USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=39 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 24 ASN : amide:sc= 1.99 K(o=3,f=-2.1) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 113 SER OG : rot -1:sc= 1.01 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= -0.0451 (180deg=-0.245) USER MOD Single : A 3 TYR OH : rot -13:sc= 0.854 USER MOD Single : A 14 MET CE :methyl -167:sc= 0 (180deg=-0.133) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 11:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ -119:sc= 0.222 (180deg=0) 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 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc=-0.00314 (180deg=-0.101) USER MOD Single : A 44 ASN : amide:sc= -4.06! C(o=-4.1!,f=-10!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -46:sc= 0.91 USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= 1.24 (180deg=1.08) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.0124) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HE2:sc= 0.206 F(o=-0.94,f=0.21) USER MOD Single : A 69 MET CE :methyl -156:sc= -1.48 (180deg=-2.96) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 72:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.635! (180deg=-1.18!) USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= 0.861 (180deg=0.259) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -78:sc= 1.15 USER MOD Single : A 96 LYS NZ :NH3+ -159:sc= -1.29 (180deg=-1.99!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 101 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 103 ASN : amide:sc= -0.0708 K(o=-0.071,f=-0.71) USER MOD Single : A 106 THR OG1 : rot -70:sc= 1.17 USER MOD Single : A 107 LYS NZ :NH3+ -114:sc= -0.159 (180deg=-0.235) USER MOD Single : A 111 LYS NZ :NH3+ -131:sc= 0.654 (180deg=-0.319) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 150:sc= 1.29 (180deg=1.2) USER MOD Single : A 121 TYR OH : rot -157:sc= 1.15 USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= -0.0386 (180deg=-0.291) USER MOD Single : A 124 MET CE :methyl -175:sc= -0.988 (180deg=-1.08) USER MOD Single : A 125 SER OG : rot -94:sc= 1.16 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00671) USER MOD Single : A 135 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.7!) USER MOD Single : A 141 LYS NZ :NH3+ 163:sc= -0.0447 (180deg=-0.314) USER MOD Single : A 145 SER OG : rot 82:sc= 0.0636 USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.02) USER MOD Single : A 150 LYS NZ :NH3+ 162:sc= -0.0883 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.865 19.469 -9.244 1.00 1.03 N ATOM 222 CA PHE A 1 3.496 18.077 -9.449 1.00 1.07 C ATOM 223 C PHE A 1 1.979 17.904 -9.409 1.00 0.89 C ATOM 224 O PHE A 1 1.309 18.353 -8.479 1.00 0.81 O ATOM 225 CB PHE A 1 4.195 17.208 -8.391 1.00 1.39 C ATOM 226 CG PHE A 1 3.416 16.005 -7.933 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.112 14.994 -8.830 1.00 1.11 C ATOM 228 CD2 PHE A 1 2.994 15.879 -6.621 1.00 1.15 C ATOM 229 CE1 PHE A 1 2.404 13.880 -8.428 1.00 1.14 C ATOM 230 CE2 PHE A 1 2.286 14.769 -6.215 1.00 1.47 C ATOM 231 CZ PHE A 1 1.964 13.806 -7.062 1.00 1.31 C ATOM 0 H1 PHE A 1 4.900 19.562 -9.275 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.442 20.054 -9.993 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.517 19.788 -8.317 1.00 1.03 H new ATOM 0 HA PHE A 1 3.825 17.755 -10.437 1.00 1.07 H new ATOM 0 HB2 PHE A 1 5.150 16.871 -8.794 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.417 17.829 -7.523 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.433 15.079 -9.858 1.00 1.11 H new ATOM 0 HD2 PHE A 1 3.222 16.658 -5.909 1.00 1.15 H new ATOM 0 HE1 PHE A 1 2.186 13.083 -9.123 1.00 1.14 H new ATOM 0 HE2 PHE A 1 1.987 14.683 -5.181 1.00 1.47 H new ATOM 0 HZ PHE A 1 1.372 12.966 -6.728 1.00 1.31 H new ATOM 241 N LYS A 2 1.448 17.250 -10.430 1.00 0.96 N ATOM 242 CA LYS A 2 0.014 17.035 -10.548 1.00 0.98 C ATOM 243 C LYS A 2 -0.291 15.544 -10.495 1.00 1.01 C ATOM 244 O LYS A 2 0.493 14.728 -10.975 1.00 1.42 O ATOM 245 CB LYS A 2 -0.496 17.619 -11.867 1.00 1.14 C ATOM 246 CG LYS A 2 -0.113 19.073 -12.088 1.00 1.62 C ATOM 247 CD LYS A 2 -0.782 19.996 -11.082 1.00 2.02 C ATOM 248 CE LYS A 2 -0.344 21.440 -11.275 1.00 2.67 C ATOM 249 NZ LYS A 2 -0.625 21.931 -12.650 1.00 3.15 N ATOM 0 H LYS A 2 1.994 16.856 -11.196 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.488 17.534 -9.719 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.107 17.022 -12.692 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.582 17.532 -11.895 1.00 1.14 H new ATOM 0 HG2 LYS A 2 0.969 19.178 -12.013 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -0.394 19.373 -13.098 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.865 19.926 -11.186 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.537 19.672 -10.070 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -0.858 22.074 -10.552 1.00 2.67 H new ATOM 0 HE3 LYS A 2 0.723 21.525 -11.071 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -0.486 22.961 -12.686 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 0.022 21.471 -13.322 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -1.607 21.705 -12.905 1.00 3.15 H new ATOM 263 N TYR A 3 -1.432 15.193 -9.917 1.00 0.91 N ATOM 264 CA TYR A 3 -1.825 13.795 -9.794 1.00 0.94 C ATOM 265 C TYR A 3 -2.282 13.263 -11.146 1.00 1.01 C ATOM 266 O TYR A 3 -2.100 12.089 -11.459 1.00 0.90 O ATOM 267 CB TYR A 3 -2.938 13.633 -8.754 1.00 1.02 C ATOM 268 CG TYR A 3 -3.378 12.200 -8.558 1.00 1.12 C ATOM 269 CD1 TYR A 3 -2.576 11.297 -7.873 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.589 11.748 -9.065 1.00 1.36 C ATOM 271 CE1 TYR A 3 -2.969 9.983 -7.699 1.00 1.62 C ATOM 272 CE2 TYR A 3 -4.988 10.436 -8.898 1.00 1.78 C ATOM 273 CZ TYR A 3 -4.175 9.558 -8.213 1.00 1.87 C ATOM 274 OH TYR A 3 -4.564 8.249 -8.051 1.00 2.35 O ATOM 0 H TYR A 3 -2.101 15.856 -9.526 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.962 13.220 -9.460 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.594 14.032 -7.800 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.798 14.230 -9.058 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -1.630 11.626 -7.470 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.230 12.434 -9.599 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -2.334 9.293 -7.163 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -5.932 10.100 -9.302 1.00 1.78 H new ATOM 0 HH TYR A 3 -3.799 7.715 -7.750 1.00 2.35 H new ATOM 284 N GLU A 4 -2.856 14.150 -11.949 1.00 1.38 N ATOM 285 CA GLU A 4 -3.279 13.800 -13.300 1.00 1.74 C ATOM 286 C GLU A 4 -2.073 13.716 -14.231 1.00 1.24 C ATOM 287 O GLU A 4 -2.197 13.334 -15.395 1.00 1.52 O ATOM 288 CB GLU A 4 -4.276 14.832 -13.830 1.00 2.44 C ATOM 289 CG GLU A 4 -5.547 14.939 -13.006 1.00 3.05 C ATOM 290 CD GLU A 4 -6.490 15.996 -13.536 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.238 17.196 -13.297 1.00 3.95 O ATOM 292 OE2 GLU A 4 -7.484 15.638 -14.198 1.00 4.16 O ATOM 0 H GLU A 4 -3.040 15.119 -11.688 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.765 12.825 -13.266 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.792 15.808 -13.861 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.540 14.574 -14.856 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -6.054 13.974 -12.998 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.289 15.171 -11.973 1.00 3.05 H new ATOM 299 N ASP A 5 -0.907 14.075 -13.707 1.00 0.71 N ATOM 300 CA ASP A 5 0.325 14.034 -14.485 1.00 0.73 C ATOM 301 C ASP A 5 1.056 12.722 -14.230 1.00 0.72 C ATOM 302 O ASP A 5 1.934 12.321 -14.996 1.00 0.90 O ATOM 303 CB ASP A 5 1.217 15.229 -14.134 1.00 1.07 C ATOM 304 CG ASP A 5 2.416 15.361 -15.050 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.269 15.951 -16.143 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.517 14.903 -14.673 1.00 2.57 O ATOM 0 H ASP A 5 -0.789 14.398 -12.747 1.00 0.71 H new ATOM 0 HA ASP A 5 0.078 14.094 -15.545 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.626 16.144 -14.184 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.562 15.128 -13.105 1.00 1.07 H new ATOM 311 N ILE A 6 0.668 12.044 -13.152 1.00 0.58 N ATOM 312 CA ILE A 6 1.215 10.735 -12.830 1.00 0.55 C ATOM 313 C ILE A 6 0.698 9.721 -13.840 1.00 0.54 C ATOM 314 O ILE A 6 -0.479 9.771 -14.213 1.00 0.58 O ATOM 315 CB ILE A 6 0.796 10.281 -11.408 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.303 11.261 -10.351 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.303 8.876 -11.104 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.911 10.873 -8.940 1.00 0.69 C ATOM 0 H ILE A 6 -0.026 12.384 -12.487 1.00 0.58 H new ATOM 0 HA ILE A 6 2.302 10.801 -12.865 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.293 10.266 -11.378 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.389 11.324 -10.415 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.912 12.255 -10.569 1.00 0.63 H new ATOM 0 HG21 ILE A 6 0.993 8.587 -10.100 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.888 8.175 -11.828 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.391 8.860 -11.166 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.302 11.610 -8.238 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.176 10.837 -8.861 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.324 9.892 -8.704 1.00 0.69 H new ATOM 325 N PRO A 7 1.574 8.815 -14.318 1.00 0.53 N ATOM 326 CA PRO A 7 1.188 7.737 -15.229 1.00 0.55 C ATOM 327 C PRO A 7 -0.131 7.088 -14.824 1.00 0.53 C ATOM 328 O PRO A 7 -0.238 6.488 -13.749 1.00 0.52 O ATOM 329 CB PRO A 7 2.341 6.751 -15.087 1.00 0.55 C ATOM 330 CG PRO A 7 3.526 7.602 -14.797 1.00 0.60 C ATOM 331 CD PRO A 7 3.017 8.780 -14.009 1.00 0.54 C ATOM 0 HA PRO A 7 1.026 8.086 -16.249 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.157 6.039 -14.282 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.482 6.172 -15.999 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.273 7.048 -14.229 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.005 7.929 -15.720 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.194 8.653 -12.941 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.512 9.704 -14.307 1.00 0.54 H new ATOM 339 N ALA A 8 -1.131 7.216 -15.687 1.00 0.55 N ATOM 340 CA ALA A 8 -2.483 6.775 -15.370 1.00 0.54 C ATOM 341 C ALA A 8 -2.573 5.261 -15.233 1.00 0.55 C ATOM 342 O ALA A 8 -3.528 4.741 -14.654 1.00 0.56 O ATOM 343 CB ALA A 8 -3.463 7.280 -16.417 1.00 0.57 C ATOM 0 H ALA A 8 -1.030 7.624 -16.616 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.749 7.201 -14.403 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.469 6.943 -16.167 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.441 8.370 -16.440 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.183 6.890 -17.396 1.00 0.57 H new ATOM 349 N ASP A 9 -1.570 4.554 -15.737 1.00 0.55 N ATOM 350 CA ASP A 9 -1.554 3.102 -15.637 1.00 0.57 C ATOM 351 C ASP A 9 -1.198 2.689 -14.212 1.00 0.54 C ATOM 352 O ASP A 9 -1.634 1.655 -13.708 1.00 0.55 O ATOM 353 CB ASP A 9 -0.563 2.489 -16.641 1.00 0.61 C ATOM 354 CG ASP A 9 0.872 2.952 -16.460 1.00 0.93 C ATOM 355 OD1 ASP A 9 1.075 4.116 -16.061 1.00 1.37 O ATOM 356 OD2 ASP A 9 1.805 2.154 -16.687 1.00 1.33 O ATOM 0 H ASP A 9 -0.764 4.958 -16.215 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.547 2.726 -15.881 1.00 0.57 H new ATOM 0 HB2 ASP A 9 -0.597 1.403 -16.551 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.888 2.735 -17.652 1.00 0.61 H new ATOM 361 N TYR A 10 -0.401 3.540 -13.573 1.00 0.52 N ATOM 362 CA TYR A 10 0.075 3.321 -12.213 1.00 0.50 C ATOM 363 C TYR A 10 -0.968 3.769 -11.194 1.00 0.49 C ATOM 364 O TYR A 10 -1.057 3.219 -10.098 1.00 0.51 O ATOM 365 CB TYR A 10 1.387 4.093 -12.018 1.00 0.52 C ATOM 366 CG TYR A 10 2.021 3.957 -10.649 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.558 2.750 -10.224 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.103 5.048 -9.794 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.153 2.634 -8.981 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.701 4.941 -8.552 1.00 0.66 C ATOM 371 CZ TYR A 10 3.222 3.731 -8.151 1.00 0.70 C ATOM 372 OH TYR A 10 3.824 3.620 -6.916 1.00 0.80 O ATOM 0 H TYR A 10 -0.065 4.408 -13.989 1.00 0.52 H new ATOM 0 HA TYR A 10 0.250 2.256 -12.058 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.103 3.755 -12.767 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.200 5.149 -12.210 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.511 1.888 -10.874 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.692 5.997 -10.105 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.562 1.687 -8.662 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.759 5.801 -7.901 1.00 0.66 H new ATOM 0 HH TYR A 10 3.790 4.485 -6.456 1.00 0.80 H new ATOM 382 N ARG A 11 -1.771 4.761 -11.568 1.00 0.48 N ATOM 383 CA ARG A 11 -2.816 5.264 -10.681 1.00 0.49 C ATOM 384 C ARG A 11 -3.931 4.231 -10.552 1.00 0.50 C ATOM 385 O ARG A 11 -4.744 4.274 -9.628 1.00 0.54 O ATOM 386 CB ARG A 11 -3.365 6.594 -11.200 1.00 0.51 C ATOM 387 CG ARG A 11 -2.420 7.766 -10.981 1.00 0.48 C ATOM 388 CD ARG A 11 -2.617 8.857 -12.024 1.00 0.60 C ATOM 389 NE ARG A 11 -4.004 9.299 -12.140 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.451 10.075 -13.130 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.619 10.480 -14.085 1.00 1.61 N ATOM 392 NH2 ARG A 11 -5.726 10.444 -13.165 1.00 1.73 N ATOM 0 H ARG A 11 -1.719 5.230 -12.472 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.388 5.438 -9.694 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.575 6.501 -12.266 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.313 6.805 -10.706 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -2.581 8.181 -9.986 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.389 7.413 -11.016 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -1.990 9.712 -11.769 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.277 8.490 -12.993 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.667 8.998 -11.426 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.639 10.198 -14.061 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.961 11.073 -14.841 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.367 10.135 -12.434 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -6.065 11.037 -13.923 1.00 1.73 H new ATOM 406 N ASP A 12 -3.938 3.297 -11.494 1.00 0.48 N ATOM 407 CA ASP A 12 -4.877 2.183 -11.499 1.00 0.50 C ATOM 408 C ASP A 12 -4.527 1.179 -10.400 1.00 0.52 C ATOM 409 O ASP A 12 -5.376 0.416 -9.947 1.00 0.62 O ATOM 410 CB ASP A 12 -4.839 1.491 -12.864 1.00 0.51 C ATOM 411 CG ASP A 12 -5.967 0.496 -13.055 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.046 0.899 -13.544 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.773 -0.696 -12.748 1.00 0.99 O ATOM 0 H ASP A 12 -3.289 3.291 -12.281 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.879 2.567 -11.310 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.890 2.245 -13.649 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.885 0.977 -12.978 1.00 0.51 H new ATOM 418 N LEU A 13 -3.266 1.191 -9.973 1.00 0.50 N ATOM 419 CA LEU A 13 -2.793 0.266 -8.944 1.00 0.53 C ATOM 420 C LEU A 13 -2.979 0.851 -7.551 1.00 0.62 C ATOM 421 O LEU A 13 -2.850 0.148 -6.550 1.00 0.93 O ATOM 422 CB LEU A 13 -1.310 -0.062 -9.156 1.00 0.49 C ATOM 423 CG LEU A 13 -0.958 -0.728 -10.488 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.534 -1.009 -10.559 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.749 -2.013 -10.671 1.00 0.88 C ATOM 0 H LEU A 13 -2.553 1.831 -10.323 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.385 -0.646 -9.027 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.738 0.862 -9.071 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.983 -0.715 -8.347 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.223 -0.045 -11.295 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.770 -1.483 -11.512 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.085 -0.073 -10.473 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.818 -1.673 -9.743 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.484 -2.471 -11.624 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.516 -2.703 -9.860 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.816 -1.788 -10.661 1.00 0.88 H new ATOM 437 N MET A 14 -3.278 2.139 -7.488 1.00 0.55 N ATOM 438 CA MET A 14 -3.412 2.825 -6.212 1.00 0.64 C ATOM 439 C MET A 14 -4.735 2.469 -5.542 1.00 0.55 C ATOM 440 O MET A 14 -5.803 2.633 -6.133 1.00 0.53 O ATOM 441 CB MET A 14 -3.317 4.341 -6.400 1.00 0.82 C ATOM 442 CG MET A 14 -1.964 4.820 -6.900 1.00 0.97 C ATOM 443 SD MET A 14 -1.880 6.617 -7.041 1.00 1.15 S ATOM 444 CE MET A 14 -0.206 6.836 -7.636 1.00 1.04 C ATOM 0 H MET A 14 -3.432 2.730 -8.305 1.00 0.55 H new ATOM 0 HA MET A 14 -2.595 2.498 -5.570 1.00 0.64 H new ATOM 0 HB2 MET A 14 -4.086 4.658 -7.105 1.00 0.82 H new ATOM 0 HB3 MET A 14 -3.535 4.829 -5.450 1.00 0.82 H new ATOM 0 HG2 MET A 14 -1.185 4.475 -6.220 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.760 4.372 -7.872 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.075 7.886 -7.554 1.00 1.04 H new ATOM 0 HE2 MET A 14 0.475 6.230 -7.038 1.00 1.04 H new ATOM 0 HE3 MET A 14 -0.147 6.525 -8.679 1.00 1.04 H new ATOM 454 N PRO A 15 -4.679 1.971 -4.296 1.00 0.62 N ATOM 455 CA PRO A 15 -5.878 1.623 -3.532 1.00 0.67 C ATOM 456 C PRO A 15 -6.633 2.870 -3.073 1.00 0.59 C ATOM 457 O PRO A 15 -6.029 3.927 -2.900 1.00 0.57 O ATOM 458 CB PRO A 15 -5.329 0.847 -2.334 1.00 0.88 C ATOM 459 CG PRO A 15 -3.931 1.336 -2.165 1.00 0.90 C ATOM 460 CD PRO A 15 -3.442 1.707 -3.541 1.00 0.74 C ATOM 0 HA PRO A 15 -6.595 1.051 -4.121 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -5.923 1.032 -1.439 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.352 -0.228 -2.516 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.898 2.196 -1.496 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.300 0.565 -1.723 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.796 2.585 -3.513 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.864 0.900 -3.991 1.00 0.74 H new ATOM 468 N PRO A 16 -7.958 2.755 -2.866 1.00 0.65 N ATOM 469 CA PRO A 16 -8.833 3.892 -2.549 1.00 0.70 C ATOM 470 C PRO A 16 -8.261 4.825 -1.484 1.00 0.71 C ATOM 471 O PRO A 16 -8.137 6.028 -1.712 1.00 0.74 O ATOM 472 CB PRO A 16 -10.131 3.233 -2.053 1.00 0.85 C ATOM 473 CG PRO A 16 -9.838 1.770 -1.958 1.00 0.96 C ATOM 474 CD PRO A 16 -8.720 1.506 -2.921 1.00 0.76 C ATOM 0 HA PRO A 16 -8.970 4.533 -3.420 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.428 3.635 -1.085 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.953 3.423 -2.743 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -9.551 1.495 -0.943 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.718 1.179 -2.211 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.118 0.649 -2.620 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -9.089 1.299 -3.925 1.00 0.76 H new ATOM 482 N GLU A 17 -7.897 4.266 -0.340 1.00 0.78 N ATOM 483 CA GLU A 17 -7.362 5.054 0.767 1.00 0.89 C ATOM 484 C GLU A 17 -6.083 5.797 0.364 1.00 0.84 C ATOM 485 O GLU A 17 -5.878 6.946 0.745 1.00 1.13 O ATOM 486 CB GLU A 17 -7.108 4.148 1.973 1.00 1.09 C ATOM 487 CG GLU A 17 -8.366 3.439 2.449 1.00 1.48 C ATOM 488 CD GLU A 17 -8.129 2.504 3.616 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.747 1.341 3.380 1.00 1.65 O ATOM 490 OE2 GLU A 17 -8.370 2.910 4.768 1.00 1.83 O ATOM 0 H GLU A 17 -7.962 3.266 -0.151 1.00 0.78 H new ATOM 0 HA GLU A 17 -8.101 5.808 1.038 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.354 3.405 1.712 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.700 4.743 2.790 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -9.107 4.185 2.736 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -8.789 2.872 1.620 1.00 1.48 H new ATOM 497 N ALA A 18 -5.242 5.156 -0.434 1.00 0.72 N ATOM 498 CA ALA A 18 -3.997 5.777 -0.875 1.00 0.73 C ATOM 499 C ALA A 18 -4.257 6.821 -1.956 1.00 0.62 C ATOM 500 O ALA A 18 -3.489 7.773 -2.110 1.00 0.72 O ATOM 501 CB ALA A 18 -3.023 4.723 -1.378 1.00 0.82 C ATOM 0 H ALA A 18 -5.395 4.212 -0.789 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.552 6.282 -0.018 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.101 5.205 -1.702 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.802 4.019 -0.575 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.467 4.188 -2.217 1.00 0.82 H new ATOM 507 N ARG A 19 -5.338 6.632 -2.705 1.00 0.52 N ATOM 508 CA ARG A 19 -5.730 7.589 -3.729 1.00 0.49 C ATOM 509 C ARG A 19 -6.313 8.834 -3.093 1.00 0.50 C ATOM 510 O ARG A 19 -5.962 9.941 -3.477 1.00 0.52 O ATOM 511 CB ARG A 19 -6.770 6.997 -4.682 1.00 0.52 C ATOM 512 CG ARG A 19 -6.284 5.796 -5.465 1.00 0.64 C ATOM 513 CD ARG A 19 -7.321 5.339 -6.479 1.00 0.72 C ATOM 514 NE ARG A 19 -8.624 5.077 -5.864 1.00 1.01 N ATOM 515 CZ ARG A 19 -9.313 3.947 -6.022 1.00 1.43 C ATOM 516 NH1 ARG A 19 -8.803 2.938 -6.717 1.00 1.46 N ATOM 517 NH2 ARG A 19 -10.511 3.823 -5.469 1.00 2.16 N ATOM 0 H ARG A 19 -5.957 5.825 -2.621 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.832 7.840 -4.294 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.650 6.710 -4.107 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -7.085 7.770 -5.383 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -5.356 6.046 -5.979 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -6.059 4.979 -4.779 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -7.433 6.102 -7.250 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -6.967 4.435 -6.974 1.00 0.72 H new ATOM 0 HE ARG A 19 -9.030 5.806 -5.277 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.877 3.024 -7.135 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -9.337 2.077 -6.833 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -10.903 4.591 -4.924 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -11.041 2.960 -5.588 1.00 2.16 H new ATOM 531 N ASP A 20 -7.187 8.627 -2.110 1.00 0.53 N ATOM 532 CA ASP A 20 -7.959 9.708 -1.490 1.00 0.57 C ATOM 533 C ASP A 20 -7.069 10.892 -1.126 1.00 0.56 C ATOM 534 O ASP A 20 -7.411 12.042 -1.393 1.00 0.57 O ATOM 535 CB ASP A 20 -8.677 9.194 -0.241 1.00 0.63 C ATOM 536 CG ASP A 20 -9.768 10.134 0.232 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.867 10.111 -0.360 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.539 10.889 1.203 1.00 0.98 O ATOM 0 H ASP A 20 -7.382 7.705 -1.719 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.696 10.050 -2.217 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.111 8.217 -0.452 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.951 9.054 0.560 1.00 0.63 H new ATOM 543 N PHE A 21 -5.921 10.596 -0.534 1.00 0.57 N ATOM 544 CA PHE A 21 -4.946 11.618 -0.179 1.00 0.57 C ATOM 545 C PHE A 21 -4.461 12.391 -1.414 1.00 0.55 C ATOM 546 O PHE A 21 -4.778 13.565 -1.542 1.00 0.64 O ATOM 547 CB PHE A 21 -3.780 10.988 0.591 1.00 0.60 C ATOM 548 CG PHE A 21 -2.864 11.983 1.246 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.322 12.778 2.284 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.549 12.118 0.832 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.486 13.692 2.895 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.709 13.031 1.442 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.178 13.818 2.475 1.00 0.63 C ATOM 0 H PHE A 21 -5.640 9.647 -0.287 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.432 12.345 0.472 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.182 10.323 1.355 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.198 10.372 -0.094 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.344 12.682 2.619 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.176 11.504 0.025 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -2.856 14.308 3.701 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.314 13.129 1.110 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.522 14.531 2.953 1.00 0.63 H new ATOM 563 N LEU A 22 -3.734 11.773 -2.332 1.00 0.56 N ATOM 564 CA LEU A 22 -3.217 12.519 -3.495 1.00 0.55 C ATOM 565 C LEU A 22 -4.324 12.914 -4.477 1.00 0.54 C ATOM 566 O LEU A 22 -4.083 13.712 -5.384 1.00 0.57 O ATOM 567 CB LEU A 22 -2.112 11.752 -4.217 1.00 0.56 C ATOM 568 CG LEU A 22 -0.723 11.868 -3.604 1.00 0.65 C ATOM 569 CD1 LEU A 22 0.245 10.930 -4.306 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.234 13.303 -3.703 1.00 1.13 C ATOM 0 H LEU A 22 -3.487 10.784 -2.308 1.00 0.56 H new ATOM 0 HA LEU A 22 -2.789 13.438 -3.096 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.388 10.698 -4.251 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.065 12.102 -5.248 1.00 0.56 H new ATOM 0 HG LEU A 22 -0.776 11.584 -2.553 1.00 0.65 H new ATOM 0 HD11 LEU A 22 1.234 11.024 -3.857 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.104 9.903 -4.202 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.301 11.189 -5.363 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.760 13.380 -3.263 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.191 13.601 -4.751 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -0.920 13.959 -3.167 1.00 1.13 H new ATOM 582 N GLN A 23 -5.511 12.376 -4.306 1.00 0.52 N ATOM 583 CA GLN A 23 -6.695 12.929 -4.948 1.00 0.52 C ATOM 584 C GLN A 23 -6.999 14.315 -4.369 1.00 0.53 C ATOM 585 O GLN A 23 -7.348 15.247 -5.093 1.00 0.54 O ATOM 586 CB GLN A 23 -7.886 11.999 -4.714 1.00 0.53 C ATOM 587 CG GLN A 23 -9.148 12.418 -5.442 1.00 0.78 C ATOM 588 CD GLN A 23 -10.306 11.477 -5.177 1.00 1.38 C ATOM 589 OE1 GLN A 23 -11.083 11.676 -4.245 1.00 2.05 O ATOM 590 NE2 GLN A 23 -10.415 10.433 -5.981 1.00 2.06 N ATOM 0 H GLN A 23 -5.688 11.555 -3.728 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.514 13.021 -6.019 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.615 10.992 -5.029 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.094 11.953 -3.645 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.425 13.426 -5.134 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -8.951 12.455 -6.513 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -9.749 10.304 -6.743 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.165 9.756 -5.839 1.00 2.06 H new ATOM 599 N ASN A 24 -6.843 14.429 -3.054 1.00 0.58 N ATOM 600 CA ASN A 24 -7.115 15.666 -2.328 1.00 0.65 C ATOM 601 C ASN A 24 -6.028 16.710 -2.550 1.00 0.60 C ATOM 602 O ASN A 24 -6.327 17.875 -2.819 1.00 0.63 O ATOM 603 CB ASN A 24 -7.255 15.383 -0.829 1.00 0.85 C ATOM 604 CG ASN A 24 -8.690 15.141 -0.404 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.381 16.062 0.025 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.146 13.904 -0.510 1.00 1.21 N ATOM 0 H ASN A 24 -6.523 13.664 -2.459 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.051 16.067 -2.716 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.654 14.511 -0.572 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -6.852 16.225 -0.267 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -10.103 13.687 -0.231 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.541 13.167 -0.871 1.00 1.21 H new ATOM 613 N LEU A 25 -4.768 16.307 -2.409 1.00 0.60 N ATOM 614 CA LEU A 25 -3.649 17.224 -2.580 1.00 0.65 C ATOM 615 C LEU A 25 -3.638 17.850 -3.962 1.00 0.64 C ATOM 616 O LEU A 25 -3.903 17.194 -4.967 1.00 0.64 O ATOM 617 CB LEU A 25 -2.316 16.520 -2.336 1.00 0.76 C ATOM 618 CG LEU A 25 -1.951 16.245 -0.882 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.871 17.534 -0.103 1.00 0.81 C ATOM 620 CD2 LEU A 25 -2.929 15.302 -0.227 1.00 1.05 C ATOM 0 H LEU A 25 -4.498 15.351 -2.177 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.780 18.014 -1.841 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.328 15.570 -2.871 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.524 17.125 -2.779 1.00 0.76 H new ATOM 0 HG LEU A 25 -0.973 15.765 -0.878 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.609 17.318 0.933 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.109 18.178 -0.543 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.836 18.039 -0.135 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.633 15.132 0.808 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.928 15.738 -0.252 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -2.934 14.353 -0.763 1.00 1.05 H new ATOM 632 N SER A 26 -3.299 19.127 -3.986 1.00 0.73 N ATOM 633 CA SER A 26 -3.212 19.882 -5.216 1.00 0.83 C ATOM 634 C SER A 26 -1.999 20.805 -5.163 1.00 1.02 C ATOM 635 O SER A 26 -1.157 20.679 -4.267 1.00 1.78 O ATOM 636 CB SER A 26 -4.501 20.680 -5.434 1.00 0.93 C ATOM 637 OG SER A 26 -4.828 21.466 -4.295 1.00 1.72 O ATOM 0 H SER A 26 -3.077 19.667 -3.150 1.00 0.73 H new ATOM 0 HA SER A 26 -3.092 19.199 -6.057 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.386 21.328 -6.303 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.321 19.996 -5.652 1.00 0.93 H new ATOM 0 HG SER A 26 -4.069 21.474 -3.675 1.00 1.72 H new ATOM 643 N ASP A 27 -1.897 21.718 -6.118 1.00 0.96 N ATOM 644 CA ASP A 27 -0.824 22.704 -6.115 1.00 1.11 C ATOM 645 C ASP A 27 -0.916 23.563 -4.857 1.00 1.13 C ATOM 646 O ASP A 27 -2.001 23.757 -4.305 1.00 1.95 O ATOM 647 CB ASP A 27 -0.889 23.578 -7.369 1.00 1.42 C ATOM 648 CG ASP A 27 -2.151 24.414 -7.439 1.00 1.84 C ATOM 649 OD1 ASP A 27 -3.208 23.877 -7.830 1.00 2.19 O ATOM 650 OD2 ASP A 27 -2.094 25.612 -7.094 1.00 2.39 O ATOM 0 H ASP A 27 -2.542 21.797 -6.904 1.00 0.96 H new ATOM 0 HA ASP A 27 0.133 22.182 -6.118 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -0.021 24.237 -7.392 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -0.831 22.942 -8.253 1.00 1.42 H new ATOM 655 N GLY A 28 0.218 24.056 -4.392 1.00 0.93 N ATOM 656 CA GLY A 28 0.246 24.777 -3.136 1.00 0.87 C ATOM 657 C GLY A 28 0.439 23.836 -1.965 1.00 0.75 C ATOM 658 O GLY A 28 1.363 24.001 -1.167 1.00 0.73 O ATOM 0 H GLY A 28 1.120 23.971 -4.860 1.00 0.93 H new ATOM 0 HA2 GLY A 28 1.053 25.510 -3.153 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -0.685 25.330 -3.011 1.00 0.87 H new ATOM 662 N ASP A 29 -0.420 22.827 -1.878 1.00 0.70 N ATOM 663 CA ASP A 29 -0.318 21.817 -0.829 1.00 0.67 C ATOM 664 C ASP A 29 0.949 21.005 -1.028 1.00 0.59 C ATOM 665 O ASP A 29 1.697 20.743 -0.091 1.00 0.60 O ATOM 666 CB ASP A 29 -1.520 20.866 -0.856 1.00 0.80 C ATOM 667 CG ASP A 29 -2.856 21.571 -0.917 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.222 22.233 0.078 1.00 1.74 O ATOM 669 OD2 ASP A 29 -3.541 21.476 -1.957 1.00 2.25 O ATOM 0 H ASP A 29 -1.197 22.686 -2.523 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.297 22.331 0.132 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.429 20.205 -1.718 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.493 20.236 0.033 1.00 0.80 H new ATOM 674 N LYS A 30 1.185 20.620 -2.272 1.00 0.63 N ATOM 675 CA LYS A 30 2.362 19.839 -2.624 1.00 0.65 C ATOM 676 C LYS A 30 3.619 20.700 -2.557 1.00 0.61 C ATOM 677 O LYS A 30 4.738 20.191 -2.576 1.00 0.65 O ATOM 678 CB LYS A 30 2.175 19.239 -4.014 1.00 0.78 C ATOM 679 CG LYS A 30 0.972 18.314 -4.093 1.00 0.92 C ATOM 680 CD LYS A 30 0.621 17.970 -5.527 1.00 0.89 C ATOM 681 CE LYS A 30 -0.583 17.049 -5.600 1.00 0.96 C ATOM 682 NZ LYS A 30 -0.904 16.668 -6.999 1.00 1.31 N ATOM 0 H LYS A 30 0.574 20.837 -3.059 1.00 0.63 H new ATOM 0 HA LYS A 30 2.485 19.027 -1.907 1.00 0.65 H new ATOM 0 HB2 LYS A 30 2.059 20.043 -4.740 1.00 0.78 H new ATOM 0 HB3 LYS A 30 3.073 18.686 -4.291 1.00 0.78 H new ATOM 0 HG2 LYS A 30 1.180 17.398 -3.540 1.00 0.92 H new ATOM 0 HG3 LYS A 30 0.116 18.789 -3.613 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.414 18.885 -6.082 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.475 17.493 -6.007 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.389 16.150 -5.014 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.445 17.542 -5.151 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.861 16.998 -7.238 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -0.216 17.105 -7.645 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.860 15.633 -7.096 1.00 1.31 H new ATOM 696 N THR A 31 3.421 22.006 -2.461 1.00 0.60 N ATOM 697 CA THR A 31 4.519 22.938 -2.298 1.00 0.61 C ATOM 698 C THR A 31 5.020 22.895 -0.861 1.00 0.52 C ATOM 699 O THR A 31 6.226 22.862 -0.604 1.00 0.54 O ATOM 700 CB THR A 31 4.065 24.370 -2.632 1.00 0.68 C ATOM 701 OG1 THR A 31 3.414 24.388 -3.911 1.00 0.80 O ATOM 702 CG2 THR A 31 5.246 25.330 -2.645 1.00 0.76 C ATOM 0 H THR A 31 2.501 22.444 -2.494 1.00 0.60 H new ATOM 0 HA THR A 31 5.320 22.651 -2.979 1.00 0.61 H new ATOM 0 HB THR A 31 3.367 24.695 -1.860 1.00 0.68 H new ATOM 0 HG1 THR A 31 3.125 25.301 -4.118 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.896 26.334 -2.884 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.722 25.335 -1.664 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.967 25.009 -3.396 1.00 0.76 H new ATOM 710 N VAL A 32 4.077 22.869 0.070 1.00 0.50 N ATOM 711 CA VAL A 32 4.403 22.848 1.482 1.00 0.50 C ATOM 712 C VAL A 32 4.797 21.433 1.921 1.00 0.47 C ATOM 713 O VAL A 32 5.606 21.263 2.833 1.00 0.48 O ATOM 714 CB VAL A 32 3.225 23.392 2.325 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.107 22.377 2.455 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.701 23.845 3.687 1.00 0.85 C ATOM 0 H VAL A 32 3.077 22.862 -0.132 1.00 0.50 H new ATOM 0 HA VAL A 32 5.259 23.502 1.650 1.00 0.50 H new ATOM 0 HB VAL A 32 2.820 24.255 1.797 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.300 22.799 3.054 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.729 22.123 1.465 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.487 21.478 2.940 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.855 24.223 4.261 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.150 23.003 4.214 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.442 24.636 3.569 1.00 0.85 H new ATOM 720 N LEU A 33 4.231 20.421 1.255 1.00 0.48 N ATOM 721 CA LEU A 33 4.656 19.038 1.436 1.00 0.49 C ATOM 722 C LEU A 33 6.146 18.891 1.162 1.00 0.50 C ATOM 723 O LEU A 33 6.861 18.216 1.903 1.00 0.54 O ATOM 724 CB LEU A 33 3.867 18.118 0.498 1.00 0.53 C ATOM 725 CG LEU A 33 2.467 17.742 0.979 1.00 0.58 C ATOM 726 CD1 LEU A 33 1.630 17.197 -0.165 1.00 0.98 C ATOM 727 CD2 LEU A 33 2.560 16.709 2.081 1.00 0.74 C ATOM 0 H LEU A 33 3.473 20.540 0.583 1.00 0.48 H new ATOM 0 HA LEU A 33 4.461 18.754 2.470 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.781 18.604 -0.474 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.440 17.203 0.347 1.00 0.53 H new ATOM 0 HG LEU A 33 1.985 18.641 1.363 1.00 0.58 H new ATOM 0 HD11 LEU A 33 0.637 16.936 0.202 1.00 0.98 H new ATOM 0 HD12 LEU A 33 1.541 17.954 -0.944 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.110 16.309 -0.576 1.00 0.98 H new ATOM 0 HD21 LEU A 33 1.558 16.446 2.419 1.00 0.74 H new ATOM 0 HD22 LEU A 33 3.061 15.818 1.703 1.00 0.74 H new ATOM 0 HD23 LEU A 33 3.129 17.118 2.916 1.00 0.74 H new ATOM 739 N LYS A 34 6.607 19.541 0.102 1.00 0.51 N ATOM 740 CA LYS A 34 8.011 19.489 -0.295 1.00 0.56 C ATOM 741 C LYS A 34 8.920 19.898 0.861 1.00 0.53 C ATOM 742 O LYS A 34 9.927 19.248 1.129 1.00 0.59 O ATOM 743 CB LYS A 34 8.238 20.403 -1.502 1.00 0.65 C ATOM 744 CG LYS A 34 9.673 20.437 -2.000 1.00 0.93 C ATOM 745 CD LYS A 34 9.850 21.430 -3.138 1.00 0.89 C ATOM 746 CE LYS A 34 8.970 21.090 -4.331 1.00 1.70 C ATOM 747 NZ LYS A 34 9.114 22.084 -5.425 1.00 2.41 N ATOM 0 H LYS A 34 6.024 20.117 -0.505 1.00 0.51 H new ATOM 0 HA LYS A 34 8.259 18.464 -0.569 1.00 0.56 H new ATOM 0 HB2 LYS A 34 7.591 20.077 -2.316 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.933 21.416 -1.238 1.00 0.65 H new ATOM 0 HG2 LYS A 34 10.337 20.703 -1.178 1.00 0.93 H new ATOM 0 HG3 LYS A 34 9.965 19.442 -2.336 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.611 22.433 -2.785 1.00 0.89 H new ATOM 0 HD3 LYS A 34 10.894 21.443 -3.449 1.00 0.89 H new ATOM 0 HE2 LYS A 34 9.230 20.099 -4.704 1.00 1.70 H new ATOM 0 HE3 LYS A 34 7.928 21.048 -4.014 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 8.498 21.817 -6.220 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 8.842 23.025 -5.077 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 10.103 22.106 -5.746 1.00 2.41 H new ATOM 761 N GLU A 35 8.517 20.939 1.575 1.00 0.47 N ATOM 762 CA GLU A 35 9.317 21.488 2.664 1.00 0.47 C ATOM 763 C GLU A 35 9.363 20.539 3.860 1.00 0.46 C ATOM 764 O GLU A 35 10.212 20.675 4.738 1.00 0.57 O ATOM 765 CB GLU A 35 8.761 22.844 3.094 1.00 0.47 C ATOM 766 CG GLU A 35 8.640 23.839 1.953 1.00 0.61 C ATOM 767 CD GLU A 35 8.432 25.259 2.435 1.00 1.26 C ATOM 768 OE1 GLU A 35 7.325 25.567 2.923 1.00 1.96 O ATOM 769 OE2 GLU A 35 9.376 26.074 2.341 1.00 1.47 O ATOM 0 H GLU A 35 7.634 21.425 1.419 1.00 0.47 H new ATOM 0 HA GLU A 35 10.336 21.615 2.297 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.779 22.699 3.544 1.00 0.47 H new ATOM 0 HB3 GLU A 35 9.406 23.264 3.865 1.00 0.47 H new ATOM 0 HG2 GLU A 35 9.541 23.796 1.342 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.806 23.551 1.313 1.00 0.61 H new ATOM 776 N VAL A 36 8.449 19.584 3.888 1.00 0.41 N ATOM 777 CA VAL A 36 8.441 18.556 4.918 1.00 0.42 C ATOM 778 C VAL A 36 9.344 17.397 4.492 1.00 0.50 C ATOM 779 O VAL A 36 10.246 16.981 5.222 1.00 0.62 O ATOM 780 CB VAL A 36 7.000 18.041 5.158 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.958 16.967 6.233 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.078 19.194 5.523 1.00 0.74 C ATOM 0 H VAL A 36 7.697 19.498 3.204 1.00 0.41 H new ATOM 0 HA VAL A 36 8.815 18.985 5.848 1.00 0.42 H new ATOM 0 HB VAL A 36 6.652 17.590 4.228 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.930 16.631 6.372 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.577 16.123 5.929 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.336 17.375 7.170 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.069 18.815 5.688 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.439 19.674 6.432 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.064 19.920 4.710 1.00 0.74 H new ATOM 786 N PHE A 37 9.087 16.915 3.289 1.00 0.49 N ATOM 787 CA PHE A 37 9.834 15.839 2.656 1.00 0.54 C ATOM 788 C PHE A 37 11.331 16.098 2.485 1.00 0.59 C ATOM 789 O PHE A 37 12.133 15.250 2.870 1.00 0.66 O ATOM 790 CB PHE A 37 9.169 15.543 1.320 1.00 0.57 C ATOM 791 CG PHE A 37 7.947 14.698 1.544 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.713 15.295 1.734 1.00 0.74 C ATOM 793 CD2 PHE A 37 8.015 13.317 1.499 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.573 14.529 1.887 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.879 12.546 1.639 1.00 0.68 C ATOM 796 CZ PHE A 37 5.720 13.123 2.081 1.00 0.71 C ATOM 0 H PHE A 37 8.329 17.272 2.706 1.00 0.49 H new ATOM 0 HA PHE A 37 9.800 14.979 3.324 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.894 16.474 0.824 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.866 15.025 0.662 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.640 16.372 1.763 1.00 0.74 H new ATOM 0 HD2 PHE A 37 8.971 12.835 1.352 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.594 14.984 1.860 1.00 0.83 H new ATOM 0 HE2 PHE A 37 6.905 11.493 1.401 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.947 12.538 2.558 1.00 0.71 H new ATOM 806 N LYS A 38 11.733 17.238 1.925 1.00 0.60 N ATOM 807 CA LYS A 38 13.166 17.473 1.718 1.00 0.69 C ATOM 808 C LYS A 38 13.821 18.084 2.950 1.00 0.78 C ATOM 809 O LYS A 38 14.906 18.664 2.878 1.00 1.02 O ATOM 810 CB LYS A 38 13.461 18.313 0.475 1.00 0.75 C ATOM 811 CG LYS A 38 12.688 19.605 0.395 1.00 0.76 C ATOM 812 CD LYS A 38 13.298 20.553 -0.623 1.00 0.91 C ATOM 813 CE LYS A 38 13.431 19.899 -1.987 1.00 1.37 C ATOM 814 NZ LYS A 38 14.186 20.751 -2.942 1.00 2.18 N ATOM 0 H LYS A 38 11.116 17.989 1.616 1.00 0.60 H new ATOM 0 HA LYS A 38 13.606 16.490 1.548 1.00 0.69 H new ATOM 0 HB2 LYS A 38 14.527 18.540 0.450 1.00 0.75 H new ATOM 0 HB3 LYS A 38 13.241 17.717 -0.411 1.00 0.75 H new ATOM 0 HG2 LYS A 38 11.653 19.395 0.125 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.671 20.082 1.375 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.679 21.446 -0.706 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.280 20.877 -0.277 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.936 18.939 -1.881 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.439 19.695 -2.389 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 14.254 20.267 -3.860 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.692 21.658 -3.064 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 15.142 20.925 -2.571 1.00 2.18 H new ATOM 828 N ALA A 39 13.143 17.960 4.074 1.00 0.71 N ATOM 829 CA ALA A 39 13.719 18.278 5.366 1.00 0.87 C ATOM 830 C ALA A 39 13.942 16.994 6.149 1.00 0.82 C ATOM 831 O ALA A 39 15.062 16.477 6.163 1.00 1.56 O ATOM 832 CB ALA A 39 12.835 19.247 6.138 1.00 1.06 C ATOM 0 H ALA A 39 12.177 17.636 4.117 1.00 0.71 H new ATOM 0 HA ALA A 39 14.679 18.771 5.215 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.292 19.467 7.103 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.724 20.170 5.570 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.854 18.798 6.295 1.00 1.06 H new ATOM 838 N GLY A 40 12.880 16.450 6.736 1.00 0.78 N ATOM 839 CA GLY A 40 13.009 15.270 7.578 1.00 1.03 C ATOM 840 C GLY A 40 14.183 15.349 8.548 1.00 1.29 C ATOM 841 O GLY A 40 14.567 16.440 8.974 1.00 1.54 O ATOM 0 H GLY A 40 11.928 16.806 6.644 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.087 15.133 8.144 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.128 14.391 6.945 1.00 1.03 H new ATOM 845 N PRO A 41 14.766 14.205 8.935 1.00 1.37 N ATOM 846 CA PRO A 41 14.260 12.882 8.604 1.00 1.22 C ATOM 847 C PRO A 41 13.272 12.388 9.654 1.00 1.09 C ATOM 848 O PRO A 41 13.389 12.707 10.837 1.00 1.18 O ATOM 849 CB PRO A 41 15.523 12.010 8.580 1.00 1.37 C ATOM 850 CG PRO A 41 16.618 12.832 9.198 1.00 1.60 C ATOM 851 CD PRO A 41 15.997 14.103 9.714 1.00 1.68 C ATOM 0 HA PRO A 41 13.713 12.864 7.661 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.368 11.087 9.138 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.779 11.726 7.559 1.00 1.37 H new ATOM 0 HG2 PRO A 41 17.098 12.283 10.009 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.391 13.055 8.463 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.795 14.048 10.784 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.647 14.963 9.556 1.00 1.68 H new ATOM 859 N TYR A 42 12.292 11.623 9.206 1.00 0.99 N ATOM 860 CA TYR A 42 11.222 11.169 10.074 1.00 0.92 C ATOM 861 C TYR A 42 11.218 9.651 10.168 1.00 0.97 C ATOM 862 O TYR A 42 10.970 8.951 9.184 1.00 1.08 O ATOM 863 CB TYR A 42 9.873 11.672 9.553 1.00 0.85 C ATOM 864 CG TYR A 42 9.842 13.165 9.300 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.069 14.067 10.332 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.577 13.672 8.034 1.00 0.99 C ATOM 867 CE1 TYR A 42 10.032 15.429 10.109 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.540 15.032 7.803 1.00 1.10 C ATOM 869 CZ TYR A 42 9.804 15.906 8.834 1.00 1.12 C ATOM 870 OH TYR A 42 9.728 17.264 8.619 1.00 1.28 O ATOM 0 H TYR A 42 12.216 11.302 8.241 1.00 0.99 H new ATOM 0 HA TYR A 42 11.388 11.575 11.072 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.632 11.150 8.627 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.096 11.417 10.274 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.278 13.697 11.325 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.397 12.990 7.216 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.181 16.117 10.928 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.305 15.409 6.819 1.00 1.10 H new ATOM 0 HH TYR A 42 9.564 17.436 7.668 1.00 1.28 H new ATOM 880 N LYS A 43 11.507 9.155 11.361 1.00 0.96 N ATOM 881 CA LYS A 43 11.505 7.724 11.641 1.00 1.01 C ATOM 882 C LYS A 43 10.082 7.175 11.705 1.00 0.98 C ATOM 883 O LYS A 43 9.881 5.964 11.802 1.00 1.06 O ATOM 884 CB LYS A 43 12.229 7.457 12.966 1.00 1.10 C ATOM 885 CG LYS A 43 11.593 8.133 14.168 1.00 1.72 C ATOM 886 CD LYS A 43 12.508 8.097 15.382 1.00 2.26 C ATOM 887 CE LYS A 43 12.684 6.688 15.922 1.00 2.94 C ATOM 888 NZ LYS A 43 11.432 6.158 16.527 1.00 3.51 N ATOM 0 H LYS A 43 11.750 9.733 12.165 1.00 0.96 H new ATOM 0 HA LYS A 43 12.026 7.215 10.830 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.259 6.382 13.141 1.00 1.10 H new ATOM 0 HB3 LYS A 43 13.262 7.794 12.878 1.00 1.10 H new ATOM 0 HG2 LYS A 43 11.357 9.168 13.921 1.00 1.72 H new ATOM 0 HG3 LYS A 43 10.651 7.639 14.407 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.482 8.507 15.114 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.098 8.736 16.164 1.00 2.26 H new ATOM 0 HE2 LYS A 43 13.003 6.029 15.115 1.00 2.94 H new ATOM 0 HE3 LYS A 43 13.477 6.684 16.670 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 11.641 5.280 17.044 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 11.039 6.862 17.184 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 10.740 5.961 15.776 1.00 3.51 H new ATOM 902 N ASN A 44 9.098 8.061 11.653 1.00 0.88 N ATOM 903 CA ASN A 44 7.702 7.660 11.729 1.00 0.85 C ATOM 904 C ASN A 44 6.836 8.642 10.945 1.00 0.80 C ATOM 905 O ASN A 44 7.261 9.764 10.655 1.00 0.85 O ATOM 906 CB ASN A 44 7.245 7.613 13.190 1.00 0.89 C ATOM 907 CG ASN A 44 7.374 8.959 13.872 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.455 9.766 13.846 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.519 9.208 14.482 1.00 1.10 N ATOM 0 H ASN A 44 9.242 9.066 11.558 1.00 0.88 H new ATOM 0 HA ASN A 44 7.597 6.666 11.295 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.207 7.283 13.234 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.837 6.875 13.731 1.00 0.89 H new ATOM 0 HD21 ASN A 44 8.661 10.101 14.955 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.261 8.508 14.480 1.00 1.10 H new ATOM 916 N THR A 45 5.622 8.220 10.613 1.00 0.77 N ATOM 917 CA THR A 45 4.708 9.044 9.835 1.00 0.76 C ATOM 918 C THR A 45 4.142 10.182 10.686 1.00 0.74 C ATOM 919 O THR A 45 3.814 11.249 10.170 1.00 0.92 O ATOM 920 CB THR A 45 3.552 8.194 9.274 1.00 0.84 C ATOM 921 OG1 THR A 45 4.080 7.025 8.631 1.00 1.05 O ATOM 922 CG2 THR A 45 2.721 8.986 8.273 1.00 1.18 C ATOM 0 H THR A 45 5.247 7.307 10.872 1.00 0.77 H new ATOM 0 HA THR A 45 5.271 9.471 9.005 1.00 0.76 H new ATOM 0 HB THR A 45 2.909 7.906 10.106 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.343 6.485 8.277 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.913 8.360 7.895 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.300 9.864 8.763 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.354 9.302 7.444 1.00 1.18 H new ATOM 930 N GLU A 46 4.057 9.951 11.992 1.00 0.72 N ATOM 931 CA GLU A 46 3.515 10.937 12.924 1.00 0.71 C ATOM 932 C GLU A 46 4.321 12.236 12.882 1.00 0.66 C ATOM 933 O GLU A 46 3.754 13.324 12.903 1.00 0.65 O ATOM 934 CB GLU A 46 3.500 10.365 14.342 1.00 0.79 C ATOM 935 CG GLU A 46 2.737 9.054 14.452 1.00 1.41 C ATOM 936 CD GLU A 46 2.768 8.471 15.848 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.730 7.742 16.173 1.00 2.24 O ATOM 938 OE2 GLU A 46 1.828 8.732 16.631 1.00 2.12 O ATOM 0 H GLU A 46 4.359 9.082 12.433 1.00 0.72 H new ATOM 0 HA GLU A 46 2.493 11.167 12.623 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.526 10.209 14.675 1.00 0.79 H new ATOM 0 HB3 GLU A 46 3.053 11.095 15.017 1.00 0.79 H new ATOM 0 HG2 GLU A 46 1.701 9.216 14.154 1.00 1.41 H new ATOM 0 HG3 GLU A 46 3.161 8.333 13.753 1.00 1.41 H new ATOM 945 N GLU A 47 5.643 12.113 12.803 1.00 0.67 N ATOM 946 CA GLU A 47 6.521 13.276 12.688 1.00 0.67 C ATOM 947 C GLU A 47 6.255 14.041 11.394 1.00 0.60 C ATOM 948 O GLU A 47 6.340 15.270 11.360 1.00 0.58 O ATOM 949 CB GLU A 47 7.991 12.859 12.752 1.00 0.73 C ATOM 950 CG GLU A 47 8.504 12.614 14.161 1.00 0.98 C ATOM 951 CD GLU A 47 10.007 12.431 14.206 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.743 13.424 14.032 1.00 2.03 O ATOM 953 OE2 GLU A 47 10.466 11.288 14.418 1.00 2.26 O ATOM 0 H GLU A 47 6.132 11.218 12.816 1.00 0.67 H new ATOM 0 HA GLU A 47 6.305 13.933 13.530 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.126 11.951 12.164 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.598 13.634 12.285 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.224 13.453 14.798 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.021 11.727 14.571 1.00 0.98 H new ATOM 960 N SER A 48 5.927 13.313 10.334 1.00 0.58 N ATOM 961 CA SER A 48 5.606 13.931 9.057 1.00 0.54 C ATOM 962 C SER A 48 4.270 14.662 9.152 1.00 0.51 C ATOM 963 O SER A 48 4.113 15.771 8.641 1.00 0.49 O ATOM 964 CB SER A 48 5.558 12.867 7.957 1.00 0.57 C ATOM 965 OG SER A 48 6.765 12.119 7.917 1.00 1.19 O ATOM 0 H SER A 48 5.877 12.294 10.335 1.00 0.58 H new ATOM 0 HA SER A 48 6.381 14.655 8.806 1.00 0.54 H new ATOM 0 HB2 SER A 48 4.717 12.197 8.132 1.00 0.57 H new ATOM 0 HB3 SER A 48 5.390 13.345 6.992 1.00 0.57 H new ATOM 0 HG SER A 48 7.530 12.730 7.960 1.00 1.19 H new ATOM 971 N ILE A 49 3.319 14.033 9.833 1.00 0.51 N ATOM 972 CA ILE A 49 2.009 14.627 10.056 1.00 0.49 C ATOM 973 C ILE A 49 2.136 15.869 10.928 1.00 0.49 C ATOM 974 O ILE A 49 1.518 16.895 10.664 1.00 0.47 O ATOM 975 CB ILE A 49 1.055 13.617 10.728 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.879 12.389 9.833 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.289 14.267 11.021 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.025 11.305 10.447 1.00 0.55 C ATOM 0 H ILE A 49 3.434 13.106 10.242 1.00 0.51 H new ATOM 0 HA ILE A 49 1.595 14.907 9.087 1.00 0.49 H new ATOM 0 HB ILE A 49 1.490 13.298 11.675 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.432 12.700 8.889 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.861 11.977 9.600 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.949 13.540 11.495 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.145 15.116 11.689 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.738 14.611 10.089 1.00 0.50 H new ATOM 0 HD11 ILE A 49 -0.054 10.468 9.754 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.481 10.965 11.377 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.970 11.699 10.654 1.00 0.55 H new ATOM 985 N ALA A 50 2.960 15.755 11.959 1.00 0.52 N ATOM 986 CA ALA A 50 3.267 16.866 12.848 1.00 0.53 C ATOM 987 C ALA A 50 3.823 18.054 12.076 1.00 0.50 C ATOM 988 O ALA A 50 3.397 19.193 12.281 1.00 0.50 O ATOM 989 CB ALA A 50 4.271 16.414 13.886 1.00 0.57 C ATOM 0 H ALA A 50 3.436 14.887 12.204 1.00 0.52 H new ATOM 0 HA ALA A 50 2.345 17.183 13.335 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.503 17.244 14.553 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.851 15.590 14.464 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.183 16.082 13.390 1.00 0.57 H new ATOM 995 N ALA A 51 4.780 17.785 11.198 1.00 0.49 N ATOM 996 CA ALA A 51 5.373 18.827 10.374 1.00 0.48 C ATOM 997 C ALA A 51 4.304 19.501 9.527 1.00 0.45 C ATOM 998 O ALA A 51 4.275 20.724 9.383 1.00 0.47 O ATOM 999 CB ALA A 51 6.456 18.239 9.486 1.00 0.50 C ATOM 0 H ALA A 51 5.162 16.853 11.039 1.00 0.49 H new ATOM 0 HA ALA A 51 5.823 19.576 11.026 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.893 19.028 8.874 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.231 17.790 10.107 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.022 17.476 8.839 1.00 0.50 H new ATOM 1005 N LEU A 52 3.412 18.682 8.987 1.00 0.42 N ATOM 1006 CA LEU A 52 2.320 19.166 8.155 1.00 0.40 C ATOM 1007 C LEU A 52 1.297 19.930 8.974 1.00 0.39 C ATOM 1008 O LEU A 52 0.739 20.903 8.493 1.00 0.40 O ATOM 1009 CB LEU A 52 1.648 18.012 7.413 1.00 0.40 C ATOM 1010 CG LEU A 52 2.397 17.510 6.182 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.819 16.184 5.712 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.322 18.544 5.071 1.00 0.41 C ATOM 0 H LEU A 52 3.425 17.670 9.112 1.00 0.42 H new ATOM 0 HA LEU A 52 2.747 19.850 7.422 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.521 17.180 8.106 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.650 18.328 7.108 1.00 0.40 H new ATOM 0 HG LEU A 52 3.443 17.354 6.447 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.365 15.840 4.833 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.910 15.445 6.508 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.767 16.315 5.458 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.859 18.178 4.196 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.279 18.721 4.809 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.774 19.476 5.410 1.00 0.41 H new ATOM 1024 N LYS A 53 1.044 19.501 10.198 1.00 0.39 N ATOM 1025 CA LYS A 53 0.126 20.223 11.070 1.00 0.39 C ATOM 1026 C LYS A 53 0.670 21.606 11.418 1.00 0.40 C ATOM 1027 O LYS A 53 -0.096 22.544 11.648 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.157 19.434 12.347 1.00 0.41 C ATOM 1029 CG LYS A 53 -1.057 18.231 12.134 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.474 17.622 13.459 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.445 16.473 13.268 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.015 16.019 14.562 1.00 1.22 N ATOM 0 H LYS A 53 1.456 18.664 10.611 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.810 20.347 10.526 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.788 19.098 12.773 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.619 20.097 13.078 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.942 18.530 11.572 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.536 17.484 11.535 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.591 17.267 13.990 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.935 18.388 14.082 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.251 16.784 12.604 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.935 15.641 12.783 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -3.173 14.991 14.531 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -2.352 16.244 15.331 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.920 16.503 14.732 1.00 1.22 H new ATOM 1046 N LYS A 54 1.991 21.722 11.463 1.00 0.39 N ATOM 1047 CA LYS A 54 2.643 23.003 11.717 1.00 0.41 C ATOM 1048 C LYS A 54 2.573 23.893 10.474 1.00 0.41 C ATOM 1049 O LYS A 54 2.287 25.088 10.560 1.00 0.47 O ATOM 1050 CB LYS A 54 4.101 22.777 12.124 1.00 0.44 C ATOM 1051 CG LYS A 54 4.873 24.061 12.390 1.00 1.24 C ATOM 1052 CD LYS A 54 6.331 23.783 12.723 1.00 1.63 C ATOM 1053 CE LYS A 54 6.483 23.073 14.062 1.00 2.24 C ATOM 1054 NZ LYS A 54 7.902 22.737 14.349 1.00 3.05 N ATOM 0 H LYS A 54 2.635 20.943 11.327 1.00 0.39 H new ATOM 0 HA LYS A 54 2.122 23.505 12.532 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.126 22.157 13.020 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.605 22.218 11.336 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.817 24.707 11.514 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.408 24.601 13.215 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.773 23.172 11.936 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.884 24.722 12.745 1.00 1.63 H new ATOM 0 HE2 LYS A 54 6.092 23.708 14.857 1.00 2.24 H new ATOM 0 HE3 LYS A 54 5.886 22.161 14.060 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 7.966 22.255 15.268 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 8.268 22.111 13.604 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 8.467 23.610 14.376 1.00 3.05 H new ATOM 1068 N LYS A 55 2.851 23.295 9.324 1.00 0.42 N ATOM 1069 CA LYS A 55 2.776 23.984 8.042 1.00 0.48 C ATOM 1070 C LYS A 55 1.335 24.322 7.669 1.00 0.47 C ATOM 1071 O LYS A 55 1.009 25.480 7.410 1.00 0.58 O ATOM 1072 CB LYS A 55 3.394 23.113 6.951 1.00 0.55 C ATOM 1073 CG LYS A 55 4.912 23.051 6.972 1.00 1.23 C ATOM 1074 CD LYS A 55 5.521 24.393 6.609 1.00 1.16 C ATOM 1075 CE LYS A 55 6.923 24.230 6.054 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.508 25.531 5.633 1.00 1.48 N ATOM 0 H LYS A 55 3.135 22.318 9.253 1.00 0.42 H new ATOM 0 HA LYS A 55 3.330 24.918 8.132 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.001 22.101 7.047 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.073 23.489 5.980 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.253 22.750 7.963 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.257 22.291 6.272 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.892 24.893 5.873 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.549 25.033 7.491 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.562 23.772 6.810 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.899 23.550 5.202 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.546 25.461 5.633 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 7.177 25.767 4.676 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.211 26.276 6.296 1.00 1.48 H new ATOM 1090 N SER A 56 0.485 23.320 7.628 1.00 0.39 N ATOM 1091 CA SER A 56 -0.905 23.511 7.254 1.00 0.39 C ATOM 1092 C SER A 56 -1.808 22.606 8.095 1.00 0.38 C ATOM 1093 O SER A 56 -1.977 21.429 7.781 1.00 0.38 O ATOM 1094 CB SER A 56 -1.091 23.229 5.762 1.00 0.40 C ATOM 1095 OG SER A 56 -0.247 24.060 4.981 1.00 1.16 O ATOM 0 H SER A 56 0.732 22.356 7.851 1.00 0.39 H new ATOM 0 HA SER A 56 -1.185 24.547 7.446 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.870 22.182 5.555 1.00 0.40 H new ATOM 0 HB3 SER A 56 -2.131 23.396 5.483 1.00 0.40 H new ATOM 0 HG SER A 56 -0.381 23.862 4.031 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.363 23.155 9.191 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.109 22.392 10.205 1.00 0.43 C ATOM 1103 C PRO A 57 -4.041 21.333 9.622 1.00 0.44 C ATOM 1104 O PRO A 57 -3.898 20.138 9.901 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.921 23.477 10.903 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.061 24.689 10.830 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.307 24.593 9.530 1.00 0.45 C ATOM 0 HA PRO A 57 -2.438 21.826 10.851 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.878 23.638 10.406 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.140 23.207 11.936 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.664 25.596 10.864 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.375 24.731 11.676 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.768 25.204 8.755 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.279 24.938 9.638 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.984 21.789 8.803 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.993 20.923 8.205 1.00 0.51 C ATOM 1117 C GLU A 58 -5.392 19.935 7.213 1.00 0.47 C ATOM 1118 O GLU A 58 -5.988 18.892 6.932 1.00 0.47 O ATOM 1119 CB GLU A 58 -7.065 21.758 7.513 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.971 22.495 8.482 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.799 21.551 9.327 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.808 21.015 8.820 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -8.447 21.339 10.506 1.00 2.42 O ATOM 0 H GLU A 58 -5.070 22.770 8.536 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.440 20.348 9.016 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.584 22.481 6.855 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.671 21.108 6.883 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.366 23.126 9.133 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.634 23.156 7.924 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.214 20.249 6.684 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.568 19.354 5.739 1.00 0.48 C ATOM 1132 C LEU A 59 -3.028 18.168 6.524 1.00 0.43 C ATOM 1133 O LEU A 59 -3.135 17.011 6.118 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.437 20.082 4.995 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.054 19.518 3.619 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.038 20.425 2.945 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -1.498 18.105 3.729 1.00 1.42 C ATOM 0 H LEU A 59 -3.696 21.103 6.891 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.280 19.013 4.987 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -2.727 21.125 4.868 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.550 20.072 5.628 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.959 19.476 3.013 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -0.774 20.015 1.970 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -1.466 21.419 2.816 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.144 20.493 3.564 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -1.238 17.738 2.736 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -0.608 18.112 4.358 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -2.250 17.452 4.172 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.458 18.493 7.685 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.996 17.482 8.605 1.00 0.36 C ATOM 1151 C GLY A 60 -3.146 16.651 9.132 1.00 0.35 C ATOM 1152 O GLY A 60 -2.995 15.463 9.399 1.00 0.36 O ATOM 0 H GLY A 60 -2.310 19.452 8.000 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.276 16.834 8.105 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.475 17.955 9.437 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.302 17.285 9.282 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.515 16.575 9.652 1.00 0.42 C ATOM 1158 C ALA A 61 -5.922 15.611 8.543 1.00 0.44 C ATOM 1159 O ALA A 61 -6.349 14.486 8.810 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.635 17.562 9.942 1.00 0.45 C ATOM 0 H ALA A 61 -4.423 18.290 9.153 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.322 15.998 10.556 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.538 17.017 10.218 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.340 18.216 10.763 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.831 18.162 9.053 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.770 16.066 7.298 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.053 15.267 6.123 1.00 0.50 C ATOM 1168 C LYS A 62 -5.234 13.978 6.130 1.00 0.54 C ATOM 1169 O LYS A 62 -5.790 12.881 6.083 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.725 16.093 4.879 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.087 15.419 3.574 1.00 0.90 C ATOM 1172 CD LYS A 62 -7.591 15.380 3.366 1.00 1.25 C ATOM 1173 CE LYS A 62 -8.155 16.770 3.107 1.00 1.51 C ATOM 1174 NZ LYS A 62 -9.606 16.733 2.778 1.00 2.17 N ATOM 0 H LYS A 62 -5.444 17.008 7.084 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.107 14.991 6.121 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -6.250 17.046 4.941 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -4.658 16.316 4.876 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -5.618 15.951 2.746 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -5.691 14.403 3.566 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -7.826 14.728 2.525 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -8.070 14.950 4.246 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.999 17.394 3.987 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.609 17.235 2.286 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -10.026 17.667 2.956 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.728 16.484 1.776 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -10.079 16.022 3.372 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.911 14.119 6.196 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.023 12.962 6.203 1.00 0.48 C ATOM 1190 C VAL A 63 -3.249 12.098 7.443 1.00 0.46 C ATOM 1191 O VAL A 63 -3.175 10.872 7.377 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.541 13.384 6.113 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.154 14.272 7.276 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.626 12.168 6.029 1.00 1.12 C ATOM 0 H VAL A 63 -3.434 15.019 6.245 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.263 12.370 5.320 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.417 13.960 5.196 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.105 14.553 7.186 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.772 15.170 7.270 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.306 13.733 8.211 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.411 12.497 5.967 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.758 11.551 6.918 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.876 11.585 5.142 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.546 12.745 8.562 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.782 12.044 9.815 1.00 0.42 C ATOM 1200 C GLU A 64 -4.908 11.027 9.681 1.00 0.50 C ATOM 1201 O GLU A 64 -4.675 9.823 9.783 1.00 0.55 O ATOM 1202 CB GLU A 64 -4.115 13.029 10.933 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.455 12.352 12.250 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.831 13.335 13.330 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.967 13.849 13.300 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.997 13.598 14.221 1.00 1.70 O ATOM 0 H GLU A 64 -3.629 13.760 8.626 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.863 11.513 10.066 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.267 13.696 11.084 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.957 13.648 10.623 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.280 11.657 12.094 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.600 11.763 12.582 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.123 11.508 9.426 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.288 10.633 9.430 1.00 0.69 C ATOM 1215 C LYS A 65 -7.191 9.597 8.314 1.00 0.71 C ATOM 1216 O LYS A 65 -7.646 8.462 8.455 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.588 11.453 9.335 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.619 12.499 8.220 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.000 11.912 6.868 1.00 2.40 C ATOM 1220 CE LYS A 65 -10.434 11.411 6.856 1.00 3.23 C ATOM 1221 NZ LYS A 65 -10.833 10.911 5.517 1.00 3.96 N ATOM 0 H LYS A 65 -6.323 12.486 9.217 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.311 10.093 10.377 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -9.422 10.766 9.190 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.751 11.956 10.288 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -9.329 13.283 8.483 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.639 12.970 8.143 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -8.873 12.669 6.094 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -8.326 11.091 6.625 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -10.546 10.613 7.590 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -11.103 12.217 7.157 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -11.818 10.578 5.550 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.750 11.679 4.821 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.211 10.125 5.240 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.564 9.999 7.219 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.384 9.137 6.063 1.00 0.80 C ATOM 1237 C LEU A 66 -5.439 7.988 6.406 1.00 0.76 C ATOM 1238 O LEU A 66 -5.739 6.824 6.139 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.856 9.979 4.886 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.664 9.270 3.538 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -4.406 8.409 3.540 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -6.886 8.437 3.193 1.00 1.37 C ATOM 0 H LEU A 66 -6.166 10.932 7.108 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.337 8.696 5.772 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.543 10.812 4.733 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.898 10.406 5.181 1.00 0.84 H new ATOM 0 HG LEU A 66 -5.541 10.035 2.772 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -4.298 7.920 2.572 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -3.535 9.037 3.728 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -4.484 7.653 4.321 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -6.730 7.942 2.234 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -7.045 7.686 3.967 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -7.761 9.084 3.130 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.327 8.312 7.045 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.313 7.311 7.340 1.00 0.55 C ATOM 1256 C HIS A 67 -3.794 6.448 8.496 1.00 0.44 C ATOM 1257 O HIS A 67 -3.377 5.309 8.658 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.951 7.980 7.638 1.00 0.67 C ATOM 1259 CG HIS A 67 -1.467 7.864 9.059 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -1.930 8.425 10.198 1.00 1.62 N flip ATOM 1261 CD2 HIS A 67 -0.373 7.108 9.425 1.00 1.85 C flip ATOM 1262 CE1 HIS A 67 -1.117 8.004 11.217 1.00 2.13 C flip ATOM 1263 NE2 HIS A 67 -0.187 7.212 10.728 1.00 2.34 N flip ATOM 0 H HIS A 67 -4.104 9.253 7.368 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.160 6.671 6.471 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.200 7.543 6.980 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.022 9.037 7.382 1.00 0.67 H new ATOM 0 HD1 HIS A 67 -2.735 9.046 10.283 1.00 1.62 H new ATOM 0 HD2 HIS A 67 0.236 6.523 8.752 1.00 1.85 H new ATOM 0 HE1 HIS A 67 -1.223 8.278 12.256 1.00 2.13 H new ATOM 1272 N ALA A 68 -4.674 7.027 9.295 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.258 6.355 10.439 1.00 0.36 C ATOM 1274 C ALA A 68 -6.180 5.216 10.017 1.00 0.34 C ATOM 1275 O ALA A 68 -6.218 4.173 10.669 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.005 7.370 11.279 1.00 0.40 C ATOM 0 H ALA A 68 -5.004 7.983 9.166 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.457 5.909 11.028 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.448 6.873 12.142 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.313 8.140 11.619 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.793 7.828 10.681 1.00 0.40 H new ATOM 1282 N MET A 69 -6.925 5.411 8.933 1.00 0.33 N ATOM 1283 CA MET A 69 -7.778 4.348 8.402 1.00 0.37 C ATOM 1284 C MET A 69 -6.909 3.203 7.915 1.00 0.37 C ATOM 1285 O MET A 69 -7.117 2.046 8.276 1.00 0.42 O ATOM 1286 CB MET A 69 -8.632 4.846 7.242 1.00 0.46 C ATOM 1287 CG MET A 69 -9.555 6.001 7.579 1.00 0.44 C ATOM 1288 SD MET A 69 -10.595 6.461 6.182 1.00 0.72 S ATOM 1289 CE MET A 69 -9.373 6.514 4.870 1.00 0.55 C ATOM 0 H MET A 69 -6.957 6.285 8.408 1.00 0.33 H new ATOM 0 HA MET A 69 -8.440 4.015 9.201 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.973 5.152 6.430 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.233 4.016 6.870 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.185 5.727 8.425 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.962 6.861 7.888 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.725 7.167 4.072 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.432 6.897 5.265 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.219 5.510 4.475 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.926 3.559 7.098 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.927 2.629 6.613 1.00 0.39 C ATOM 1301 C VAL A 70 -4.264 1.908 7.784 1.00 0.38 C ATOM 1302 O VAL A 70 -4.066 0.692 7.759 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.867 3.400 5.803 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.759 2.484 5.329 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.520 4.113 4.628 1.00 0.70 C ATOM 0 H VAL A 70 -5.803 4.511 6.753 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.406 1.887 5.975 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.416 4.146 6.458 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -2.029 3.060 4.761 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.271 2.028 6.190 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.179 1.704 4.694 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.761 4.654 4.063 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -5.001 3.381 3.980 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -5.267 4.816 4.998 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.943 2.678 8.816 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.348 2.145 10.032 1.00 0.43 C ATOM 1311 C LYS A 71 -4.283 1.136 10.692 1.00 0.44 C ATOM 1312 O LYS A 71 -3.835 0.106 11.176 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.019 3.295 10.995 1.00 0.48 C ATOM 1314 CG LYS A 71 -2.419 2.871 12.327 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.901 2.956 12.319 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.293 1.993 11.318 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.175 1.857 11.500 1.00 1.47 N ATOM 0 H LYS A 71 -4.088 3.688 8.832 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.424 1.626 9.776 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -2.324 3.974 10.501 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -3.932 3.858 11.188 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -2.814 3.505 13.121 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -2.724 1.849 12.554 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.594 3.974 12.078 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -0.518 2.735 13.316 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.764 1.015 11.423 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.503 2.341 10.306 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.552 1.190 10.796 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.628 2.785 11.375 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.375 1.501 12.456 1.00 1.47 H new ATOM 1331 N SER A 72 -5.575 1.430 10.695 1.00 0.45 N ATOM 1332 CA SER A 72 -6.568 0.516 11.254 1.00 0.49 C ATOM 1333 C SER A 72 -6.605 -0.802 10.472 1.00 0.45 C ATOM 1334 O SER A 72 -6.727 -1.876 11.059 1.00 0.49 O ATOM 1335 CB SER A 72 -7.946 1.178 11.251 1.00 0.56 C ATOM 1336 OG SER A 72 -7.909 2.420 11.940 1.00 1.26 O ATOM 0 H SER A 72 -5.963 2.294 10.317 1.00 0.45 H new ATOM 0 HA SER A 72 -6.286 0.287 12.282 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.277 1.336 10.224 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.673 0.517 11.722 1.00 0.56 H new ATOM 0 HG SER A 72 -7.419 3.077 11.403 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.481 -0.713 9.151 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.464 -1.903 8.299 1.00 0.38 C ATOM 1344 C LYS A 73 -5.209 -2.727 8.569 1.00 0.33 C ATOM 1345 O LYS A 73 -5.279 -3.947 8.683 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.514 -1.523 6.813 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.564 -0.484 6.457 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.972 -1.005 6.674 1.00 0.78 C ATOM 1349 CE LYS A 73 -10.009 0.035 6.284 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.944 0.378 4.838 1.00 1.54 N ATOM 0 H LYS A 73 -6.391 0.168 8.646 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.348 -2.494 8.537 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.535 -1.147 6.515 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.701 -2.424 6.228 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -7.410 0.409 7.062 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.443 -0.188 5.415 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -9.122 -1.910 6.086 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -9.104 -1.279 7.721 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -11.004 -0.340 6.522 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.857 0.937 6.877 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.559 1.194 4.647 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.964 0.615 4.581 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.263 -0.435 4.274 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.073 -2.061 8.680 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.813 -2.736 8.970 1.00 0.28 C ATOM 1366 C ILE A 74 -2.766 -3.211 10.428 1.00 0.28 C ATOM 1367 O ILE A 74 -2.058 -4.157 10.768 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.628 -1.807 8.634 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.651 -1.528 7.135 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.299 -2.423 9.044 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.587 -0.577 6.656 1.00 0.32 C ATOM 0 H ILE A 74 -3.994 -1.050 8.574 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.736 -3.624 8.343 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.730 -0.877 9.193 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.542 -2.472 6.602 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.627 -1.123 6.869 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.512 -1.740 8.792 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.299 -2.605 10.119 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.157 -3.366 8.516 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.681 -0.439 5.579 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.706 0.384 7.157 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.397 -0.987 6.885 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.554 -2.566 11.274 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.722 -2.997 12.659 1.00 0.32 C ATOM 1380 C ALA A 75 -4.507 -4.297 12.712 1.00 0.32 C ATOM 1381 O ALA A 75 -4.330 -5.120 13.608 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.456 -1.933 13.457 1.00 0.34 C ATOM 0 H ALA A 75 -4.092 -1.736 11.026 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.734 -3.153 13.093 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.574 -2.268 14.488 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.883 -1.006 13.440 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.438 -1.761 13.017 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.383 -4.458 11.734 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.238 -5.626 11.631 1.00 0.32 C ATOM 1390 C ALA A 76 -5.593 -6.692 10.753 1.00 0.34 C ATOM 1391 O ALA A 76 -6.183 -7.738 10.486 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.587 -5.215 11.059 1.00 0.35 C ATOM 0 H ALA A 76 -5.521 -3.778 10.986 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.380 -6.050 12.625 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.231 -6.091 10.981 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.052 -4.480 11.716 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.445 -4.779 10.070 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.381 -6.408 10.301 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.643 -7.310 9.433 1.00 0.31 C ATOM 1400 C LEU A 77 -2.693 -8.174 10.251 1.00 0.32 C ATOM 1401 O LEU A 77 -1.971 -7.672 11.117 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.862 -6.483 8.410 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.306 -7.237 7.202 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.366 -8.148 6.610 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -1.846 -6.233 6.166 1.00 0.58 C ATOM 0 H LEU A 77 -3.883 -5.547 10.526 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.339 -7.970 8.915 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.513 -5.688 8.046 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.030 -6.002 8.924 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.465 -7.854 7.517 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -2.953 -8.677 5.751 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.686 -8.870 7.361 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.222 -7.552 6.292 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.447 -6.761 5.300 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.690 -5.615 5.858 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.069 -5.599 6.594 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.709 -9.475 9.979 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.846 -10.394 10.691 1.00 0.42 C ATOM 1419 C GLY A 78 -0.379 -10.114 10.432 1.00 0.46 C ATOM 1420 O GLY A 78 -0.035 -9.619 9.362 1.00 0.76 O ATOM 0 H GLY A 78 -3.307 -9.908 9.275 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.045 -10.323 11.760 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.078 -11.416 10.391 1.00 0.42 H new ATOM 1424 N PRO A 79 0.500 -10.435 11.401 1.00 0.66 N ATOM 1425 CA PRO A 79 1.944 -10.159 11.329 1.00 0.86 C ATOM 1426 C PRO A 79 2.568 -10.421 9.956 1.00 0.60 C ATOM 1427 O PRO A 79 3.364 -9.615 9.470 1.00 0.64 O ATOM 1428 CB PRO A 79 2.518 -11.124 12.358 1.00 1.32 C ATOM 1429 CG PRO A 79 1.458 -11.238 13.394 1.00 1.56 C ATOM 1430 CD PRO A 79 0.141 -11.097 12.673 1.00 1.10 C ATOM 0 HA PRO A 79 2.153 -9.105 11.512 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.742 -12.093 11.912 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.448 -10.745 12.782 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.519 -12.197 13.908 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.571 -10.463 14.152 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.326 -12.067 12.501 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.567 -10.500 13.248 1.00 1.10 H new ATOM 1438 N GLU A 80 2.189 -11.533 9.332 1.00 0.51 N ATOM 1439 CA GLU A 80 2.739 -11.918 8.040 1.00 0.49 C ATOM 1440 C GLU A 80 2.436 -10.855 7.001 1.00 0.42 C ATOM 1441 O GLU A 80 3.329 -10.355 6.314 1.00 0.49 O ATOM 1442 CB GLU A 80 2.138 -13.247 7.582 1.00 0.70 C ATOM 1443 CG GLU A 80 2.612 -13.689 6.206 1.00 1.25 C ATOM 1444 CD GLU A 80 4.035 -14.206 6.204 1.00 1.79 C ATOM 1445 OE1 GLU A 80 4.947 -13.418 6.533 1.00 2.19 O ATOM 1446 OE2 GLU A 80 4.255 -15.391 5.873 1.00 2.52 O ATOM 0 H GLU A 80 1.499 -12.185 9.705 1.00 0.51 H new ATOM 0 HA GLU A 80 3.818 -12.025 8.148 1.00 0.49 H new ATOM 0 HB2 GLU A 80 2.390 -14.019 8.309 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.051 -13.160 7.572 1.00 0.70 H new ATOM 0 HG2 GLU A 80 1.948 -14.469 5.833 1.00 1.25 H new ATOM 0 HG3 GLU A 80 2.536 -12.849 5.515 1.00 1.25 H new ATOM 1453 N ALA A 81 1.168 -10.497 6.918 1.00 0.36 N ATOM 1454 CA ALA A 81 0.717 -9.589 5.884 1.00 0.34 C ATOM 1455 C ALA A 81 0.996 -8.149 6.277 1.00 0.31 C ATOM 1456 O ALA A 81 1.237 -7.297 5.425 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.751 -9.820 5.586 1.00 0.36 C ATOM 0 H ALA A 81 0.437 -10.820 7.551 1.00 0.36 H new ATOM 0 HA ALA A 81 1.275 -9.788 4.969 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.077 -9.131 4.807 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.896 -10.846 5.247 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.337 -9.650 6.489 1.00 0.36 H new ATOM 1463 N LYS A 82 0.966 -7.895 7.579 1.00 0.31 N ATOM 1464 CA LYS A 82 1.283 -6.583 8.117 1.00 0.33 C ATOM 1465 C LYS A 82 2.696 -6.176 7.731 1.00 0.33 C ATOM 1466 O LYS A 82 2.921 -5.045 7.302 1.00 0.32 O ATOM 1467 CB LYS A 82 1.136 -6.570 9.637 1.00 0.41 C ATOM 1468 CG LYS A 82 1.284 -5.180 10.233 1.00 0.60 C ATOM 1469 CD LYS A 82 1.108 -5.180 11.739 1.00 0.86 C ATOM 1470 CE LYS A 82 2.244 -5.900 12.437 1.00 1.33 C ATOM 1471 NZ LYS A 82 3.548 -5.210 12.244 1.00 2.04 N ATOM 0 H LYS A 82 0.723 -8.589 8.286 1.00 0.31 H new ATOM 0 HA LYS A 82 0.580 -5.866 7.693 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.160 -6.973 9.906 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.885 -7.229 10.075 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.268 -4.783 9.984 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.548 -4.514 9.783 1.00 0.60 H new ATOM 0 HD2 LYS A 82 1.053 -4.153 12.099 1.00 0.86 H new ATOM 0 HD3 LYS A 82 0.163 -5.658 11.995 1.00 0.86 H new ATOM 0 HE2 LYS A 82 2.027 -5.971 13.503 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.314 -6.919 12.057 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 4.252 -5.890 11.894 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 3.435 -4.441 11.552 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 3.869 -4.815 13.151 1.00 2.04 H new ATOM 1485 N GLY A 83 3.640 -7.106 7.861 1.00 0.37 N ATOM 1486 CA GLY A 83 5.014 -6.823 7.491 1.00 0.41 C ATOM 1487 C GLY A 83 5.117 -6.371 6.050 1.00 0.39 C ATOM 1488 O GLY A 83 5.847 -5.431 5.731 1.00 0.41 O ATOM 0 H GLY A 83 3.477 -8.048 8.215 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.417 -6.050 8.146 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.623 -7.715 7.638 1.00 0.41 H new ATOM 1492 N PHE A 84 4.365 -7.037 5.184 1.00 0.37 N ATOM 1493 CA PHE A 84 4.291 -6.664 3.780 1.00 0.37 C ATOM 1494 C PHE A 84 3.607 -5.311 3.603 1.00 0.34 C ATOM 1495 O PHE A 84 4.122 -4.443 2.900 1.00 0.37 O ATOM 1496 CB PHE A 84 3.542 -7.741 2.987 1.00 0.39 C ATOM 1497 CG PHE A 84 3.005 -7.261 1.669 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.860 -6.752 0.708 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.653 -7.332 1.388 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.374 -6.322 -0.510 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.163 -6.905 0.174 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.001 -6.357 -0.752 1.00 1.59 C ATOM 0 H PHE A 84 3.794 -7.844 5.433 1.00 0.37 H new ATOM 0 HA PHE A 84 5.309 -6.581 3.399 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.213 -8.582 2.811 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.715 -8.115 3.591 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.919 -6.690 0.913 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.974 -7.727 2.129 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.052 -5.961 -1.270 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.110 -7.005 -0.046 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.602 -5.951 -1.670 1.00 1.59 H new ATOM 1512 N ALA A 85 2.455 -5.136 4.240 1.00 0.30 N ATOM 1513 CA ALA A 85 1.678 -3.905 4.117 1.00 0.30 C ATOM 1514 C ALA A 85 2.510 -2.686 4.479 1.00 0.32 C ATOM 1515 O ALA A 85 2.510 -1.683 3.770 1.00 0.41 O ATOM 1516 CB ALA A 85 0.451 -3.969 5.004 1.00 0.28 C ATOM 0 H ALA A 85 2.035 -5.836 4.852 1.00 0.30 H new ATOM 0 HA ALA A 85 1.369 -3.810 3.076 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.119 -3.046 4.903 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.170 -4.814 4.706 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.759 -4.094 6.042 1.00 0.28 H new ATOM 1522 N GLU A 86 3.234 -2.792 5.581 1.00 0.31 N ATOM 1523 CA GLU A 86 4.059 -1.698 6.052 1.00 0.37 C ATOM 1524 C GLU A 86 5.222 -1.456 5.092 1.00 0.44 C ATOM 1525 O GLU A 86 5.510 -0.316 4.739 1.00 0.70 O ATOM 1526 CB GLU A 86 4.563 -1.988 7.468 1.00 0.43 C ATOM 1527 CG GLU A 86 3.439 -2.273 8.454 1.00 0.55 C ATOM 1528 CD GLU A 86 3.936 -2.522 9.864 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.291 -3.678 10.181 1.00 1.96 O ATOM 1530 OE2 GLU A 86 3.974 -1.566 10.668 1.00 1.11 O ATOM 0 H GLU A 86 3.265 -3.627 6.165 1.00 0.31 H new ATOM 0 HA GLU A 86 3.457 -0.790 6.085 1.00 0.37 H new ATOM 0 HB2 GLU A 86 5.239 -2.843 7.439 1.00 0.43 H new ATOM 0 HB3 GLU A 86 5.142 -1.136 7.823 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.748 -1.430 8.462 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.877 -3.143 8.114 1.00 0.55 H new ATOM 1537 N LYS A 87 5.855 -2.538 4.637 1.00 0.41 N ATOM 1538 CA LYS A 87 6.993 -2.440 3.735 1.00 0.49 C ATOM 1539 C LYS A 87 6.578 -1.875 2.377 1.00 0.49 C ATOM 1540 O LYS A 87 7.260 -1.017 1.818 1.00 0.57 O ATOM 1541 CB LYS A 87 7.637 -3.818 3.552 1.00 0.57 C ATOM 1542 CG LYS A 87 8.814 -3.819 2.596 1.00 0.69 C ATOM 1543 CD LYS A 87 9.920 -2.886 3.066 1.00 1.25 C ATOM 1544 CE LYS A 87 11.108 -2.894 2.118 1.00 1.75 C ATOM 1545 NZ LYS A 87 12.163 -1.938 2.545 1.00 2.12 N ATOM 0 H LYS A 87 5.594 -3.493 4.882 1.00 0.41 H new ATOM 0 HA LYS A 87 7.717 -1.757 4.179 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.969 -4.186 4.523 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.883 -4.516 3.187 1.00 0.57 H new ATOM 0 HG2 LYS A 87 9.207 -4.832 2.503 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.478 -3.515 1.605 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.529 -1.872 3.149 1.00 1.25 H new ATOM 0 HD3 LYS A 87 10.248 -3.184 4.062 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.527 -3.899 2.069 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.772 -2.639 1.113 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.956 -1.973 1.873 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.771 -0.975 2.567 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 12.502 -2.196 3.494 1.00 2.12 H new ATOM 1559 N SER A 88 5.459 -2.362 1.853 1.00 0.46 N ATOM 1560 CA SER A 88 4.978 -1.927 0.548 1.00 0.51 C ATOM 1561 C SER A 88 4.648 -0.438 0.558 1.00 0.51 C ATOM 1562 O SER A 88 4.972 0.285 -0.388 1.00 0.57 O ATOM 1563 CB SER A 88 3.760 -2.751 0.123 1.00 0.56 C ATOM 1564 OG SER A 88 2.792 -2.816 1.155 1.00 0.48 O ATOM 0 H SER A 88 4.869 -3.057 2.311 1.00 0.46 H new ATOM 0 HA SER A 88 5.773 -2.090 -0.180 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.314 -2.310 -0.768 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.077 -3.759 -0.144 1.00 0.56 H new ATOM 0 HG SER A 88 3.075 -3.469 1.829 1.00 0.48 H new ATOM 1570 N ILE A 89 4.023 0.020 1.635 1.00 0.50 N ATOM 1571 CA ILE A 89 3.710 1.426 1.786 1.00 0.56 C ATOM 1572 C ILE A 89 4.983 2.258 1.877 1.00 0.55 C ATOM 1573 O ILE A 89 5.058 3.333 1.290 1.00 0.59 O ATOM 1574 CB ILE A 89 2.808 1.678 3.012 1.00 0.63 C ATOM 1575 CG1 ILE A 89 1.405 1.134 2.737 1.00 0.83 C ATOM 1576 CG2 ILE A 89 2.756 3.160 3.357 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.414 1.427 3.838 1.00 1.09 C ATOM 0 H ILE A 89 3.725 -0.566 2.415 1.00 0.50 H new ATOM 0 HA ILE A 89 3.158 1.735 0.899 1.00 0.56 H new ATOM 0 HB ILE A 89 3.229 1.156 3.871 1.00 0.63 H new ATOM 0 HG12 ILE A 89 1.036 1.561 1.805 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.465 0.055 2.592 1.00 0.83 H new ATOM 0 HG21 ILE A 89 2.113 3.309 4.225 1.00 0.79 H new ATOM 0 HG22 ILE A 89 3.761 3.516 3.584 1.00 0.79 H new ATOM 0 HG23 ILE A 89 2.356 3.717 2.510 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.558 1.011 3.573 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.760 0.976 4.768 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.324 2.505 3.969 1.00 1.09 H new ATOM 1584 N GLU A 90 5.991 1.749 2.588 1.00 0.53 N ATOM 1585 CA GLU A 90 7.279 2.436 2.685 1.00 0.60 C ATOM 1586 C GLU A 90 7.822 2.760 1.296 1.00 0.56 C ATOM 1587 O GLU A 90 8.291 3.870 1.042 1.00 0.63 O ATOM 1588 CB GLU A 90 8.303 1.589 3.444 1.00 0.69 C ATOM 1589 CG GLU A 90 7.970 1.375 4.909 1.00 1.28 C ATOM 1590 CD GLU A 90 9.092 0.692 5.662 1.00 2.08 C ATOM 1591 OE1 GLU A 90 9.219 -0.546 5.568 1.00 2.82 O ATOM 1592 OE2 GLU A 90 9.861 1.398 6.348 1.00 2.41 O ATOM 0 H GLU A 90 5.941 0.869 3.102 1.00 0.53 H new ATOM 0 HA GLU A 90 7.114 3.363 3.234 1.00 0.60 H new ATOM 0 HB2 GLU A 90 8.387 0.618 2.957 1.00 0.69 H new ATOM 0 HB3 GLU A 90 9.279 2.068 3.371 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.757 2.337 5.375 1.00 1.28 H new ATOM 0 HG3 GLU A 90 7.064 0.774 4.989 1.00 1.28 H new ATOM 1599 N ILE A 91 7.731 1.789 0.400 1.00 0.47 N ATOM 1600 CA ILE A 91 8.207 1.952 -0.962 1.00 0.46 C ATOM 1601 C ILE A 91 7.321 2.932 -1.732 1.00 0.47 C ATOM 1602 O ILE A 91 7.817 3.820 -2.434 1.00 0.51 O ATOM 1603 CB ILE A 91 8.242 0.598 -1.702 1.00 0.43 C ATOM 1604 CG1 ILE A 91 9.008 -0.439 -0.878 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.879 0.762 -3.070 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.996 -1.827 -1.486 1.00 0.45 C ATOM 0 H ILE A 91 7.328 0.873 0.596 1.00 0.47 H new ATOM 0 HA ILE A 91 9.220 2.351 -0.911 1.00 0.46 H new ATOM 0 HB ILE A 91 7.219 0.247 -1.835 1.00 0.43 H new ATOM 0 HG12 ILE A 91 10.041 -0.110 -0.765 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.577 -0.486 0.122 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.897 -0.201 -3.581 1.00 0.49 H new ATOM 0 HG22 ILE A 91 8.300 1.474 -3.658 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.898 1.131 -2.955 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.558 -2.509 -0.848 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.967 -2.177 -1.574 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.454 -1.795 -2.475 1.00 0.45 H new ATOM 1613 N ALA A 92 6.009 2.783 -1.579 1.00 0.47 N ATOM 1614 CA ALA A 92 5.052 3.630 -2.282 1.00 0.53 C ATOM 1615 C ALA A 92 5.094 5.066 -1.760 1.00 0.60 C ATOM 1616 O ALA A 92 4.682 6.003 -2.449 1.00 0.64 O ATOM 1617 CB ALA A 92 3.649 3.055 -2.168 1.00 0.56 C ATOM 0 H ALA A 92 5.584 2.082 -0.973 1.00 0.47 H new ATOM 0 HA ALA A 92 5.332 3.653 -3.335 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.948 3.699 -2.698 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.628 2.057 -2.607 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.364 2.996 -1.117 1.00 0.56 H new ATOM 1623 N ARG A 93 5.577 5.234 -0.534 1.00 0.66 N ATOM 1624 CA ARG A 93 5.799 6.564 0.016 1.00 0.77 C ATOM 1625 C ARG A 93 6.853 7.289 -0.801 1.00 0.68 C ATOM 1626 O ARG A 93 6.623 8.397 -1.263 1.00 0.68 O ATOM 1627 CB ARG A 93 6.254 6.517 1.478 1.00 0.99 C ATOM 1628 CG ARG A 93 5.198 6.034 2.459 1.00 1.55 C ATOM 1629 CD ARG A 93 5.684 6.150 3.897 1.00 1.83 C ATOM 1630 NE ARG A 93 7.026 5.589 4.075 1.00 2.71 N ATOM 1631 CZ ARG A 93 7.516 5.169 5.242 1.00 3.44 C ATOM 1632 NH1 ARG A 93 6.768 5.206 6.339 1.00 3.55 N ATOM 1633 NH2 ARG A 93 8.761 4.716 5.313 1.00 4.42 N ATOM 0 H ARG A 93 5.821 4.469 0.095 1.00 0.66 H new ATOM 0 HA ARG A 93 4.847 7.093 -0.028 1.00 0.77 H new ATOM 0 HB2 ARG A 93 7.124 5.865 1.552 1.00 0.99 H new ATOM 0 HB3 ARG A 93 6.577 7.515 1.776 1.00 0.99 H new ATOM 0 HG2 ARG A 93 4.287 6.619 2.333 1.00 1.55 H new ATOM 0 HG3 ARG A 93 4.944 4.997 2.241 1.00 1.55 H new ATOM 0 HD2 ARG A 93 5.688 7.199 4.194 1.00 1.83 H new ATOM 0 HD3 ARG A 93 4.986 5.635 4.557 1.00 1.83 H new ATOM 0 HE ARG A 93 7.625 5.515 3.252 1.00 2.71 H new ATOM 0 HH11 ARG A 93 5.812 5.557 6.293 1.00 3.55 H new ATOM 0 HH12 ARG A 93 7.150 4.883 7.228 1.00 3.55 H new ATOM 0 HH21 ARG A 93 9.343 4.689 4.475 1.00 4.42 H new ATOM 0 HH22 ARG A 93 9.137 4.395 6.205 1.00 4.42 H new ATOM 1647 N GLY A 94 7.981 6.620 -1.021 1.00 0.66 N ATOM 1648 CA GLY A 94 9.130 7.257 -1.641 1.00 0.65 C ATOM 1649 C GLY A 94 8.868 7.704 -3.066 1.00 0.56 C ATOM 1650 O GLY A 94 9.351 8.752 -3.490 1.00 0.56 O ATOM 0 H GLY A 94 8.120 5.639 -0.778 1.00 0.66 H new ATOM 0 HA2 GLY A 94 9.424 8.120 -1.044 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.970 6.563 -1.633 1.00 0.65 H new ATOM 1654 N ILE A 95 8.082 6.924 -3.795 1.00 0.52 N ATOM 1655 CA ILE A 95 7.791 7.226 -5.191 1.00 0.48 C ATOM 1656 C ILE A 95 7.057 8.558 -5.312 1.00 0.47 C ATOM 1657 O ILE A 95 7.454 9.433 -6.082 1.00 0.49 O ATOM 1658 CB ILE A 95 6.956 6.099 -5.842 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.761 4.800 -5.869 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.512 6.480 -7.248 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.047 4.887 -6.670 1.00 0.55 C ATOM 0 H ILE A 95 7.634 6.078 -3.444 1.00 0.52 H new ATOM 0 HA ILE A 95 8.741 7.299 -5.720 1.00 0.48 H new ATOM 0 HB ILE A 95 6.059 5.950 -5.241 1.00 0.50 H new ATOM 0 HG12 ILE A 95 8.001 4.512 -4.846 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.139 4.008 -6.285 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.927 5.667 -7.678 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.902 7.382 -7.205 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.389 6.664 -7.869 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.560 3.926 -6.640 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.815 5.143 -7.704 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.691 5.655 -6.242 1.00 0.55 H new ATOM 1668 N LYS A 96 6.010 8.726 -4.521 1.00 0.50 N ATOM 1669 CA LYS A 96 5.225 9.952 -4.568 1.00 0.54 C ATOM 1670 C LYS A 96 5.696 10.944 -3.511 1.00 0.57 C ATOM 1671 O LYS A 96 5.092 11.994 -3.331 1.00 0.83 O ATOM 1672 CB LYS A 96 3.722 9.672 -4.423 1.00 0.64 C ATOM 1673 CG LYS A 96 3.159 8.712 -5.465 1.00 1.47 C ATOM 1674 CD LYS A 96 3.179 7.258 -4.997 1.00 1.78 C ATOM 1675 CE LYS A 96 2.001 6.927 -4.082 1.00 1.90 C ATOM 1676 NZ LYS A 96 2.114 7.567 -2.742 1.00 2.70 N ATOM 0 H LYS A 96 5.685 8.036 -3.844 1.00 0.50 H new ATOM 0 HA LYS A 96 5.381 10.399 -5.550 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.535 9.263 -3.430 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.181 10.616 -4.486 1.00 0.64 H new ATOM 0 HG2 LYS A 96 2.135 8.999 -5.702 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.736 8.801 -6.385 1.00 1.47 H new ATOM 0 HD2 LYS A 96 3.158 6.599 -5.865 1.00 1.78 H new ATOM 0 HD3 LYS A 96 4.112 7.061 -4.470 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.075 7.251 -4.557 1.00 1.90 H new ATOM 0 HE3 LYS A 96 1.935 5.846 -3.959 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.518 7.054 -2.061 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 3.104 7.538 -2.426 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 1.798 8.556 -2.802 1.00 2.70 H new ATOM 1690 N ALA A 97 6.790 10.617 -2.844 1.00 0.50 N ATOM 1691 CA ALA A 97 7.497 11.578 -2.009 1.00 0.53 C ATOM 1692 C ALA A 97 8.473 12.358 -2.864 1.00 0.46 C ATOM 1693 O ALA A 97 8.739 13.532 -2.612 1.00 0.48 O ATOM 1694 CB ALA A 97 8.232 10.883 -0.876 1.00 0.63 C ATOM 0 H ALA A 97 7.211 9.688 -2.864 1.00 0.50 H new ATOM 0 HA ALA A 97 6.770 12.259 -1.566 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.751 11.625 -0.269 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.517 10.343 -0.256 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.957 10.181 -1.289 1.00 0.63 H new ATOM 1700 N ARG A 98 8.979 11.707 -3.897 1.00 0.41 N ATOM 1701 CA ARG A 98 9.839 12.374 -4.860 1.00 0.44 C ATOM 1702 C ARG A 98 8.983 13.097 -5.885 1.00 0.44 C ATOM 1703 O ARG A 98 9.488 13.875 -6.688 1.00 0.53 O ATOM 1704 CB ARG A 98 10.777 11.389 -5.547 1.00 0.51 C ATOM 1705 CG ARG A 98 11.687 10.629 -4.603 1.00 1.02 C ATOM 1706 CD ARG A 98 12.259 9.399 -5.285 1.00 0.81 C ATOM 1707 NE ARG A 98 12.875 9.725 -6.570 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.218 8.819 -7.482 1.00 1.94 C ATOM 1709 NH1 ARG A 98 12.986 7.529 -7.265 1.00 1.37 N ATOM 1710 NH2 ARG A 98 13.778 9.208 -8.619 1.00 3.10 N ATOM 0 H ARG A 98 8.810 10.720 -4.091 1.00 0.41 H new ATOM 0 HA ARG A 98 10.459 13.096 -4.328 1.00 0.44 H new ATOM 0 HB2 ARG A 98 10.181 10.673 -6.113 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.391 11.932 -6.266 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.498 11.277 -4.271 1.00 1.02 H new ATOM 0 HG3 ARG A 98 11.131 10.333 -3.714 1.00 1.02 H new ATOM 0 HD2 ARG A 98 13.000 8.935 -4.634 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.466 8.667 -5.438 1.00 0.81 H new ATOM 0 HE ARG A 98 13.053 10.707 -6.780 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.543 7.230 -6.396 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.251 6.838 -7.967 1.00 1.37 H new ATOM 0 HH21 ARG A 98 13.945 10.199 -8.792 1.00 3.10 H new ATOM 0 HH22 ARG A 98 14.042 8.516 -9.320 1.00 3.10 H new ATOM 1724 N TYR A 99 7.682 12.877 -5.833 1.00 0.44 N ATOM 1725 CA TYR A 99 6.768 13.725 -6.571 1.00 0.50 C ATOM 1726 C TYR A 99 6.544 15.017 -5.789 1.00 0.54 C ATOM 1727 O TYR A 99 6.261 16.062 -6.365 1.00 0.64 O ATOM 1728 CB TYR A 99 5.439 13.016 -6.858 1.00 0.53 C ATOM 1729 CG TYR A 99 5.476 12.123 -8.085 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.991 12.593 -9.287 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.992 10.822 -8.048 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.027 11.793 -10.411 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.024 10.015 -9.171 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.544 10.504 -10.348 1.00 0.83 C ATOM 1735 OH TYR A 99 5.588 9.702 -11.467 1.00 0.97 O ATOM 0 H TYR A 99 7.241 12.130 -5.296 1.00 0.44 H new ATOM 0 HA TYR A 99 7.212 13.959 -7.539 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.163 12.416 -5.991 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.658 13.765 -6.988 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.370 13.603 -9.343 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.584 10.434 -7.127 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.432 12.176 -11.336 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.643 9.006 -9.125 1.00 0.71 H new ATOM 0 HH TYR A 99 5.210 8.823 -11.255 1.00 0.97 H new ATOM 1745 N TYR A 100 6.713 14.941 -4.468 1.00 0.51 N ATOM 1746 CA TYR A 100 6.591 16.117 -3.615 1.00 0.58 C ATOM 1747 C TYR A 100 7.870 16.949 -3.656 1.00 0.58 C ATOM 1748 O TYR A 100 7.831 18.161 -3.856 1.00 0.71 O ATOM 1749 CB TYR A 100 6.315 15.733 -2.159 1.00 0.57 C ATOM 1750 CG TYR A 100 5.010 15.013 -1.922 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.870 15.401 -2.602 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.918 13.936 -1.050 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.669 14.747 -2.420 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.719 13.274 -0.863 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.623 13.688 -1.422 1.00 1.21 C ATOM 1756 OH TYR A 100 1.398 13.040 -1.378 1.00 1.48 O ATOM 0 H TYR A 100 6.934 14.079 -3.970 1.00 0.51 H new ATOM 0 HA TYR A 100 5.752 16.697 -3.999 1.00 0.58 H new ATOM 0 HB2 TYR A 100 7.130 15.101 -1.806 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.328 16.638 -1.552 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.921 16.233 -3.289 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.795 13.611 -0.511 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.795 15.011 -2.997 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.694 12.393 -0.238 1.00 1.16 H new ATOM 0 HH TYR A 100 1.423 12.340 -0.693 1.00 1.48 H new ATOM 1766 N THR A 101 9.005 16.276 -3.468 1.00 0.55 N ATOM 1767 CA THR A 101 10.300 16.939 -3.355 1.00 0.66 C ATOM 1768 C THR A 101 10.699 17.666 -4.639 1.00 0.71 C ATOM 1769 O THR A 101 11.508 18.599 -4.618 1.00 0.71 O ATOM 1770 CB THR A 101 11.401 15.929 -2.995 1.00 0.71 C ATOM 1771 OG1 THR A 101 11.437 14.869 -3.959 1.00 0.65 O ATOM 1772 CG2 THR A 101 11.170 15.355 -1.604 1.00 0.87 C ATOM 0 H THR A 101 9.051 15.260 -3.390 1.00 0.55 H new ATOM 0 HA THR A 101 10.195 17.678 -2.561 1.00 0.66 H new ATOM 0 HB THR A 101 12.358 16.451 -3.003 1.00 0.71 H new ATOM 0 HG1 THR A 101 12.143 14.233 -3.720 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.960 14.642 -1.369 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.179 16.162 -0.871 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.205 14.849 -1.575 1.00 0.87 H new ATOM 1780 N GLY A 102 10.117 17.244 -5.756 1.00 0.82 N ATOM 1781 CA GLY A 102 10.482 17.808 -7.038 1.00 0.95 C ATOM 1782 C GLY A 102 11.455 16.935 -7.806 1.00 0.95 C ATOM 1783 O GLY A 102 12.017 17.369 -8.806 1.00 1.16 O ATOM 0 H GLY A 102 9.399 16.521 -5.794 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.582 17.954 -7.635 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.926 18.792 -6.884 1.00 0.95 H new ATOM 1787 N ASN A 103 11.656 15.714 -7.336 1.00 0.82 N ATOM 1788 CA ASN A 103 12.555 14.773 -8.000 1.00 0.89 C ATOM 1789 C ASN A 103 11.746 13.631 -8.607 1.00 0.98 C ATOM 1790 O ASN A 103 11.839 12.481 -8.170 1.00 1.83 O ATOM 1791 CB ASN A 103 13.586 14.232 -7.001 1.00 0.90 C ATOM 1792 CG ASN A 103 14.634 13.349 -7.656 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.990 13.538 -8.819 1.00 1.76 O ATOM 1794 ND2 ASN A 103 15.139 12.379 -6.910 1.00 1.65 N ATOM 0 H ASN A 103 11.209 15.347 -6.496 1.00 0.82 H new ATOM 0 HA ASN A 103 13.089 15.289 -8.798 1.00 0.89 H new ATOM 0 HB2 ASN A 103 14.080 15.069 -6.507 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.071 13.663 -6.227 1.00 0.90 H new ATOM 0 HD21 ASN A 103 15.849 11.756 -7.295 1.00 1.65 H new ATOM 0 HD22 ASN A 103 14.818 12.254 -5.950 1.00 1.65 H new ATOM 1801 N GLU A 104 10.947 13.974 -9.615 1.00 0.56 N ATOM 1802 CA GLU A 104 9.981 13.052 -10.214 1.00 0.56 C ATOM 1803 C GLU A 104 10.630 11.741 -10.665 1.00 0.49 C ATOM 1804 O GLU A 104 11.580 11.741 -11.451 1.00 0.55 O ATOM 1805 CB GLU A 104 9.277 13.727 -11.397 1.00 0.67 C ATOM 1806 CG GLU A 104 8.448 14.938 -10.993 1.00 0.80 C ATOM 1807 CD GLU A 104 7.788 15.626 -12.171 1.00 1.15 C ATOM 1808 OE1 GLU A 104 6.684 15.212 -12.574 1.00 1.75 O ATOM 1809 OE2 GLU A 104 8.370 16.605 -12.685 1.00 1.17 O ATOM 0 H GLU A 104 10.950 14.901 -10.041 1.00 0.56 H new ATOM 0 HA GLU A 104 9.250 12.802 -9.445 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.025 14.035 -12.128 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.630 13.000 -11.889 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.680 14.625 -10.285 1.00 0.80 H new ATOM 0 HG3 GLU A 104 9.088 15.652 -10.474 1.00 0.80 H new ATOM 1816 N PRO A 105 10.124 10.607 -10.151 1.00 0.44 N ATOM 1817 CA PRO A 105 10.621 9.274 -10.513 1.00 0.44 C ATOM 1818 C PRO A 105 10.269 8.904 -11.950 1.00 0.42 C ATOM 1819 O PRO A 105 9.300 9.420 -12.512 1.00 0.47 O ATOM 1820 CB PRO A 105 9.891 8.350 -9.533 1.00 0.48 C ATOM 1821 CG PRO A 105 8.660 9.089 -9.149 1.00 0.53 C ATOM 1822 CD PRO A 105 9.033 10.541 -9.163 1.00 0.49 C ATOM 0 HA PRO A 105 11.708 9.209 -10.455 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.648 7.395 -9.998 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.508 8.133 -8.661 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.849 8.887 -9.848 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.313 8.784 -8.162 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.191 11.169 -9.453 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.360 10.881 -8.180 1.00 0.49 H new ATOM 1830 N THR A 106 11.050 8.019 -12.543 1.00 0.42 N ATOM 1831 CA THR A 106 10.759 7.534 -13.880 1.00 0.42 C ATOM 1832 C THR A 106 9.752 6.395 -13.811 1.00 0.39 C ATOM 1833 O THR A 106 9.413 5.938 -12.719 1.00 0.41 O ATOM 1834 CB THR A 106 12.031 7.043 -14.599 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.615 5.949 -13.877 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.046 8.167 -14.736 1.00 1.05 C ATOM 0 H THR A 106 11.889 7.622 -12.121 1.00 0.42 H new ATOM 0 HA THR A 106 10.345 8.367 -14.448 1.00 0.42 H new ATOM 0 HB THR A 106 11.748 6.708 -15.597 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.994 6.278 -13.035 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.934 7.795 -15.246 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.610 8.982 -15.314 1.00 1.05 H new ATOM 0 HG23 THR A 106 13.322 8.531 -13.746 1.00 1.05 H new ATOM 1844 N LYS A 107 9.282 5.917 -14.952 1.00 0.39 N ATOM 1845 CA LYS A 107 8.353 4.798 -14.956 1.00 0.39 C ATOM 1846 C LYS A 107 9.046 3.548 -14.417 1.00 0.36 C ATOM 1847 O LYS A 107 8.412 2.668 -13.831 1.00 0.38 O ATOM 1848 CB LYS A 107 7.807 4.554 -16.365 1.00 0.43 C ATOM 1849 CG LYS A 107 6.952 3.304 -16.489 1.00 1.33 C ATOM 1850 CD LYS A 107 6.382 3.157 -17.889 1.00 1.66 C ATOM 1851 CE LYS A 107 5.624 1.850 -18.049 1.00 2.22 C ATOM 1852 NZ LYS A 107 4.485 1.746 -17.101 1.00 2.88 N ATOM 0 H LYS A 107 9.524 6.279 -15.874 1.00 0.39 H new ATOM 0 HA LYS A 107 7.509 5.037 -14.308 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.216 5.418 -16.669 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.644 4.480 -17.060 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.551 2.427 -16.245 1.00 1.33 H new ATOM 0 HG3 LYS A 107 6.138 3.346 -15.766 1.00 1.33 H new ATOM 0 HD2 LYS A 107 5.716 3.993 -18.101 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.191 3.201 -18.618 1.00 1.66 H new ATOM 0 HE2 LYS A 107 5.253 1.769 -19.071 1.00 2.22 H new ATOM 0 HE3 LYS A 107 6.305 1.014 -17.890 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 4.666 0.977 -16.424 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 4.379 2.643 -16.586 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 3.612 1.545 -17.628 1.00 2.88 H new ATOM 1866 N ASP A 108 10.361 3.495 -14.589 1.00 0.36 N ATOM 1867 CA ASP A 108 11.144 2.355 -14.134 1.00 0.38 C ATOM 1868 C ASP A 108 11.258 2.367 -12.615 1.00 0.36 C ATOM 1869 O ASP A 108 11.369 1.313 -11.987 1.00 0.38 O ATOM 1870 CB ASP A 108 12.530 2.350 -14.778 1.00 0.47 C ATOM 1871 CG ASP A 108 13.203 0.997 -14.676 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.868 0.102 -15.483 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.068 0.819 -13.794 1.00 2.24 O ATOM 0 H ASP A 108 10.907 4.229 -15.040 1.00 0.36 H new ATOM 0 HA ASP A 108 10.630 1.443 -14.439 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.442 2.632 -15.827 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.155 3.102 -14.297 1.00 0.47 H new ATOM 1878 N ASP A 109 11.228 3.564 -12.025 1.00 0.36 N ATOM 1879 CA ASP A 109 11.125 3.697 -10.575 1.00 0.37 C ATOM 1880 C ASP A 109 9.818 3.080 -10.096 1.00 0.34 C ATOM 1881 O ASP A 109 9.782 2.345 -9.111 1.00 0.36 O ATOM 1882 CB ASP A 109 11.169 5.168 -10.151 1.00 0.39 C ATOM 1883 CG ASP A 109 12.550 5.785 -10.267 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.356 5.651 -9.318 1.00 0.94 O ATOM 1885 OD2 ASP A 109 12.833 6.427 -11.298 1.00 1.73 O ATOM 0 H ASP A 109 11.273 4.450 -12.529 1.00 0.36 H new ATOM 0 HA ASP A 109 11.972 3.179 -10.126 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.472 5.737 -10.766 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.827 5.252 -9.120 1.00 0.39 H new ATOM 1890 N LEU A 110 8.746 3.379 -10.826 1.00 0.30 N ATOM 1891 CA LEU A 110 7.418 2.869 -10.507 1.00 0.30 C ATOM 1892 C LEU A 110 7.365 1.352 -10.661 1.00 0.29 C ATOM 1893 O LEU A 110 6.835 0.656 -9.798 1.00 0.33 O ATOM 1894 CB LEU A 110 6.355 3.528 -11.400 1.00 0.30 C ATOM 1895 CG LEU A 110 5.878 4.920 -10.964 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.046 5.836 -10.660 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.996 5.538 -12.040 1.00 0.82 C ATOM 0 H LEU A 110 8.774 3.979 -11.651 1.00 0.30 H new ATOM 0 HA LEU A 110 7.205 3.118 -9.467 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.755 3.603 -12.411 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.489 2.868 -11.448 1.00 0.30 H new ATOM 0 HG LEU A 110 5.297 4.800 -10.050 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.672 6.813 -10.354 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.644 5.408 -9.855 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.663 5.946 -11.551 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.665 6.525 -11.717 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.563 5.631 -12.966 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.127 4.901 -12.208 1.00 0.82 H new ATOM 1909 N LYS A 111 7.920 0.835 -11.752 1.00 0.28 N ATOM 1910 CA LYS A 111 7.966 -0.610 -11.957 1.00 0.31 C ATOM 1911 C LYS A 111 8.706 -1.278 -10.809 1.00 0.33 C ATOM 1912 O LYS A 111 8.292 -2.320 -10.306 1.00 0.35 O ATOM 1913 CB LYS A 111 8.636 -0.968 -13.285 1.00 0.37 C ATOM 1914 CG LYS A 111 7.840 -0.541 -14.505 1.00 0.93 C ATOM 1915 CD LYS A 111 8.317 -1.231 -15.780 1.00 0.92 C ATOM 1916 CE LYS A 111 9.739 -0.839 -16.161 1.00 1.02 C ATOM 1917 NZ LYS A 111 10.773 -1.654 -15.461 1.00 1.74 N ATOM 0 H LYS A 111 8.340 1.386 -12.500 1.00 0.28 H new ATOM 0 HA LYS A 111 6.939 -0.974 -11.989 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.620 -0.501 -13.323 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.793 -2.046 -13.324 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.786 -0.767 -14.345 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.919 0.539 -14.628 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.266 -2.311 -15.645 1.00 0.92 H new ATOM 0 HD3 LYS A 111 7.643 -0.980 -16.599 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.865 -0.949 -17.238 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.895 0.214 -15.928 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 11.490 -1.024 -15.047 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 10.324 -2.211 -14.706 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 11.228 -2.296 -16.141 1.00 1.74 H new ATOM 1931 N ALA A 112 9.805 -0.659 -10.394 1.00 0.36 N ATOM 1932 CA ALA A 112 10.595 -1.155 -9.281 1.00 0.42 C ATOM 1933 C ALA A 112 9.800 -1.133 -7.981 1.00 0.43 C ATOM 1934 O ALA A 112 9.854 -2.081 -7.199 1.00 0.47 O ATOM 1935 CB ALA A 112 11.872 -0.342 -9.132 1.00 0.46 C ATOM 0 H ALA A 112 10.169 0.194 -10.818 1.00 0.36 H new ATOM 0 HA ALA A 112 10.858 -2.191 -9.496 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.452 -0.727 -8.293 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.461 -0.418 -10.046 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.619 0.702 -8.949 1.00 0.46 H new ATOM 1941 N SER A 113 9.065 -0.053 -7.745 1.00 0.41 N ATOM 1942 CA SER A 113 8.294 0.069 -6.517 1.00 0.45 C ATOM 1943 C SER A 113 7.214 -1.002 -6.413 1.00 0.40 C ATOM 1944 O SER A 113 6.950 -1.505 -5.324 1.00 0.44 O ATOM 1945 CB SER A 113 7.682 1.468 -6.381 1.00 0.54 C ATOM 1946 OG SER A 113 6.831 1.794 -7.468 1.00 1.34 O ATOM 0 H SER A 113 8.987 0.741 -8.380 1.00 0.41 H new ATOM 0 HA SER A 113 8.989 -0.083 -5.691 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.117 1.525 -5.451 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.481 2.206 -6.315 1.00 0.54 H new ATOM 0 HG SER A 113 6.815 1.050 -8.106 1.00 1.34 H new ATOM 1952 N VAL A 114 6.615 -1.389 -7.536 1.00 0.36 N ATOM 1953 CA VAL A 114 5.520 -2.340 -7.497 1.00 0.36 C ATOM 1954 C VAL A 114 6.052 -3.772 -7.536 1.00 0.35 C ATOM 1955 O VAL A 114 5.425 -4.697 -7.031 1.00 0.37 O ATOM 1956 CB VAL A 114 4.531 -2.119 -8.667 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.126 -0.656 -8.767 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.106 -2.604 -9.983 1.00 0.56 C ATOM 0 H VAL A 114 6.868 -1.062 -8.468 1.00 0.36 H new ATOM 0 HA VAL A 114 4.983 -2.179 -6.562 1.00 0.36 H new ATOM 0 HB VAL A 114 3.640 -2.710 -8.456 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.431 -0.527 -9.597 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.645 -0.347 -7.839 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.012 -0.044 -8.937 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.384 -2.432 -10.781 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.024 -2.059 -10.202 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.324 -3.670 -9.914 1.00 0.56 H new ATOM 1962 N LYS A 115 7.220 -3.945 -8.136 1.00 0.35 N ATOM 1963 CA LYS A 115 7.833 -5.259 -8.258 1.00 0.37 C ATOM 1964 C LYS A 115 8.333 -5.752 -6.913 1.00 0.35 C ATOM 1965 O LYS A 115 8.346 -6.955 -6.656 1.00 0.37 O ATOM 1966 CB LYS A 115 8.981 -5.240 -9.270 1.00 0.48 C ATOM 1967 CG LYS A 115 10.311 -4.762 -8.719 1.00 0.84 C ATOM 1968 CD LYS A 115 11.449 -5.046 -9.691 1.00 0.81 C ATOM 1969 CE LYS A 115 11.183 -4.460 -11.068 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.308 -4.718 -12.001 1.00 1.72 N ATOM 0 H LYS A 115 7.765 -3.187 -8.548 1.00 0.35 H new ATOM 0 HA LYS A 115 7.067 -5.946 -8.618 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.110 -6.246 -9.670 1.00 0.48 H new ATOM 0 HB3 LYS A 115 8.699 -4.599 -10.105 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.260 -3.692 -8.519 1.00 0.84 H new ATOM 0 HG3 LYS A 115 10.511 -5.255 -7.768 1.00 0.84 H new ATOM 0 HD2 LYS A 115 12.376 -4.632 -9.294 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.592 -6.123 -9.777 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.267 -4.888 -11.475 1.00 1.16 H new ATOM 0 HE3 LYS A 115 11.021 -3.386 -10.981 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 12.091 -4.304 -12.930 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 13.177 -4.288 -11.625 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 12.446 -5.744 -12.103 1.00 1.72 H new ATOM 1984 N GLU A 116 8.734 -4.839 -6.047 1.00 0.36 N ATOM 1985 CA GLU A 116 9.208 -5.245 -4.738 1.00 0.38 C ATOM 1986 C GLU A 116 8.040 -5.594 -3.830 1.00 0.37 C ATOM 1987 O GLU A 116 8.129 -6.533 -3.056 1.00 0.38 O ATOM 1988 CB GLU A 116 10.105 -4.193 -4.096 1.00 0.43 C ATOM 1989 CG GLU A 116 11.353 -3.898 -4.903 1.00 0.80 C ATOM 1990 CD GLU A 116 12.471 -3.325 -4.064 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.211 -4.116 -3.440 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.630 -2.089 -4.037 1.00 2.27 O ATOM 0 H GLU A 116 8.742 -3.834 -6.220 1.00 0.36 H new ATOM 0 HA GLU A 116 9.819 -6.137 -4.878 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.538 -3.271 -3.967 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.395 -4.531 -3.101 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.697 -4.816 -5.380 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.107 -3.197 -5.700 1.00 0.80 H new ATOM 1999 N VAL A 117 6.937 -4.879 -3.947 1.00 0.36 N ATOM 2000 CA VAL A 117 5.748 -5.229 -3.177 1.00 0.38 C ATOM 2001 C VAL A 117 5.208 -6.578 -3.649 1.00 0.38 C ATOM 2002 O VAL A 117 4.620 -7.326 -2.875 1.00 0.43 O ATOM 2003 CB VAL A 117 4.641 -4.147 -3.264 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.238 -2.764 -3.082 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.861 -4.227 -4.562 1.00 0.78 C ATOM 0 H VAL A 117 6.834 -4.066 -4.555 1.00 0.36 H new ATOM 0 HA VAL A 117 6.044 -5.293 -2.130 1.00 0.38 H new ATOM 0 HB VAL A 117 3.936 -4.338 -2.455 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.448 -2.016 -3.146 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.720 -2.701 -2.106 1.00 0.81 H new ATOM 0 HG13 VAL A 117 5.976 -2.580 -3.863 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.097 -3.449 -4.576 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.539 -4.085 -5.403 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.385 -5.204 -4.641 1.00 0.78 H new ATOM 2009 N LEU A 118 5.447 -6.909 -4.907 1.00 0.36 N ATOM 2010 CA LEU A 118 5.104 -8.233 -5.409 1.00 0.36 C ATOM 2011 C LEU A 118 6.091 -9.255 -4.870 1.00 0.36 C ATOM 2012 O LEU A 118 5.706 -10.363 -4.509 1.00 0.38 O ATOM 2013 CB LEU A 118 5.121 -8.266 -6.945 1.00 0.41 C ATOM 2014 CG LEU A 118 4.025 -7.472 -7.661 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.370 -7.330 -9.135 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.677 -8.156 -7.512 1.00 0.88 C ATOM 0 H LEU A 118 5.873 -6.288 -5.595 1.00 0.36 H new ATOM 0 HA LEU A 118 4.096 -8.475 -5.071 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.088 -7.893 -7.283 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.052 -9.306 -7.264 1.00 0.41 H new ATOM 0 HG LEU A 118 3.963 -6.484 -7.205 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.587 -6.764 -9.639 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.320 -6.805 -9.237 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.451 -8.319 -9.587 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.914 -7.573 -8.029 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.726 -9.155 -7.945 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.422 -8.231 -6.455 1.00 0.88 H new ATOM 2028 N LYS A 119 7.358 -8.865 -4.802 1.00 0.36 N ATOM 2029 CA LYS A 119 8.397 -9.717 -4.261 1.00 0.37 C ATOM 2030 C LYS A 119 8.053 -10.086 -2.827 1.00 0.36 C ATOM 2031 O LYS A 119 8.089 -11.258 -2.444 1.00 0.38 O ATOM 2032 CB LYS A 119 9.743 -8.991 -4.335 1.00 0.39 C ATOM 2033 CG LYS A 119 10.850 -9.668 -3.552 1.00 0.43 C ATOM 2034 CD LYS A 119 12.187 -8.957 -3.726 1.00 0.67 C ATOM 2035 CE LYS A 119 12.134 -7.512 -3.247 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.441 -6.822 -3.417 1.00 0.95 N ATOM 0 H LYS A 119 7.688 -7.954 -5.120 1.00 0.36 H new ATOM 0 HA LYS A 119 8.469 -10.635 -4.845 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.046 -8.913 -5.379 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.617 -7.974 -3.963 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.586 -9.690 -2.495 1.00 0.43 H new ATOM 0 HG3 LYS A 119 10.944 -10.704 -3.879 1.00 0.43 H new ATOM 0 HD2 LYS A 119 12.957 -9.494 -3.173 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.475 -8.980 -4.777 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.365 -6.974 -3.801 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.845 -7.488 -2.196 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.279 -5.807 -3.579 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.015 -6.949 -2.559 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.944 -7.227 -4.232 1.00 0.95 H new ATOM 2050 N LEU A 120 7.712 -9.075 -2.040 1.00 0.36 N ATOM 2051 CA LEU A 120 7.231 -9.277 -0.699 1.00 0.37 C ATOM 2052 C LEU A 120 5.936 -10.088 -0.670 1.00 0.36 C ATOM 2053 O LEU A 120 5.828 -11.024 0.124 1.00 0.38 O ATOM 2054 CB LEU A 120 7.014 -7.927 -0.011 1.00 0.39 C ATOM 2055 CG LEU A 120 8.258 -7.237 0.555 1.00 0.42 C ATOM 2056 CD1 LEU A 120 8.856 -8.093 1.633 1.00 1.06 C ATOM 2057 CD2 LEU A 120 9.303 -6.948 -0.505 1.00 0.99 C ATOM 0 H LEU A 120 7.764 -8.096 -2.322 1.00 0.36 H new ATOM 0 HA LEU A 120 7.990 -9.847 -0.162 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.546 -7.251 -0.727 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.304 -8.070 0.803 1.00 0.39 H new ATOM 0 HG LEU A 120 7.940 -6.277 0.960 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.742 -7.603 2.037 1.00 1.06 H new ATOM 0 HD12 LEU A 120 8.126 -8.238 2.430 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.135 -9.061 1.216 1.00 1.06 H new ATOM 0 HD21 LEU A 120 10.162 -6.459 -0.045 1.00 0.99 H new ATOM 0 HD22 LEU A 120 9.622 -7.883 -0.966 1.00 0.99 H new ATOM 0 HD23 LEU A 120 8.878 -6.294 -1.267 1.00 0.99 H new ATOM 2069 N TYR A 121 4.952 -9.760 -1.510 1.00 0.35 N ATOM 2070 CA TYR A 121 3.657 -10.408 -1.351 1.00 0.36 C ATOM 2071 C TYR A 121 3.688 -11.868 -1.818 1.00 0.38 C ATOM 2072 O TYR A 121 2.994 -12.718 -1.257 1.00 0.41 O ATOM 2073 CB TYR A 121 2.506 -9.615 -1.993 1.00 0.37 C ATOM 2074 CG TYR A 121 1.724 -10.395 -3.030 1.00 0.56 C ATOM 2075 CD1 TYR A 121 2.086 -10.378 -4.373 1.00 0.74 C ATOM 2076 CD2 TYR A 121 0.606 -11.129 -2.665 1.00 0.84 C ATOM 2077 CE1 TYR A 121 1.352 -11.072 -5.317 1.00 1.05 C ATOM 2078 CE2 TYR A 121 -0.127 -11.826 -3.598 1.00 1.13 C ATOM 2079 CZ TYR A 121 0.332 -11.855 -4.940 1.00 1.23 C ATOM 2080 OH TYR A 121 -0.501 -12.480 -5.848 1.00 1.54 O ATOM 0 H TYR A 121 5.022 -9.083 -2.270 1.00 0.35 H new ATOM 0 HA TYR A 121 3.450 -10.418 -0.281 1.00 0.36 H new ATOM 0 HB2 TYR A 121 1.823 -9.286 -1.209 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.912 -8.717 -2.459 1.00 0.37 H new ATOM 0 HD1 TYR A 121 2.953 -9.814 -4.683 1.00 0.74 H new ATOM 0 HD2 TYR A 121 0.304 -11.154 -1.628 1.00 0.84 H new ATOM 0 HE1 TYR A 121 1.602 -10.983 -6.364 1.00 1.05 H new ATOM 0 HE2 TYR A 121 -1.033 -12.340 -3.314 1.00 1.13 H new ATOM 0 HH TYR A 121 -1.360 -12.679 -5.421 1.00 1.54 H new ATOM 2090 N LYS A 122 4.506 -12.163 -2.822 1.00 0.40 N ATOM 2091 CA LYS A 122 4.644 -13.531 -3.314 1.00 0.45 C ATOM 2092 C LYS A 122 5.223 -14.435 -2.233 1.00 0.43 C ATOM 2093 O LYS A 122 4.866 -15.612 -2.128 1.00 0.46 O ATOM 2094 CB LYS A 122 5.547 -13.573 -4.549 1.00 0.52 C ATOM 2095 CG LYS A 122 4.904 -13.013 -5.806 1.00 0.60 C ATOM 2096 CD LYS A 122 5.882 -13.015 -6.971 1.00 1.21 C ATOM 2097 CE LYS A 122 5.217 -12.584 -8.268 1.00 1.27 C ATOM 2098 NZ LYS A 122 4.149 -13.531 -8.688 1.00 1.98 N ATOM 0 H LYS A 122 5.082 -11.477 -3.310 1.00 0.40 H new ATOM 0 HA LYS A 122 3.651 -13.889 -3.586 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.458 -13.013 -4.339 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.843 -14.605 -4.734 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.026 -13.605 -6.064 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.559 -11.996 -5.619 1.00 0.60 H new ATOM 0 HD2 LYS A 122 6.713 -12.346 -6.749 1.00 1.21 H new ATOM 0 HD3 LYS A 122 6.301 -14.014 -7.092 1.00 1.21 H new ATOM 0 HE2 LYS A 122 4.791 -11.589 -8.143 1.00 1.27 H new ATOM 0 HE3 LYS A 122 5.968 -12.513 -9.054 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 3.910 -13.364 -9.686 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 4.486 -14.508 -8.571 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 3.304 -13.384 -8.100 1.00 1.98 H new ATOM 2112 N ALA A 123 6.111 -13.870 -1.427 1.00 0.42 N ATOM 2113 CA ALA A 123 6.829 -14.628 -0.413 1.00 0.43 C ATOM 2114 C ALA A 123 5.992 -14.873 0.836 1.00 0.43 C ATOM 2115 O ALA A 123 6.380 -15.667 1.690 1.00 0.70 O ATOM 2116 CB ALA A 123 8.118 -13.911 -0.043 1.00 0.49 C ATOM 0 H ALA A 123 6.353 -12.880 -1.457 1.00 0.42 H new ATOM 0 HA ALA A 123 7.058 -15.603 -0.843 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.649 -14.485 0.716 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.746 -13.812 -0.928 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.884 -12.921 0.348 1.00 0.49 H new ATOM 2122 N MET A 124 4.850 -14.207 0.961 1.00 0.44 N ATOM 2123 CA MET A 124 4.041 -14.380 2.163 1.00 0.42 C ATOM 2124 C MET A 124 3.373 -15.744 2.149 1.00 0.42 C ATOM 2125 O MET A 124 3.100 -16.297 1.080 1.00 0.42 O ATOM 2126 CB MET A 124 2.965 -13.302 2.294 1.00 0.41 C ATOM 2127 CG MET A 124 3.494 -11.897 2.505 1.00 0.45 C ATOM 2128 SD MET A 124 2.181 -10.732 2.924 1.00 0.50 S ATOM 2129 CE MET A 124 1.068 -10.942 1.537 1.00 0.46 C ATOM 0 H MET A 124 4.471 -13.561 0.269 1.00 0.44 H new ATOM 0 HA MET A 124 4.714 -14.295 3.016 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.349 -13.312 1.394 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.313 -13.559 3.129 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.238 -11.906 3.302 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.001 -11.561 1.600 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.253 -10.222 1.612 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.612 -10.779 0.606 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.661 -11.953 1.547 1.00 0.46 H new ATOM 2139 N SER A 125 3.120 -16.291 3.326 1.00 0.47 N ATOM 2140 CA SER A 125 2.361 -17.523 3.437 1.00 0.54 C ATOM 2141 C SER A 125 0.937 -17.313 2.919 1.00 0.58 C ATOM 2142 O SER A 125 0.419 -16.196 2.990 1.00 0.92 O ATOM 2143 CB SER A 125 2.348 -18.005 4.887 1.00 0.62 C ATOM 2144 OG SER A 125 2.075 -16.935 5.776 1.00 1.18 O ATOM 0 H SER A 125 3.429 -15.901 4.217 1.00 0.47 H new ATOM 0 HA SER A 125 2.837 -18.290 2.826 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.595 -18.784 5.008 1.00 0.62 H new ATOM 0 HB3 SER A 125 3.311 -18.451 5.134 1.00 0.62 H new ATOM 0 HG SER A 125 2.919 -16.552 6.096 1.00 1.18 H new ATOM 2150 N ASP A 126 0.316 -18.355 2.387 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.987 -18.215 1.736 1.00 0.43 C ATOM 2152 C ASP A 126 -2.016 -17.577 2.672 1.00 0.39 C ATOM 2153 O ASP A 126 -2.759 -16.673 2.268 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.492 -19.567 1.239 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.800 -19.451 0.484 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -2.762 -19.182 -0.736 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.872 -19.632 1.100 1.00 1.81 O ATOM 0 H ASP A 126 0.688 -19.305 2.391 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.855 -17.554 0.880 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -0.740 -20.017 0.591 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.624 -20.238 2.088 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.023 -18.022 3.926 1.00 0.38 N ATOM 2163 CA ALA A 127 -2.950 -17.495 4.928 1.00 0.37 C ATOM 2164 C ALA A 127 -2.734 -16.000 5.158 1.00 0.33 C ATOM 2165 O ALA A 127 -3.648 -15.285 5.568 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.803 -18.262 6.234 1.00 0.42 C ATOM 0 H ALA A 127 -1.397 -18.748 4.274 1.00 0.38 H new ATOM 0 HA ALA A 127 -3.964 -17.628 4.551 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.498 -17.861 6.972 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.023 -19.316 6.064 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.783 -18.160 6.603 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.522 -15.536 4.881 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.219 -14.125 5.009 1.00 0.31 C ATOM 2174 C GLY A 128 -1.700 -13.339 3.807 1.00 0.29 C ATOM 2175 O GLY A 128 -2.172 -12.211 3.940 1.00 0.30 O ATOM 0 H GLY A 128 -0.742 -16.114 4.569 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.687 -13.732 5.912 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.143 -13.992 5.124 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.604 -13.954 2.630 1.00 0.32 N ATOM 2180 CA LYS A 129 -2.024 -13.312 1.389 1.00 0.39 C ATOM 2181 C LYS A 129 -3.518 -13.024 1.417 1.00 0.35 C ATOM 2182 O LYS A 129 -3.965 -11.934 1.056 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.713 -14.206 0.187 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.236 -14.484 -0.025 1.00 0.58 C ATOM 2185 CD LYS A 129 -0.031 -15.397 -1.223 1.00 0.59 C ATOM 2186 CE LYS A 129 1.439 -15.654 -1.499 1.00 0.94 C ATOM 2187 NZ LYS A 129 1.631 -16.577 -2.650 1.00 1.32 N ATOM 0 H LYS A 129 -1.238 -14.899 2.511 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.474 -12.376 1.296 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.234 -15.155 0.312 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -2.114 -13.738 -0.712 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.298 -13.546 -0.180 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.185 -14.946 0.868 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -0.538 -16.346 -1.046 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.492 -14.949 -2.103 1.00 0.59 H new ATOM 0 HE2 LYS A 129 1.941 -14.708 -1.703 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.907 -16.078 -0.611 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 2.648 -16.728 -2.808 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.173 -17.488 -2.445 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.206 -16.161 -3.503 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.285 -14.020 1.843 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.731 -13.903 1.905 1.00 0.37 C ATOM 2203 C ALA A 130 -6.160 -12.885 2.953 1.00 0.33 C ATOM 2204 O ALA A 130 -7.151 -12.180 2.773 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.356 -15.260 2.194 1.00 0.42 C ATOM 0 H ALA A 130 -3.924 -14.922 2.152 1.00 0.35 H new ATOM 0 HA ALA A 130 -6.083 -13.550 0.936 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.440 -15.159 2.238 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -6.089 -15.960 1.402 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.987 -15.634 3.149 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.402 -12.793 4.038 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.761 -11.896 5.132 1.00 0.29 C ATOM 2213 C ASP A 131 -5.469 -10.452 4.741 1.00 0.27 C ATOM 2214 O ASP A 131 -6.185 -9.534 5.135 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.016 -12.295 6.407 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.445 -11.513 7.630 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.629 -11.607 8.016 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.591 -10.826 8.227 1.00 0.45 O ATOM 0 H ASP A 131 -4.543 -13.322 4.185 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.829 -11.979 5.331 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.173 -13.358 6.592 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.946 -12.153 6.252 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.433 -10.267 3.929 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.137 -8.964 3.343 1.00 0.22 C ATOM 2225 C PHE A 132 -5.307 -8.498 2.485 1.00 0.23 C ATOM 2226 O PHE A 132 -5.598 -7.302 2.403 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.860 -9.041 2.499 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.530 -7.767 1.772 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -2.056 -6.663 2.460 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.695 -7.675 0.398 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.753 -5.490 1.794 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.394 -6.506 -0.272 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.923 -5.413 0.428 1.00 0.36 C ATOM 0 H PHE A 132 -3.782 -11.005 3.661 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.982 -8.244 4.147 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.024 -9.305 3.147 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.966 -9.846 1.771 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.921 -6.719 3.530 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.063 -8.527 -0.154 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.384 -4.636 2.343 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.527 -6.447 -1.342 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.688 -4.498 -0.095 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.994 -9.454 1.874 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.125 -9.139 1.025 1.00 0.24 C ATOM 2245 C GLY A 133 -8.300 -8.567 1.790 1.00 0.23 C ATOM 2246 O GLY A 133 -9.181 -7.945 1.201 1.00 0.27 O ATOM 0 H GLY A 133 -5.786 -10.449 1.953 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.812 -8.425 0.263 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.443 -10.042 0.504 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.325 -8.772 3.101 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.409 -8.279 3.924 1.00 0.29 C ATOM 2252 C LYS A 134 -9.173 -6.822 4.278 1.00 0.30 C ATOM 2253 O LYS A 134 -10.110 -6.050 4.480 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.499 -9.102 5.204 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.399 -10.594 4.974 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.497 -11.091 4.057 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.123 -12.429 3.463 1.00 1.61 C ATOM 2258 NZ LYS A 134 -10.030 -13.498 4.495 1.00 2.43 N ATOM 0 H LYS A 134 -7.603 -9.278 3.613 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.342 -8.367 3.367 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.703 -8.793 5.881 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.444 -8.882 5.702 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.427 -10.832 4.541 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.458 -11.115 5.930 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.430 -11.181 4.613 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.669 -10.368 3.260 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.864 -12.712 2.715 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -9.167 -12.341 2.947 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -9.821 -14.407 4.035 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -9.270 -13.267 5.167 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -10.934 -13.568 5.005 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.907 -6.463 4.348 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.512 -5.136 4.801 1.00 0.31 C ATOM 2274 C GLN A 135 -7.276 -4.204 3.619 1.00 0.30 C ATOM 2275 O GLN A 135 -7.670 -3.039 3.650 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.257 -5.226 5.675 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.255 -6.420 6.622 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.543 -6.576 7.413 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -7.941 -7.687 7.749 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.200 -5.477 7.724 1.00 0.75 N ATOM 0 H GLN A 135 -7.128 -7.072 4.097 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.325 -4.722 5.398 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.380 -5.283 5.031 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.165 -4.310 6.259 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.081 -7.329 6.046 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.422 -6.319 7.318 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -7.842 -4.568 7.429 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.066 -5.535 8.259 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.647 -4.724 2.574 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.423 -3.958 1.355 1.00 0.26 C ATOM 2291 C PHE A 136 -6.848 -4.776 0.141 1.00 0.23 C ATOM 2292 O PHE A 136 -6.009 -5.274 -0.615 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.954 -3.528 1.242 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.561 -2.510 2.278 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -5.051 -1.216 2.207 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.722 -2.847 3.332 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.711 -0.278 3.162 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.385 -1.915 4.287 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.878 -0.631 4.203 1.00 0.58 C ATOM 0 H PHE A 136 -6.282 -5.676 2.546 1.00 0.26 H new ATOM 0 HA PHE A 136 -7.030 -3.053 1.394 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.315 -4.405 1.341 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.777 -3.115 0.249 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.707 -0.938 1.395 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.330 -3.851 3.403 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -5.096 0.729 3.094 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.733 -2.190 5.103 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.612 0.099 4.953 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.172 -4.912 -0.065 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.736 -5.766 -1.117 1.00 0.30 C ATOM 2311 C PRO A 137 -8.344 -5.310 -2.513 1.00 0.29 C ATOM 2312 O PRO A 137 -8.136 -6.130 -3.400 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.251 -5.642 -0.921 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.441 -4.375 -0.164 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.230 -4.238 0.713 1.00 0.34 C ATOM 0 HA PRO A 137 -8.368 -6.789 -1.039 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.771 -5.611 -1.878 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.648 -6.494 -0.370 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -10.532 -3.525 -0.840 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -11.353 -4.408 0.431 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -8.986 -3.193 0.903 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.380 -4.711 1.683 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.226 -4.000 -2.696 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.883 -3.443 -3.997 1.00 0.36 C ATOM 2325 C PHE A 138 -6.482 -3.873 -4.412 1.00 0.35 C ATOM 2326 O PHE A 138 -6.215 -4.100 -5.589 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.978 -1.918 -3.974 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.876 -1.292 -5.337 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -9.013 -1.092 -6.103 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.649 -0.905 -5.853 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -8.929 -0.518 -7.356 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.560 -0.333 -7.105 1.00 2.23 C ATOM 2333 CZ PHE A 138 -7.701 -0.137 -7.857 1.00 2.31 C ATOM 0 H PHE A 138 -8.363 -3.306 -1.961 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.597 -3.825 -4.727 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.925 -1.627 -3.519 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.185 -1.522 -3.340 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -9.976 -1.389 -5.715 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.753 -1.053 -5.268 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -9.823 -0.367 -7.943 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.598 -0.038 -7.497 1.00 2.23 H new ATOM 0 HZ PHE A 138 -7.633 0.314 -8.836 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.590 -4.003 -3.441 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.229 -4.417 -3.731 1.00 0.36 C ATOM 2345 C LEU A 139 -4.167 -5.920 -3.942 1.00 0.33 C ATOM 2346 O LEU A 139 -3.591 -6.384 -4.922 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.275 -3.995 -2.613 1.00 0.40 C ATOM 2348 CG LEU A 139 -3.066 -2.488 -2.463 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.133 -2.190 -1.300 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.515 -1.901 -3.752 1.00 0.86 C ATOM 0 H LEU A 139 -5.783 -3.829 -2.455 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.913 -3.921 -4.649 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.652 -4.388 -1.669 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.307 -4.463 -2.789 1.00 0.40 H new ATOM 0 HG LEU A 139 -4.030 -2.024 -2.255 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.997 -1.112 -1.210 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.565 -2.580 -0.378 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.168 -2.664 -1.477 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.371 -0.827 -3.631 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.560 -2.371 -3.987 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.218 -2.083 -4.565 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.787 -6.677 -3.040 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.841 -8.131 -3.179 1.00 0.28 C ATOM 2364 C ALA A 140 -5.477 -8.498 -4.514 1.00 0.28 C ATOM 2365 O ALA A 140 -5.122 -9.499 -5.135 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.615 -8.748 -2.028 1.00 0.25 C ATOM 0 H ALA A 140 -5.256 -6.312 -2.211 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.826 -8.527 -3.153 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.645 -9.831 -2.149 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.125 -8.501 -1.086 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.632 -8.356 -2.022 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.420 -7.667 -4.929 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.021 -7.737 -6.251 1.00 0.27 C ATOM 2374 C LYS A 141 -5.959 -7.777 -7.348 1.00 0.29 C ATOM 2375 O LYS A 141 -5.711 -8.817 -7.960 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.898 -6.501 -6.459 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.624 -6.481 -7.790 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.389 -5.186 -7.984 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.195 -5.213 -9.268 1.00 1.76 C ATOM 2380 NZ LYS A 141 -11.245 -6.265 -9.244 1.00 2.58 N ATOM 0 H LYS A 141 -6.794 -6.915 -4.350 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.611 -8.652 -6.312 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.632 -6.449 -5.655 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.276 -5.609 -6.382 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.905 -6.606 -8.600 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.313 -7.324 -7.843 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.055 -5.024 -7.137 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.692 -4.348 -8.007 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.660 -4.240 -9.425 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -9.527 -5.386 -10.112 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -11.946 -6.073 -9.988 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.809 -7.194 -9.410 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -11.716 -6.264 -8.317 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.329 -6.627 -7.573 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.430 -6.433 -8.699 1.00 0.36 C ATOM 2396 C VAL A 142 -3.105 -7.176 -8.537 1.00 0.37 C ATOM 2397 O VAL A 142 -2.341 -7.294 -9.499 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.165 -4.930 -8.932 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.407 -4.119 -8.620 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.999 -4.437 -8.106 1.00 0.48 C ATOM 0 H VAL A 142 -5.430 -5.805 -6.977 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.932 -6.855 -9.570 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.909 -4.799 -9.983 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -5.203 -3.062 -8.789 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -6.223 -4.440 -9.268 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.689 -4.272 -7.578 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.842 -3.375 -8.296 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.213 -4.589 -7.048 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.101 -4.991 -8.378 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.816 -7.649 -7.330 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.617 -8.458 -7.120 1.00 0.36 C ATOM 2406 C PHE A 143 -1.867 -9.898 -7.561 1.00 0.40 C ATOM 2407 O PHE A 143 -1.033 -10.507 -8.235 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.148 -8.440 -5.657 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.651 -7.107 -5.165 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.121 -6.171 -6.038 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.709 -6.795 -3.815 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.339 -4.952 -5.577 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.252 -5.579 -3.350 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.273 -4.656 -4.231 1.00 0.39 C ATOM 0 H PHE A 143 -3.382 -7.492 -6.496 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.825 -8.017 -7.726 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.974 -8.760 -5.022 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.352 -9.175 -5.537 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -0.067 -6.397 -7.093 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.117 -7.513 -3.119 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.750 -4.232 -6.269 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.305 -5.350 -2.296 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.631 -3.704 -3.868 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.024 -10.433 -7.171 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.416 -11.787 -7.552 1.00 0.45 C ATOM 2426 C GLU A 144 -3.659 -11.866 -9.050 1.00 0.45 C ATOM 2427 O GLU A 144 -3.243 -12.818 -9.712 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.675 -12.211 -6.797 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.420 -12.599 -5.353 1.00 0.60 C ATOM 2430 CD GLU A 144 -3.686 -13.914 -5.241 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -2.438 -13.901 -5.216 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -4.345 -14.967 -5.161 1.00 1.55 O ATOM 0 H GLU A 144 -3.707 -9.947 -6.590 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.604 -12.465 -7.290 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.395 -11.393 -6.822 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -5.132 -13.054 -7.315 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.839 -11.817 -4.865 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -5.370 -12.668 -4.823 1.00 0.60 H new ATOM 2439 N SER A 145 -4.335 -10.857 -9.576 1.00 0.43 N ATOM 2440 CA SER A 145 -4.547 -10.745 -11.002 1.00 0.49 C ATOM 2441 C SER A 145 -3.263 -10.250 -11.656 1.00 0.57 C ATOM 2442 O SER A 145 -2.424 -9.634 -10.998 1.00 1.32 O ATOM 2443 CB SER A 145 -5.707 -9.784 -11.271 1.00 0.50 C ATOM 2444 OG SER A 145 -6.868 -10.189 -10.562 1.00 1.29 O ATOM 0 H SER A 145 -4.747 -10.101 -9.029 1.00 0.43 H new ATOM 0 HA SER A 145 -4.804 -11.716 -11.425 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.426 -8.774 -10.972 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.920 -9.753 -12.340 1.00 0.50 H new ATOM 0 HG SER A 145 -6.813 -9.872 -9.636 1.00 1.29 H new ATOM 2450 N GLY A 146 -3.098 -10.525 -12.937 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.874 -10.152 -13.618 1.00 0.78 C ATOM 2452 C GLY A 146 -1.841 -8.688 -14.004 1.00 0.70 C ATOM 2453 O GLY A 146 -1.518 -8.350 -15.140 1.00 1.09 O ATOM 0 H GLY A 146 -3.787 -10.999 -13.520 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -1.023 -10.373 -12.973 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.762 -10.762 -14.514 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.162 -7.817 -13.055 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.205 -6.390 -13.325 1.00 0.48 C ATOM 2459 C LYS A 147 -0.935 -5.721 -12.813 1.00 0.40 C ATOM 2460 O LYS A 147 -0.128 -5.231 -13.600 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.446 -5.764 -12.680 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.987 -4.564 -13.443 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.103 -3.343 -13.299 1.00 1.15 C ATOM 2464 CE LYS A 147 -3.313 -2.363 -14.443 1.00 1.55 C ATOM 2465 NZ LYS A 147 -4.752 -2.087 -14.686 1.00 1.98 N ATOM 0 H LYS A 147 -2.395 -8.075 -12.096 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.266 -6.236 -14.402 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.228 -6.520 -12.606 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.202 -5.458 -11.663 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -4.080 -4.820 -14.499 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -4.988 -4.329 -13.083 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -3.316 -2.848 -12.351 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -2.058 -3.651 -13.270 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -2.798 -1.429 -14.218 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -2.863 -2.765 -15.351 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -4.846 -1.305 -15.365 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.208 -2.938 -15.072 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -5.211 -1.824 -13.791 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.748 -5.721 -11.495 1.00 0.33 N ATOM 2480 CA ALA A 148 0.451 -5.140 -10.902 1.00 0.29 C ATOM 2481 C ALA A 148 1.672 -5.931 -11.329 1.00 0.31 C ATOM 2482 O ALA A 148 2.735 -5.367 -11.590 1.00 0.34 O ATOM 2483 CB ALA A 148 0.349 -5.120 -9.386 1.00 0.33 C ATOM 0 H ALA A 148 -1.407 -6.114 -10.823 1.00 0.33 H new ATOM 0 HA ALA A 148 0.546 -4.112 -11.253 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.255 -4.682 -8.966 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.514 -4.525 -9.087 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.233 -6.139 -9.016 1.00 0.33 H new ATOM 2489 N ALA A 149 1.501 -7.244 -11.397 1.00 0.35 N ATOM 2490 CA ALA A 149 2.548 -8.132 -11.864 1.00 0.41 C ATOM 2491 C ALA A 149 3.026 -7.721 -13.252 1.00 0.43 C ATOM 2492 O ALA A 149 4.227 -7.636 -13.502 1.00 0.51 O ATOM 2493 CB ALA A 149 2.053 -9.569 -11.860 1.00 0.48 C ATOM 0 H ALA A 149 0.638 -7.718 -11.131 1.00 0.35 H new ATOM 0 HA ALA A 149 3.398 -8.058 -11.186 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.846 -10.228 -12.212 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.768 -9.853 -10.847 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.189 -9.658 -12.518 1.00 0.48 H new ATOM 2499 N LYS A 150 2.082 -7.420 -14.137 1.00 0.41 N ATOM 2500 CA LYS A 150 2.413 -7.032 -15.503 1.00 0.46 C ATOM 2501 C LYS A 150 3.108 -5.674 -15.513 1.00 0.45 C ATOM 2502 O LYS A 150 4.046 -5.453 -16.278 1.00 0.59 O ATOM 2503 CB LYS A 150 1.159 -6.992 -16.379 1.00 0.53 C ATOM 2504 CG LYS A 150 1.445 -6.616 -17.828 1.00 1.16 C ATOM 2505 CD LYS A 150 2.286 -7.668 -18.539 1.00 1.45 C ATOM 2506 CE LYS A 150 1.484 -8.924 -18.846 1.00 1.96 C ATOM 2507 NZ LYS A 150 0.363 -8.652 -19.784 1.00 2.82 N ATOM 0 H LYS A 150 1.083 -7.437 -13.933 1.00 0.41 H new ATOM 0 HA LYS A 150 3.092 -7.779 -15.914 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.676 -7.969 -16.353 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.453 -6.276 -15.958 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.503 -6.485 -18.361 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.963 -5.658 -17.858 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.679 -7.252 -19.467 1.00 1.45 H new ATOM 0 HD3 LYS A 150 3.143 -7.928 -17.918 1.00 1.45 H new ATOM 0 HE2 LYS A 150 2.142 -9.679 -19.277 1.00 1.96 H new ATOM 0 HE3 LYS A 150 1.089 -9.338 -17.918 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 0.037 -9.546 -20.204 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 -0.421 -8.205 -19.267 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 0.688 -8.014 -20.538 1.00 2.82 H new ATOM 2521 N PHE A 151 2.652 -4.777 -14.646 1.00 0.35 N ATOM 2522 CA PHE A 151 3.255 -3.456 -14.507 1.00 0.36 C ATOM 2523 C PHE A 151 4.733 -3.585 -14.139 1.00 0.40 C ATOM 2524 O PHE A 151 5.583 -2.868 -14.666 1.00 0.46 O ATOM 2525 CB PHE A 151 2.513 -2.650 -13.434 1.00 0.34 C ATOM 2526 CG PHE A 151 2.879 -1.190 -13.404 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.056 -0.762 -12.810 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.040 -0.245 -13.971 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.389 0.576 -12.783 1.00 0.44 C ATOM 2530 CE2 PHE A 151 2.369 1.095 -13.945 1.00 0.49 C ATOM 2531 CZ PHE A 151 3.545 1.506 -13.351 1.00 0.39 C ATOM 0 H PHE A 151 1.861 -4.942 -14.024 1.00 0.35 H new ATOM 0 HA PHE A 151 3.176 -2.933 -15.460 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.440 -2.742 -13.602 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.721 -3.087 -12.457 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.721 -1.486 -12.362 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.119 -0.560 -14.438 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.310 0.895 -12.317 1.00 0.44 H new ATOM 0 HE2 PHE A 151 1.706 1.822 -14.390 1.00 0.49 H new ATOM 0 HZ PHE A 151 3.803 2.554 -13.331 1.00 0.39 H new ATOM 2541 N ALA A 152 5.023 -4.513 -13.239 1.00 0.39 N ATOM 2542 CA ALA A 152 6.387 -4.761 -12.790 1.00 0.44 C ATOM 2543 C ALA A 152 7.222 -5.433 -13.868 1.00 0.52 C ATOM 2544 O ALA A 152 8.443 -5.276 -13.913 1.00 0.59 O ATOM 2545 CB ALA A 152 6.367 -5.633 -11.547 1.00 0.44 C ATOM 0 H ALA A 152 4.324 -5.113 -12.801 1.00 0.39 H new ATOM 0 HA ALA A 152 6.843 -3.797 -12.564 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.389 -5.816 -11.215 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.813 -5.127 -10.756 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.885 -6.583 -11.777 1.00 0.44 H new ATOM 2551 N GLY A 153 6.559 -6.183 -14.733 1.00 0.65 N ATOM 2552 CA GLY A 153 7.259 -6.951 -15.738 1.00 0.84 C ATOM 2553 C GLY A 153 7.167 -8.435 -15.459 1.00 1.06 C ATOM 2554 O GLY A 153 7.516 -9.256 -16.311 1.00 1.62 O ATOM 0 H GLY A 153 5.543 -6.273 -14.756 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.839 -6.737 -16.721 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.306 -6.648 -15.766 1.00 0.84 H new