USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot -168:sc= 0.946 USER MOD Set 1.2: A 100 CYS SG : rot 180:sc= 0.789 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.59! C(o=-3.6!,f=-4.6!) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0.371 (180deg=0.143) USER MOD Single : A 24 THR OG1 : rot -74:sc= 1.93 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.223) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 42:sc= -0.0519 USER MOD Single : A 37 SER OG : rot -140:sc= -1.43 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 44 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.55 K(o=-1.6,f=-6.7!) USER MOD Single : A 64 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-1.5) USER MOD Single : A 72 TYR OH : rot -139:sc= 0.0648 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.0169 (180deg=-0.182) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.046) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -40:sc= 0.0662 USER MOD Single : A 101 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00757) USER MOD Single : A 110 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 0.520 3.374 -17.769 1.00 62.40 N ATOM 154 CA ARG A 13 1.534 2.992 -16.793 1.00 13.43 C ATOM 155 C ARG A 13 2.708 2.294 -17.473 1.00 51.13 C ATOM 156 O ARG A 13 2.536 1.265 -18.127 1.00 65.25 O ATOM 157 CB ARG A 13 0.927 2.074 -15.730 1.00 71.33 C ATOM 158 CG ARG A 13 0.284 2.823 -14.573 1.00 64.41 C ATOM 159 CD ARG A 13 0.376 2.032 -13.278 1.00 64.44 C ATOM 160 NE ARG A 13 -0.271 2.725 -12.167 1.00 53.53 N ATOM 161 CZ ARG A 13 0.238 3.801 -11.576 1.00 72.45 C ATOM 162 NH1 ARG A 13 1.392 4.304 -11.990 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -0.409 4.376 -10.571 1.00 74.21 N ATOM 0 HA ARG A 13 1.902 3.899 -16.314 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.179 1.435 -16.199 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.706 1.419 -15.340 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.773 3.789 -14.446 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.762 3.024 -14.805 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.088 1.055 -13.416 1.00 64.44 H new ATOM 0 HD3 ARG A 13 1.424 1.856 -13.035 1.00 64.44 H new ATOM 0 HE ARG A 13 -1.162 2.364 -11.826 1.00 53.53 H new ATOM 0 HH11 ARG A 13 1.891 3.865 -12.764 1.00 1.02 H new ATOM 0 HH12 ARG A 13 1.781 5.130 -11.535 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -1.298 3.992 -10.251 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -0.017 5.202 -10.118 1.00 74.21 H new ATOM 177 N ILE A 14 3.899 2.860 -17.313 1.00 31.23 N ATOM 178 CA ILE A 14 5.100 2.292 -17.912 1.00 21.45 C ATOM 179 C ILE A 14 5.508 1.003 -17.207 1.00 33.43 C ATOM 180 O ILE A 14 5.564 0.928 -15.979 1.00 4.22 O ATOM 181 CB ILE A 14 6.276 3.285 -17.863 1.00 63.41 C ATOM 182 CG1 ILE A 14 5.871 4.621 -18.488 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.489 2.706 -18.578 1.00 71.10 C ATOM 184 CD1 ILE A 14 5.533 4.522 -19.959 1.00 72.40 C ATOM 0 H ILE A 14 4.058 3.711 -16.774 1.00 31.23 H new ATOM 0 HA ILE A 14 4.862 2.074 -18.953 1.00 21.45 H new ATOM 0 HB ILE A 14 6.541 3.459 -16.820 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.009 5.018 -17.951 1.00 40.21 H new ATOM 0 HG13 ILE A 14 6.684 5.335 -18.358 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.312 3.420 -18.535 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.788 1.777 -18.093 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.236 2.506 -19.619 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.255 5.506 -20.335 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.400 4.155 -20.508 1.00 72.40 H new ATOM 0 HD13 ILE A 14 4.700 3.833 -20.095 1.00 72.40 H new ATOM 196 N PRO A 15 5.803 -0.037 -18.000 1.00 52.44 N ATOM 197 CA PRO A 15 6.213 -1.343 -17.475 1.00 71.33 C ATOM 198 C PRO A 15 7.602 -1.304 -16.846 1.00 44.54 C ATOM 199 O PRO A 15 8.175 -0.232 -16.651 1.00 21.35 O ATOM 200 CB PRO A 15 6.214 -2.240 -18.714 1.00 32.33 C ATOM 201 CG PRO A 15 6.429 -1.309 -19.857 1.00 35.51 C ATOM 202 CD PRO A 15 5.759 -0.019 -19.472 1.00 52.11 C ATOM 0 HA PRO A 15 5.550 -1.689 -16.682 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.004 -2.989 -18.660 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.271 -2.778 -18.814 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.492 -1.157 -20.041 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.001 -1.712 -20.775 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.286 0.844 -19.879 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.735 0.028 -19.843 1.00 52.11 H new ATOM 210 N GLU A 16 8.138 -2.479 -16.531 1.00 24.10 N ATOM 211 CA GLU A 16 9.460 -2.577 -15.924 1.00 63.23 C ATOM 212 C GLU A 16 10.486 -1.780 -16.724 1.00 23.52 C ATOM 213 O GLU A 16 10.294 -1.515 -17.910 1.00 3.13 O ATOM 214 CB GLU A 16 9.895 -4.041 -15.830 1.00 12.45 C ATOM 215 CG GLU A 16 9.162 -4.827 -14.756 1.00 54.23 C ATOM 216 CD GLU A 16 9.501 -6.304 -14.779 1.00 62.22 C ATOM 217 OE1 GLU A 16 9.525 -6.888 -15.882 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.741 -6.876 -13.696 1.00 11.13 O1- ATOM 0 H GLU A 16 7.677 -3.376 -16.686 1.00 24.10 H new ATOM 0 HA GLU A 16 9.403 -2.158 -14.920 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.733 -4.522 -16.795 1.00 12.45 H new ATOM 0 HB3 GLU A 16 10.966 -4.081 -15.630 1.00 12.45 H new ATOM 0 HG2 GLU A 16 9.411 -4.416 -13.777 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.087 -4.703 -14.890 1.00 54.23 H new ATOM 225 N GLN A 17 11.577 -1.401 -16.065 1.00 15.32 N ATOM 226 CA GLN A 17 12.633 -0.633 -16.713 1.00 43.30 C ATOM 227 C GLN A 17 13.441 -1.512 -17.661 1.00 14.04 C ATOM 228 O GLN A 17 13.498 -2.732 -17.497 1.00 32.12 O ATOM 229 CB GLN A 17 13.557 -0.010 -15.665 1.00 2.54 C ATOM 230 CG GLN A 17 12.816 0.605 -14.489 1.00 15.05 C ATOM 231 CD GLN A 17 13.749 1.236 -13.476 1.00 5.52 C ATOM 232 OE1 GLN A 17 14.931 1.445 -13.750 1.00 25.01 O ATOM 233 NE2 GLN A 17 13.223 1.543 -12.296 1.00 30.14 N ATOM 0 H GLN A 17 11.752 -1.614 -15.083 1.00 15.32 H new ATOM 0 HA GLN A 17 12.165 0.162 -17.293 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.239 -0.775 -15.294 1.00 2.54 H new ATOM 0 HB3 GLN A 17 14.167 0.758 -16.141 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.122 1.360 -14.857 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.220 -0.164 -13.998 1.00 15.05 H new ATOM 0 HE21 GLN A 17 12.238 1.352 -12.112 1.00 30.14 H new ATOM 0 HE22 GLN A 17 13.804 1.970 -11.574 1.00 30.14 H new ATOM 242 N ILE A 18 14.062 -0.886 -18.655 1.00 24.21 N ATOM 243 CA ILE A 18 14.868 -1.612 -19.629 1.00 45.03 C ATOM 244 C ILE A 18 16.114 -0.821 -20.012 1.00 53.13 C ATOM 245 O ILE A 18 16.308 0.308 -19.560 1.00 34.14 O ATOM 246 CB ILE A 18 14.062 -1.927 -20.903 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.403 -0.655 -21.443 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.014 -2.992 -20.618 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.576 -0.471 -22.934 1.00 51.52 C ATOM 0 H ILE A 18 14.023 0.122 -18.807 1.00 24.21 H new ATOM 0 HA ILE A 18 15.166 -2.548 -19.156 1.00 45.03 H new ATOM 0 HB ILE A 18 14.745 -2.311 -21.661 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.339 -0.680 -21.209 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.823 0.209 -20.927 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.453 -3.203 -21.528 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.505 -3.903 -20.275 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.332 -2.634 -19.846 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.084 0.450 -23.246 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.638 -0.414 -23.173 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.131 -1.316 -23.459 1.00 51.52 H new ATOM 261 N ARG A 19 16.955 -1.420 -20.848 1.00 71.23 N ATOM 262 CA ARG A 19 18.183 -0.771 -21.293 1.00 75.34 C ATOM 263 C ARG A 19 18.317 -0.844 -22.811 1.00 62.41 C ATOM 264 O ARG A 19 18.052 -1.883 -23.418 1.00 51.13 O ATOM 265 CB ARG A 19 19.398 -1.424 -20.631 1.00 70.32 C ATOM 266 CG ARG A 19 20.727 -0.925 -21.172 1.00 12.13 C ATOM 267 CD ARG A 19 21.899 -1.652 -20.529 1.00 72.31 C ATOM 268 NE ARG A 19 21.714 -3.100 -20.535 1.00 22.42 N ATOM 269 CZ ARG A 19 22.406 -3.932 -19.766 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.323 -3.461 -18.932 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.181 -5.239 -19.828 1.00 23.13 N ATOM 0 H ARG A 19 16.809 -2.354 -21.231 1.00 71.23 H new ATOM 0 HA ARG A 19 18.137 0.278 -21.000 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.360 -1.239 -19.558 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.341 -2.504 -20.770 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.758 -1.067 -22.252 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.817 0.146 -20.989 1.00 12.13 H new ATOM 0 HD2 ARG A 19 22.817 -1.402 -21.061 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.021 -1.306 -19.502 1.00 72.31 H new ATOM 0 HE ARG A 19 21.015 -3.494 -21.164 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.498 -2.457 -18.880 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.853 -4.102 -18.342 1.00 43.31 H new ATOM 0 HH21 ARG A 19 21.476 -5.605 -20.467 1.00 23.13 H new ATOM 0 HH22 ARG A 19 22.714 -5.877 -19.236 1.00 23.13 H new ATOM 285 N ILE A 20 18.731 0.264 -23.417 1.00 35.55 N ATOM 286 CA ILE A 20 18.901 0.325 -24.863 1.00 64.45 C ATOM 287 C ILE A 20 20.366 0.523 -25.236 1.00 32.03 C ATOM 288 O ILE A 20 21.216 0.734 -24.370 1.00 53.21 O ATOM 289 CB ILE A 20 18.067 1.463 -25.480 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.455 2.806 -24.857 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.581 1.194 -25.291 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.137 3.995 -25.736 1.00 21.13 C ATOM 0 H ILE A 20 18.955 1.131 -22.929 1.00 35.55 H new ATOM 0 HA ILE A 20 18.553 -0.627 -25.263 1.00 64.45 H new ATOM 0 HB ILE A 20 18.275 1.507 -26.549 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.936 2.919 -23.905 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.523 2.801 -24.639 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.005 2.007 -25.732 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.316 0.256 -25.778 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.356 1.126 -24.227 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.439 4.912 -25.231 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.677 3.905 -26.679 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.065 4.025 -25.933 1.00 21.13 H new ATOM 304 N PHE A 21 20.656 0.457 -26.532 1.00 73.53 N ATOM 305 CA PHE A 21 22.018 0.630 -27.021 1.00 64.54 C ATOM 306 C PHE A 21 22.095 1.776 -28.025 1.00 32.43 C ATOM 307 O PHE A 21 21.304 1.845 -28.966 1.00 22.23 O ATOM 308 CB PHE A 21 22.519 -0.664 -27.667 1.00 22.21 C ATOM 309 CG PHE A 21 23.423 -1.467 -26.777 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.947 -2.586 -26.111 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.749 -1.105 -26.605 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.777 -3.327 -25.291 1.00 63.25 C ATOM 313 CE2 PHE A 21 25.584 -1.844 -25.788 1.00 44.12 C ATOM 314 CZ PHE A 21 25.096 -2.955 -25.128 1.00 20.14 C ATOM 0 H PHE A 21 19.965 0.285 -27.262 1.00 73.53 H new ATOM 0 HA PHE A 21 22.654 0.873 -26.170 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.662 -1.276 -27.948 1.00 22.21 H new ATOM 0 HB3 PHE A 21 23.051 -0.419 -28.586 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.916 -2.882 -26.234 1.00 21.22 H new ATOM 0 HD2 PHE A 21 25.135 -0.235 -27.115 1.00 14.32 H new ATOM 0 HE1 PHE A 21 23.394 -4.197 -24.778 1.00 63.25 H new ATOM 0 HE2 PHE A 21 26.617 -1.553 -25.666 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.745 -3.531 -24.486 1.00 20.14 H new ATOM 324 N PHE A 22 23.051 2.674 -27.817 1.00 34.14 N ATOM 325 CA PHE A 22 23.230 3.819 -28.702 1.00 71.33 C ATOM 326 C PHE A 22 24.332 3.549 -29.723 1.00 24.13 C ATOM 327 O PHE A 22 25.514 3.507 -29.382 1.00 42.03 O ATOM 328 CB PHE A 22 23.567 5.071 -27.890 1.00 34.11 C ATOM 329 CG PHE A 22 22.380 5.951 -27.625 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.974 6.218 -26.326 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.668 6.511 -28.673 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.882 7.027 -26.079 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.575 7.322 -28.432 1.00 34.04 C ATOM 334 CZ PHE A 22 20.180 7.580 -27.133 1.00 31.31 C ATOM 0 H PHE A 22 23.714 2.631 -27.043 1.00 34.14 H new ATOM 0 HA PHE A 22 22.295 3.983 -29.237 1.00 71.33 H new ATOM 0 HB2 PHE A 22 24.006 4.770 -26.939 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.324 5.647 -28.422 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.518 5.788 -25.498 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.970 6.312 -29.690 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.577 7.227 -25.063 1.00 43.04 H new ATOM 0 HE2 PHE A 22 20.030 7.754 -29.258 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.325 8.212 -26.942 1.00 31.31 H new ATOM 344 N LYS A 23 23.936 3.368 -30.979 1.00 30.42 N ATOM 345 CA LYS A 23 24.887 3.103 -32.051 1.00 1.30 C ATOM 346 C LYS A 23 25.315 4.399 -32.731 1.00 12.33 C ATOM 347 O LYS A 23 24.542 5.007 -33.474 1.00 50.24 O ATOM 348 CB LYS A 23 24.274 2.152 -33.081 1.00 51.30 C ATOM 349 CG LYS A 23 25.026 2.117 -34.401 1.00 73.32 C ATOM 350 CD LYS A 23 26.462 1.657 -34.212 1.00 53.34 C ATOM 351 CE LYS A 23 27.289 1.881 -35.468 1.00 11.44 C ATOM 352 NZ LYS A 23 28.749 1.774 -35.198 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.962 3.400 -31.279 1.00 30.42 H new ATOM 0 HA LYS A 23 25.769 2.635 -31.613 1.00 1.30 H new ATOM 0 HB2 LYS A 23 24.245 1.146 -32.662 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.242 2.449 -33.268 1.00 51.30 H new ATOM 0 HG2 LYS A 23 24.516 1.447 -35.094 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.017 3.109 -34.852 1.00 73.32 H new ATOM 0 HD2 LYS A 23 26.911 2.197 -33.378 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.475 0.599 -33.951 1.00 53.34 H new ATOM 0 HE2 LYS A 23 27.005 1.150 -36.225 1.00 11.44 H new ATOM 0 HE3 LYS A 23 27.067 2.866 -35.878 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 29.245 1.510 -36.073 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 29.107 2.690 -34.859 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 28.916 1.047 -34.473 1.00 75.34 H new ATOM 366 N THR A 24 26.549 4.819 -32.475 1.00 1.24 N ATOM 367 CA THR A 24 27.080 6.042 -33.063 1.00 41.43 C ATOM 368 C THR A 24 28.041 5.732 -34.205 1.00 55.05 C ATOM 369 O THR A 24 28.328 4.569 -34.489 1.00 23.40 O ATOM 370 CB THR A 24 27.808 6.900 -32.013 1.00 24.11 C ATOM 371 OG1 THR A 24 29.080 6.320 -31.701 1.00 65.51 O ATOM 372 CG2 THR A 24 26.978 7.023 -30.744 1.00 50.11 C ATOM 0 H THR A 24 27.201 4.329 -31.863 1.00 1.24 H new ATOM 0 HA THR A 24 26.228 6.601 -33.451 1.00 41.43 H new ATOM 0 HB THR A 24 27.956 7.896 -32.431 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.949 5.523 -31.146 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.513 7.634 -30.017 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.022 7.492 -30.978 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.803 6.032 -30.326 1.00 50.11 H new ATOM 380 N MET A 25 28.537 6.779 -34.856 1.00 73.10 N ATOM 381 CA MET A 25 29.468 6.618 -35.967 1.00 52.45 C ATOM 382 C MET A 25 30.860 6.256 -35.460 1.00 2.30 C ATOM 383 O MET A 25 31.754 5.935 -36.244 1.00 33.11 O ATOM 384 CB MET A 25 29.532 7.901 -36.798 1.00 30.23 C ATOM 385 CG MET A 25 30.188 7.712 -38.155 1.00 63.33 C ATOM 386 SD MET A 25 30.167 9.217 -39.151 1.00 45.42 S ATOM 387 CE MET A 25 29.395 8.619 -40.652 1.00 4.22 C ATOM 0 H MET A 25 28.310 7.748 -34.633 1.00 73.10 H new ATOM 0 HA MET A 25 29.107 5.805 -36.597 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.521 8.282 -36.942 1.00 30.23 H new ATOM 0 HB3 MET A 25 30.082 8.659 -36.240 1.00 30.23 H new ATOM 0 HG2 MET A 25 31.219 7.388 -38.014 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.675 6.916 -38.695 1.00 63.33 H new ATOM 0 HE1 MET A 25 29.311 9.436 -41.369 1.00 4.22 H new ATOM 0 HE2 MET A 25 30.002 7.821 -41.080 1.00 4.22 H new ATOM 0 HE3 MET A 25 28.401 8.235 -40.422 1.00 4.22 H new ATOM 397 N LYS A 26 31.039 6.312 -34.144 1.00 24.12 N ATOM 398 CA LYS A 26 32.323 5.990 -33.532 1.00 45.31 C ATOM 399 C LYS A 26 32.283 4.612 -32.878 1.00 52.32 C ATOM 400 O LYS A 26 33.256 3.860 -32.936 1.00 42.42 O ATOM 401 CB LYS A 26 32.694 7.049 -32.491 1.00 13.34 C ATOM 402 CG LYS A 26 33.438 8.238 -33.073 1.00 61.12 C ATOM 403 CD LYS A 26 34.940 8.100 -32.892 1.00 13.14 C ATOM 404 CE LYS A 26 35.545 7.179 -33.941 1.00 42.23 C ATOM 405 NZ LYS A 26 35.679 5.782 -33.442 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.311 6.577 -33.481 1.00 24.12 H new ATOM 0 HA LYS A 26 33.079 5.979 -34.317 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.785 7.402 -32.004 1.00 13.34 H new ATOM 0 HB3 LYS A 26 33.310 6.588 -31.719 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.206 8.330 -34.134 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.095 9.154 -32.591 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.407 9.083 -32.956 1.00 13.14 H new ATOM 0 HD3 LYS A 26 35.153 7.710 -31.897 1.00 13.14 H new ATOM 0 HE2 LYS A 26 34.921 7.187 -34.835 1.00 42.23 H new ATOM 0 HE3 LYS A 26 36.525 7.556 -34.233 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 36.686 5.529 -33.384 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.249 5.708 -32.498 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 35.196 5.132 -34.095 1.00 4.53 H new ATOM 419 N GLN A 27 31.152 4.288 -32.261 1.00 23.51 N ATOM 420 CA GLN A 27 30.986 2.999 -31.598 1.00 54.41 C ATOM 421 C GLN A 27 29.616 2.897 -30.939 1.00 32.12 C ATOM 422 O GLN A 27 28.839 3.852 -30.949 1.00 31.42 O ATOM 423 CB GLN A 27 32.085 2.795 -30.553 1.00 35.15 C ATOM 424 CG GLN A 27 32.331 4.017 -29.682 1.00 31.13 C ATOM 425 CD GLN A 27 33.204 3.712 -28.482 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.354 4.145 -28.410 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.661 2.962 -27.530 1.00 44.23 N ATOM 0 H GLN A 27 30.337 4.899 -32.206 1.00 23.51 H new ATOM 0 HA GLN A 27 31.063 2.218 -32.354 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.817 1.953 -29.915 1.00 35.15 H new ATOM 0 HB3 GLN A 27 33.012 2.528 -31.060 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.803 4.796 -30.281 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.375 4.413 -29.340 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.704 2.624 -27.631 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.201 2.724 -26.698 1.00 44.23 H new ATOM 436 N VAL A 28 29.324 1.734 -30.366 1.00 3.05 N ATOM 437 CA VAL A 28 28.046 1.508 -29.701 1.00 24.14 C ATOM 438 C VAL A 28 28.205 1.524 -28.185 1.00 72.01 C ATOM 439 O VAL A 28 28.971 0.741 -27.622 1.00 14.41 O ATOM 440 CB VAL A 28 27.422 0.166 -30.127 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.001 0.046 -29.598 1.00 4.54 C ATOM 442 CG2 VAL A 28 27.449 0.022 -31.641 1.00 44.43 C ATOM 0 H VAL A 28 29.955 0.933 -30.349 1.00 3.05 H new ATOM 0 HA VAL A 28 27.384 2.320 -30.002 1.00 24.14 H new ATOM 0 HB VAL A 28 28.014 -0.642 -29.697 1.00 50.21 H new ATOM 0 HG11 VAL A 28 25.576 -0.909 -29.909 1.00 4.54 H new ATOM 0 HG12 VAL A 28 26.012 0.101 -28.509 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.395 0.860 -29.996 1.00 4.54 H new ATOM 0 HG21 VAL A 28 27.004 -0.932 -31.924 1.00 44.43 H new ATOM 0 HG22 VAL A 28 26.882 0.835 -32.094 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.480 0.060 -31.992 1.00 44.43 H new ATOM 452 N VAL A 29 27.476 2.420 -27.528 1.00 62.35 N ATOM 453 CA VAL A 29 27.534 2.537 -26.076 1.00 73.41 C ATOM 454 C VAL A 29 26.184 2.219 -25.444 1.00 41.43 C ATOM 455 O VAL A 29 25.127 2.433 -26.038 1.00 63.42 O ATOM 456 CB VAL A 29 27.972 3.949 -25.643 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.484 4.091 -25.729 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.280 5.004 -26.495 1.00 63.42 C ATOM 0 H VAL A 29 26.838 3.076 -27.979 1.00 62.35 H new ATOM 0 HA VAL A 29 28.273 1.814 -25.730 1.00 73.41 H new ATOM 0 HB VAL A 29 27.677 4.100 -24.605 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.773 5.095 -25.419 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.956 3.359 -25.074 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.808 3.921 -26.756 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.600 5.996 -26.177 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.544 4.856 -27.542 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.200 4.916 -26.377 1.00 63.42 H new ATOM 468 N PRO A 30 26.216 1.697 -24.209 1.00 73.00 N ATOM 469 CA PRO A 30 25.003 1.339 -23.469 1.00 3.14 C ATOM 470 C PRO A 30 24.207 2.565 -23.035 1.00 71.14 C ATOM 471 O PRO A 30 24.762 3.650 -22.865 1.00 11.03 O ATOM 472 CB PRO A 30 25.542 0.591 -22.246 1.00 20.11 C ATOM 473 CG PRO A 30 26.925 1.113 -22.061 1.00 44.03 C ATOM 474 CD PRO A 30 27.441 1.416 -23.441 1.00 41.22 C ATOM 0 HA PRO A 30 24.313 0.752 -24.075 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.927 0.778 -21.365 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.544 -0.487 -22.410 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.924 2.008 -21.439 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.556 0.378 -21.561 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.118 2.270 -23.438 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.992 0.573 -23.858 1.00 41.22 H new ATOM 482 N ALA A 31 22.902 2.384 -22.857 1.00 53.34 N ATOM 483 CA ALA A 31 22.030 3.475 -22.441 1.00 43.44 C ATOM 484 C ALA A 31 20.848 2.954 -21.629 1.00 41.51 C ATOM 485 O ALA A 31 19.900 2.394 -22.180 1.00 52.01 O ATOM 486 CB ALA A 31 21.537 4.249 -23.655 1.00 11.05 C ATOM 0 H ALA A 31 22.426 1.492 -22.994 1.00 53.34 H new ATOM 0 HA ALA A 31 22.607 4.146 -21.805 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.887 5.061 -23.329 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.390 4.661 -24.195 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.981 3.580 -24.312 1.00 11.05 H new ATOM 492 N LYS A 32 20.912 3.139 -20.314 1.00 42.21 N ATOM 493 CA LYS A 32 19.849 2.688 -19.426 1.00 42.03 C ATOM 494 C LYS A 32 18.638 3.612 -19.514 1.00 53.43 C ATOM 495 O LYS A 32 18.778 4.834 -19.548 1.00 15.15 O ATOM 496 CB LYS A 32 20.353 2.630 -17.982 1.00 10.13 C ATOM 497 CG LYS A 32 20.747 3.985 -17.419 1.00 15.14 C ATOM 498 CD LYS A 32 21.500 3.846 -16.107 1.00 43.25 C ATOM 499 CE LYS A 32 22.123 5.166 -15.680 1.00 41.14 C ATOM 500 NZ LYS A 32 23.190 4.971 -14.659 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.690 3.599 -19.841 1.00 42.21 H new ATOM 0 HA LYS A 32 19.547 1.689 -19.740 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.576 2.197 -17.352 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.213 1.962 -17.933 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.368 4.514 -18.142 1.00 15.14 H new ATOM 0 HG3 LYS A 32 19.853 4.590 -17.264 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.819 3.496 -15.331 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.280 3.091 -16.212 1.00 43.25 H new ATOM 0 HE2 LYS A 32 22.542 5.669 -16.552 1.00 41.14 H new ATOM 0 HE3 LYS A 32 21.349 5.819 -15.277 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 23.590 5.894 -14.394 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 22.785 4.514 -13.817 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 23.941 4.369 -15.052 1.00 23.12 H new ATOM 514 N ALA A 33 17.449 3.020 -19.549 1.00 74.42 N ATOM 515 CA ALA A 33 16.214 3.790 -19.631 1.00 62.44 C ATOM 516 C ALA A 33 15.251 3.402 -18.514 1.00 33.43 C ATOM 517 O ALA A 33 14.788 2.263 -18.446 1.00 52.11 O ATOM 518 CB ALA A 33 15.556 3.591 -20.988 1.00 44.12 C ATOM 0 H ALA A 33 17.315 2.009 -19.522 1.00 74.42 H new ATOM 0 HA ALA A 33 16.464 4.844 -19.512 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.635 4.172 -21.034 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.235 3.923 -21.774 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.326 2.535 -21.130 1.00 44.12 H new ATOM 524 N VAL A 34 14.953 4.355 -17.638 1.00 63.33 N ATOM 525 CA VAL A 34 14.045 4.114 -16.523 1.00 45.44 C ATOM 526 C VAL A 34 12.620 4.525 -16.875 1.00 54.42 C ATOM 527 O VAL A 34 12.406 5.445 -17.667 1.00 75.20 O ATOM 528 CB VAL A 34 14.490 4.877 -15.260 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.443 6.378 -15.500 1.00 2.34 C ATOM 530 CG2 VAL A 34 13.621 4.491 -14.072 1.00 72.31 C ATOM 0 H VAL A 34 15.328 5.303 -17.679 1.00 63.33 H new ATOM 0 HA VAL A 34 14.072 3.043 -16.320 1.00 45.44 H new ATOM 0 HB VAL A 34 15.520 4.602 -15.033 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.760 6.901 -14.598 1.00 2.34 H new ATOM 0 HG12 VAL A 34 15.110 6.636 -16.323 1.00 2.34 H new ATOM 0 HG13 VAL A 34 13.425 6.674 -15.752 1.00 2.34 H new ATOM 0 HG21 VAL A 34 13.949 5.039 -13.188 1.00 72.31 H new ATOM 0 HG22 VAL A 34 12.581 4.737 -14.287 1.00 72.31 H new ATOM 0 HG23 VAL A 34 13.710 3.420 -13.889 1.00 72.31 H new ATOM 540 N CYS A 35 11.648 3.839 -16.284 1.00 52.54 N ATOM 541 CA CYS A 35 10.242 4.133 -16.536 1.00 31.55 C ATOM 542 C CYS A 35 9.965 5.626 -16.400 1.00 12.13 C ATOM 543 O CYS A 35 10.052 6.188 -15.310 1.00 51.25 O ATOM 544 CB CYS A 35 9.354 3.348 -15.569 1.00 11.41 C ATOM 545 SG CYS A 35 9.861 3.470 -13.838 1.00 13.12 S ATOM 0 H CYS A 35 11.808 3.075 -15.627 1.00 52.54 H new ATOM 0 HA CYS A 35 10.011 3.831 -17.558 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.329 3.706 -15.662 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.354 2.298 -15.863 1.00 11.41 H new ATOM 0 HG CYS A 35 10.207 4.695 -13.572 1.00 13.12 H new ATOM 551 N GLY A 36 9.634 6.265 -17.519 1.00 33.13 N ATOM 552 CA GLY A 36 9.351 7.689 -17.504 1.00 22.01 C ATOM 553 C GLY A 36 10.462 8.507 -18.132 1.00 2.31 C ATOM 554 O GLY A 36 10.445 9.736 -18.074 1.00 12.12 O ATOM 0 H GLY A 36 9.557 5.822 -18.435 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.419 7.877 -18.038 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.200 8.016 -16.475 1.00 22.01 H new ATOM 558 N SER A 37 11.432 7.824 -18.732 1.00 14.13 N ATOM 559 CA SER A 37 12.558 8.495 -19.369 1.00 31.10 C ATOM 560 C SER A 37 12.316 8.661 -20.866 1.00 73.20 C ATOM 561 O SER A 37 11.264 8.283 -21.383 1.00 73.03 O ATOM 562 CB SER A 37 13.848 7.705 -19.136 1.00 61.42 C ATOM 563 OG SER A 37 14.415 8.017 -17.875 1.00 54.42 O ATOM 0 H SER A 37 11.460 6.806 -18.790 1.00 14.13 H new ATOM 0 HA SER A 37 12.659 9.484 -18.922 1.00 31.10 H new ATOM 0 HB2 SER A 37 13.639 6.637 -19.190 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.564 7.930 -19.926 1.00 61.42 H new ATOM 0 HG SER A 37 15.390 8.074 -17.960 1.00 54.42 H new ATOM 569 N THR A 38 13.296 9.233 -21.558 1.00 25.44 N ATOM 570 CA THR A 38 13.191 9.452 -22.995 1.00 13.34 C ATOM 571 C THR A 38 14.508 9.144 -23.697 1.00 44.22 C ATOM 572 O THR A 38 15.585 9.336 -23.131 1.00 73.14 O ATOM 573 CB THR A 38 12.781 10.903 -23.313 1.00 44.44 C ATOM 574 OG1 THR A 38 11.933 11.410 -22.277 1.00 11.42 O ATOM 575 CG2 THR A 38 12.058 10.980 -24.649 1.00 11.40 C ATOM 0 H THR A 38 14.172 9.553 -21.146 1.00 25.44 H new ATOM 0 HA THR A 38 12.420 8.774 -23.362 1.00 13.34 H new ATOM 0 HB THR A 38 13.685 11.509 -23.371 1.00 44.44 H new ATOM 0 HG1 THR A 38 11.678 12.333 -22.485 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.778 12.014 -24.852 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.716 10.620 -25.440 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.161 10.362 -24.613 1.00 11.40 H new ATOM 583 N VAL A 39 14.417 8.664 -24.933 1.00 70.42 N ATOM 584 CA VAL A 39 15.602 8.329 -25.713 1.00 33.14 C ATOM 585 C VAL A 39 16.582 9.496 -25.751 1.00 42.12 C ATOM 586 O VAL A 39 17.712 9.388 -25.275 1.00 10.21 O ATOM 587 CB VAL A 39 15.232 7.937 -27.157 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.470 7.501 -27.926 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.180 6.838 -27.157 1.00 35.23 C ATOM 0 H VAL A 39 13.534 8.498 -25.416 1.00 70.42 H new ATOM 0 HA VAL A 39 16.073 7.477 -25.223 1.00 33.14 H new ATOM 0 HB VAL A 39 14.813 8.810 -27.656 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.189 7.228 -28.943 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.188 8.321 -27.955 1.00 4.01 H new ATOM 0 HG13 VAL A 39 16.922 6.641 -27.431 1.00 4.01 H new ATOM 0 HG21 VAL A 39 13.930 6.573 -28.184 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.570 5.961 -26.641 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.285 7.191 -26.646 1.00 35.23 H new ATOM 599 N LEU A 40 16.141 10.613 -26.320 1.00 4.40 N ATOM 600 CA LEU A 40 16.980 11.803 -26.421 1.00 4.13 C ATOM 601 C LEU A 40 17.521 12.205 -25.052 1.00 3.52 C ATOM 602 O LEU A 40 18.638 12.709 -24.939 1.00 65.40 O ATOM 603 CB LEU A 40 16.186 12.961 -27.028 1.00 11.34 C ATOM 604 CG LEU A 40 16.066 12.966 -28.552 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.442 13.047 -29.195 1.00 31.55 C ATOM 606 CD2 LEU A 40 15.324 11.728 -29.033 1.00 22.30 C ATOM 0 H LEU A 40 15.208 10.720 -26.718 1.00 4.40 H new ATOM 0 HA LEU A 40 17.823 11.569 -27.071 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.182 12.948 -26.604 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.651 13.897 -26.717 1.00 11.34 H new ATOM 0 HG LEU A 40 15.495 13.846 -28.849 1.00 34.30 H new ATOM 0 HD11 LEU A 40 17.337 13.049 -30.280 1.00 31.55 H new ATOM 0 HD12 LEU A 40 17.939 13.963 -28.876 1.00 31.55 H new ATOM 0 HD13 LEU A 40 18.037 12.186 -28.890 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.248 11.749 -30.120 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.868 10.835 -28.724 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.324 11.712 -28.600 1.00 22.30 H new ATOM 618 N ASP A 41 16.722 11.975 -24.015 1.00 72.45 N ATOM 619 CA ASP A 41 17.121 12.310 -22.653 1.00 42.14 C ATOM 620 C ASP A 41 18.186 11.342 -22.146 1.00 25.23 C ATOM 621 O ASP A 41 18.996 11.690 -21.287 1.00 10.41 O ATOM 622 CB ASP A 41 15.908 12.286 -21.723 1.00 13.44 C ATOM 623 CG ASP A 41 16.057 13.237 -20.552 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.518 12.933 -19.467 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.714 14.286 -20.719 1.00 64.23 O1- ATOM 0 H ASP A 41 15.794 11.558 -24.092 1.00 72.45 H new ATOM 0 HA ASP A 41 17.543 13.315 -22.661 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.015 12.549 -22.289 1.00 13.44 H new ATOM 0 HB3 ASP A 41 15.761 11.273 -21.348 1.00 13.44 H new ATOM 630 N VAL A 42 18.177 10.126 -22.683 1.00 2.11 N ATOM 631 CA VAL A 42 19.141 9.108 -22.284 1.00 13.25 C ATOM 632 C VAL A 42 20.504 9.363 -22.919 1.00 11.24 C ATOM 633 O VAL A 42 21.538 9.250 -22.260 1.00 54.34 O ATOM 634 CB VAL A 42 18.662 7.697 -22.676 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.725 6.661 -22.342 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.349 7.370 -21.981 1.00 61.21 C ATOM 0 H VAL A 42 17.513 9.822 -23.395 1.00 2.11 H new ATOM 0 HA VAL A 42 19.231 9.166 -21.199 1.00 13.25 H new ATOM 0 HB VAL A 42 18.493 7.674 -23.753 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.369 5.670 -22.626 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.640 6.889 -22.889 1.00 3.53 H new ATOM 0 HG13 VAL A 42 19.928 6.681 -21.271 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.024 6.370 -22.269 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.489 7.409 -20.901 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.591 8.096 -22.275 1.00 61.21 H new ATOM 646 N ALA A 43 20.497 9.711 -24.202 1.00 21.42 N ATOM 647 CA ALA A 43 21.734 9.986 -24.925 1.00 20.42 C ATOM 648 C ALA A 43 22.561 11.051 -24.213 1.00 42.52 C ATOM 649 O ALA A 43 23.788 11.070 -24.317 1.00 14.32 O ATOM 650 CB ALA A 43 21.426 10.420 -26.350 1.00 62.22 C ATOM 0 H ALA A 43 19.650 9.809 -24.762 1.00 21.42 H new ATOM 0 HA ALA A 43 22.321 9.068 -24.955 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.358 10.622 -26.878 1.00 62.22 H new ATOM 0 HB2 ALA A 43 20.883 9.626 -26.863 1.00 62.22 H new ATOM 0 HB3 ALA A 43 20.816 11.323 -26.331 1.00 62.22 H new ATOM 656 N HIS A 44 21.882 11.935 -23.488 1.00 12.51 N ATOM 657 CA HIS A 44 22.556 13.003 -22.760 1.00 50.24 C ATOM 658 C HIS A 44 23.268 12.455 -21.527 1.00 54.31 C ATOM 659 O HIS A 44 24.268 13.013 -21.075 1.00 12.45 O ATOM 660 CB HIS A 44 21.551 14.078 -22.345 1.00 75.20 C ATOM 661 CG HIS A 44 20.868 14.739 -23.503 1.00 61.53 C ATOM 662 ND1 HIS A 44 19.799 15.598 -23.356 1.00 44.12 N ATOM 663 CD2 HIS A 44 21.109 14.664 -24.832 1.00 13.23 C ATOM 664 CE1 HIS A 44 19.411 16.021 -24.546 1.00 32.52 C ATOM 665 NE2 HIS A 44 20.189 15.469 -25.459 1.00 53.52 N ATOM 0 H HIS A 44 20.867 11.932 -23.390 1.00 12.51 H new ATOM 0 HA HIS A 44 23.300 13.446 -23.421 1.00 50.24 H new ATOM 0 HB2 HIS A 44 20.798 13.629 -21.698 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.066 14.837 -21.756 1.00 75.20 H new ATOM 0 HD2 HIS A 44 21.881 14.080 -25.311 1.00 13.23 H new ATOM 0 HE1 HIS A 44 18.596 16.703 -24.739 1.00 32.52 H new ATOM 0 HE2 HIS A 44 20.118 15.616 -26.466 1.00 53.52 H new ATOM 673 N LYS A 45 22.747 11.358 -20.988 1.00 13.22 N ATOM 674 CA LYS A 45 23.333 10.732 -19.808 1.00 44.10 C ATOM 675 C LYS A 45 24.615 9.987 -20.168 1.00 71.53 C ATOM 676 O LYS A 45 25.659 10.195 -19.550 1.00 73.03 O ATOM 677 CB LYS A 45 22.333 9.768 -19.167 1.00 74.53 C ATOM 678 CG LYS A 45 20.919 10.320 -19.093 1.00 40.45 C ATOM 679 CD LYS A 45 20.862 11.600 -18.277 1.00 63.15 C ATOM 680 CE LYS A 45 20.064 11.411 -16.997 1.00 32.12 C ATOM 681 NZ LYS A 45 20.915 10.910 -15.882 1.00 61.40 N1+ ATOM 0 H LYS A 45 21.920 10.884 -21.350 1.00 13.22 H new ATOM 0 HA LYS A 45 23.579 11.518 -19.094 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.322 8.838 -19.735 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.672 9.522 -18.160 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.550 10.513 -20.100 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.259 9.575 -18.649 1.00 40.45 H new ATOM 0 HD2 LYS A 45 21.874 11.921 -18.032 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.412 12.393 -18.874 1.00 63.15 H new ATOM 0 HE2 LYS A 45 19.609 12.359 -16.709 1.00 32.12 H new ATOM 0 HE3 LYS A 45 19.250 10.709 -17.177 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 20.334 10.794 -15.027 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.329 9.993 -16.146 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 21.677 11.592 -15.693 1.00 61.40 H new ATOM 695 N ASN A 46 24.528 9.119 -21.171 1.00 44.51 N ATOM 696 CA ASN A 46 25.682 8.344 -21.613 1.00 43.23 C ATOM 697 C ASN A 46 26.682 9.229 -22.352 1.00 15.11 C ATOM 698 O ASN A 46 27.874 8.930 -22.400 1.00 20.00 O ATOM 699 CB ASN A 46 25.234 7.196 -22.519 1.00 55.02 C ATOM 700 CG ASN A 46 26.348 6.202 -22.787 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.931 6.184 -23.871 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.648 5.370 -21.797 1.00 50.43 N ATOM 0 H ASN A 46 23.671 8.935 -21.693 1.00 44.51 H new ATOM 0 HA ASN A 46 26.171 7.932 -20.730 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.393 6.679 -22.057 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.877 7.602 -23.466 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.389 4.679 -21.918 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.138 5.421 -20.915 1.00 50.43 H new ATOM 709 N GLY A 47 26.186 10.321 -22.924 1.00 71.54 N ATOM 710 CA GLY A 47 27.049 11.233 -23.652 1.00 65.12 C ATOM 711 C GLY A 47 26.883 11.115 -25.154 1.00 62.25 C ATOM 712 O GLY A 47 27.448 11.902 -25.913 1.00 22.30 O ATOM 0 H GLY A 47 25.203 10.591 -22.897 1.00 71.54 H new ATOM 0 HA2 GLY A 47 26.832 12.256 -23.345 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.088 11.034 -23.388 1.00 65.12 H new ATOM 716 N VAL A 48 26.107 10.126 -25.586 1.00 31.22 N ATOM 717 CA VAL A 48 25.869 9.905 -27.008 1.00 41.02 C ATOM 718 C VAL A 48 25.416 11.188 -27.694 1.00 3.44 C ATOM 719 O VAL A 48 24.695 11.997 -27.109 1.00 22.32 O ATOM 720 CB VAL A 48 24.809 8.811 -27.236 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.561 8.610 -28.723 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.237 7.509 -26.577 1.00 32.44 C ATOM 0 H VAL A 48 25.632 9.465 -24.971 1.00 31.22 H new ATOM 0 HA VAL A 48 26.815 9.579 -27.441 1.00 41.02 H new ATOM 0 HB VAL A 48 23.874 9.133 -26.777 1.00 34.34 H new ATOM 0 HG11 VAL A 48 23.809 7.833 -28.865 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.207 9.543 -29.162 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.489 8.310 -29.209 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.476 6.747 -26.748 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.184 7.179 -27.005 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.358 7.666 -25.505 1.00 32.44 H new ATOM 732 N ASP A 49 25.844 11.369 -28.939 1.00 40.14 N ATOM 733 CA ASP A 49 25.480 12.554 -29.707 1.00 14.22 C ATOM 734 C ASP A 49 24.279 12.273 -30.604 1.00 34.02 C ATOM 735 O ASP A 49 24.433 11.959 -31.786 1.00 75.21 O ATOM 736 CB ASP A 49 26.666 13.022 -30.553 1.00 52.55 C ATOM 737 CG ASP A 49 26.280 14.105 -31.542 1.00 23.12 C ATOM 738 OD1 ASP A 49 26.226 13.809 -32.754 1.00 1.55 O ATOM 739 OD2 ASP A 49 26.031 15.247 -31.103 1.00 61.21 O1- ATOM 0 H ASP A 49 26.443 10.711 -29.437 1.00 40.14 H new ATOM 0 HA ASP A 49 25.209 13.343 -29.005 1.00 14.22 H new ATOM 0 HB2 ASP A 49 27.451 13.397 -29.897 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.081 12.171 -31.094 1.00 52.55 H new ATOM 744 N LEU A 50 23.084 12.386 -30.037 1.00 12.10 N ATOM 745 CA LEU A 50 21.855 12.142 -30.785 1.00 14.20 C ATOM 746 C LEU A 50 21.355 13.426 -31.442 1.00 31.24 C ATOM 747 O LEU A 50 21.221 14.458 -30.786 1.00 24.23 O ATOM 748 CB LEU A 50 20.777 11.573 -29.862 1.00 11.15 C ATOM 749 CG LEU A 50 19.717 10.696 -30.529 1.00 12.15 C ATOM 750 CD1 LEU A 50 18.935 11.494 -31.561 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.362 9.476 -31.171 1.00 5.33 C ATOM 0 H LEU A 50 22.939 12.645 -29.061 1.00 12.10 H new ATOM 0 HA LEU A 50 22.072 11.416 -31.568 1.00 14.20 H new ATOM 0 HB2 LEU A 50 21.266 10.988 -29.083 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.274 12.404 -29.368 1.00 11.15 H new ATOM 0 HG LEU A 50 19.021 10.354 -29.763 1.00 12.15 H new ATOM 0 HD11 LEU A 50 18.185 10.853 -32.025 1.00 70.43 H new ATOM 0 HD12 LEU A 50 18.442 12.335 -31.073 1.00 70.43 H new ATOM 0 HD13 LEU A 50 19.617 11.867 -32.325 1.00 70.43 H new ATOM 0 HD21 LEU A 50 19.593 8.863 -31.641 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.080 9.798 -31.925 1.00 5.33 H new ATOM 0 HD23 LEU A 50 20.875 8.892 -30.407 1.00 5.33 H new ATOM 905 N CYS A 63 14.424 15.741 -38.077 1.00 12.42 N ATOM 906 CA CYS A 63 14.750 14.716 -37.092 1.00 3.52 C ATOM 907 C CYS A 63 14.612 13.320 -37.693 1.00 2.45 C ATOM 908 O CYS A 63 13.564 12.683 -37.578 1.00 4.13 O ATOM 909 CB CYS A 63 13.842 14.848 -35.868 1.00 25.53 C ATOM 910 SG CYS A 63 14.102 16.375 -34.910 1.00 22.10 S ATOM 0 HA CYS A 63 15.786 14.859 -36.785 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.803 14.809 -36.194 1.00 25.53 H new ATOM 0 HB3 CYS A 63 14.004 13.990 -35.215 1.00 25.53 H new ATOM 0 HG CYS A 63 13.489 16.280 -33.767 1.00 22.10 H new ATOM 915 N HIS A 64 15.677 12.850 -38.335 1.00 63.44 N ATOM 916 CA HIS A 64 15.676 11.530 -38.954 1.00 3.42 C ATOM 917 C HIS A 64 16.831 10.683 -38.431 1.00 30.22 C ATOM 918 O HIS A 64 17.999 10.987 -38.678 1.00 61.33 O ATOM 919 CB HIS A 64 15.768 11.655 -40.475 1.00 52.43 C ATOM 920 CG HIS A 64 16.836 12.600 -40.933 1.00 13.30 C ATOM 921 ND1 HIS A 64 16.692 13.970 -40.903 1.00 62.35 N ATOM 922 CD2 HIS A 64 18.071 12.364 -41.435 1.00 65.44 C ATOM 923 CE1 HIS A 64 17.792 14.536 -41.367 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.644 13.583 -41.697 1.00 23.12 N ATOM 0 H HIS A 64 16.552 13.364 -38.440 1.00 63.44 H new ATOM 0 HA HIS A 64 14.740 11.036 -38.694 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.958 10.670 -40.902 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.806 11.990 -40.863 1.00 52.43 H new ATOM 0 HD1 HIS A 64 15.866 14.469 -40.574 1.00 62.35 H new ATOM 0 HD2 HIS A 64 18.521 11.396 -41.599 1.00 65.44 H new ATOM 0 HE1 HIS A 64 17.965 15.598 -41.460 1.00 13.15 H new ATOM 932 N VAL A 65 16.500 9.619 -37.705 1.00 61.11 N ATOM 933 CA VAL A 65 17.511 8.729 -37.147 1.00 32.34 C ATOM 934 C VAL A 65 17.217 7.275 -37.500 1.00 22.50 C ATOM 935 O VAL A 65 16.076 6.914 -37.788 1.00 34.33 O ATOM 936 CB VAL A 65 17.595 8.867 -35.615 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.850 8.187 -35.087 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.562 10.333 -35.210 1.00 23.01 C ATOM 0 H VAL A 65 15.539 9.353 -37.490 1.00 61.11 H new ATOM 0 HA VAL A 65 18.466 9.020 -37.584 1.00 32.34 H new ATOM 0 HB VAL A 65 16.729 8.373 -35.174 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.893 8.294 -34.003 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.827 7.129 -35.346 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.730 8.651 -35.533 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.622 10.412 -34.125 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.408 10.854 -35.659 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.632 10.785 -35.556 1.00 23.01 H new ATOM 948 N ILE A 66 18.255 6.445 -37.476 1.00 21.12 N ATOM 949 CA ILE A 66 18.108 5.030 -37.791 1.00 32.41 C ATOM 950 C ILE A 66 17.802 4.216 -36.538 1.00 54.10 C ATOM 951 O ILE A 66 18.485 4.341 -35.521 1.00 14.31 O ATOM 952 CB ILE A 66 19.376 4.468 -38.459 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.681 5.230 -39.748 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.212 2.982 -38.741 1.00 64.43 C ATOM 955 CD1 ILE A 66 21.140 5.602 -39.901 1.00 62.21 C ATOM 0 H ILE A 66 19.206 6.729 -37.242 1.00 21.12 H new ATOM 0 HA ILE A 66 17.273 4.947 -38.487 1.00 32.41 H new ATOM 0 HB ILE A 66 20.216 4.598 -37.776 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.379 4.621 -40.600 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.078 6.138 -39.775 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.117 2.599 -39.213 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.039 2.451 -37.805 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.363 2.830 -39.407 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.282 6.140 -40.838 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.443 6.237 -39.068 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.748 4.697 -39.907 1.00 62.21 H new ATOM 967 N LEU A 67 16.772 3.381 -36.620 1.00 62.31 N ATOM 968 CA LEU A 67 16.375 2.543 -35.492 1.00 64.04 C ATOM 969 C LEU A 67 16.332 1.073 -35.895 1.00 12.11 C ATOM 970 O LEU A 67 16.329 0.746 -37.082 1.00 61.41 O ATOM 971 CB LEU A 67 15.009 2.980 -34.963 1.00 53.02 C ATOM 972 CG LEU A 67 14.627 2.458 -33.577 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.658 2.886 -32.543 1.00 12.14 C ATOM 974 CD2 LEU A 67 13.241 2.948 -33.184 1.00 10.33 C ATOM 0 H LEU A 67 16.197 3.266 -37.454 1.00 62.31 H new ATOM 0 HA LEU A 67 17.117 2.662 -34.703 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.983 4.069 -34.939 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.247 2.658 -35.673 1.00 53.02 H new ATOM 0 HG LEU A 67 14.608 1.369 -33.613 1.00 54.25 H new ATOM 0 HD11 LEU A 67 15.370 2.506 -31.563 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.634 2.485 -32.815 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.709 3.974 -32.509 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.987 2.566 -32.195 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.232 4.038 -33.166 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.510 2.591 -33.909 1.00 10.33 H new ATOM 986 N GLU A 68 16.295 0.192 -34.900 1.00 71.02 N ATOM 987 CA GLU A 68 16.249 -1.243 -35.152 1.00 2.24 C ATOM 988 C GLU A 68 15.347 -1.558 -36.343 1.00 45.14 C ATOM 989 O GLU A 68 14.266 -0.989 -36.480 1.00 70.41 O ATOM 990 CB GLU A 68 15.752 -1.986 -33.911 1.00 2.12 C ATOM 991 CG GLU A 68 16.826 -2.813 -33.225 1.00 61.11 C ATOM 992 CD GLU A 68 17.572 -3.714 -34.189 1.00 60.41 C ATOM 993 OE1 GLU A 68 18.657 -3.310 -34.660 1.00 23.25 O ATOM 994 OE2 GLU A 68 17.073 -4.823 -34.473 1.00 54.52 O1- ATOM 0 H GLU A 68 16.296 0.447 -33.912 1.00 71.02 H new ATOM 0 HA GLU A 68 17.260 -1.577 -35.386 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.353 -1.262 -33.200 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.928 -2.640 -34.196 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.535 -2.146 -32.734 1.00 61.11 H new ATOM 0 HG3 GLU A 68 16.368 -3.421 -32.445 1.00 61.11 H new ATOM 1001 N GLU A 69 15.803 -2.467 -37.199 1.00 22.44 N ATOM 1002 CA GLU A 69 15.038 -2.857 -38.377 1.00 73.04 C ATOM 1003 C GLU A 69 13.694 -3.459 -37.979 1.00 43.43 C ATOM 1004 O GLU A 69 12.629 -2.975 -38.364 1.00 23.14 O ATOM 1005 CB GLU A 69 15.831 -3.859 -39.218 1.00 71.35 C ATOM 1006 CG GLU A 69 16.163 -3.357 -40.613 1.00 42.54 C ATOM 1007 CD GLU A 69 17.454 -3.942 -41.152 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.413 -4.584 -42.222 1.00 54.15 O ATOM 1009 OE2 GLU A 69 18.505 -3.759 -40.503 1.00 42.34 O1- ATOM 0 H GLU A 69 16.698 -2.947 -37.099 1.00 22.44 H new ATOM 0 HA GLU A 69 14.852 -1.962 -38.971 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.758 -4.103 -38.699 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.259 -4.783 -39.300 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.345 -3.607 -41.289 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.241 -2.270 -40.595 1.00 42.54 H new ATOM 1016 N PRO A 70 13.742 -4.542 -37.190 1.00 54.22 N ATOM 1017 CA PRO A 70 12.538 -5.236 -36.721 1.00 20.10 C ATOM 1018 C PRO A 70 11.753 -4.411 -35.708 1.00 1.22 C ATOM 1019 O PRO A 70 10.538 -4.242 -35.837 1.00 33.25 O ATOM 1020 CB PRO A 70 13.090 -6.503 -36.065 1.00 54.11 C ATOM 1021 CG PRO A 70 14.478 -6.145 -35.658 1.00 53.54 C ATOM 1022 CD PRO A 70 14.977 -5.174 -36.692 1.00 23.21 C ATOM 0 HA PRO A 70 11.838 -5.432 -37.533 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.489 -6.798 -35.205 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.085 -7.343 -36.760 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.490 -5.697 -34.664 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.113 -7.030 -35.616 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.658 -4.441 -36.259 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.520 -5.680 -37.490 1.00 23.21 H new ATOM 1030 N LEU A 71 12.450 -3.900 -34.699 1.00 73.21 N ATOM 1031 CA LEU A 71 11.817 -3.091 -33.664 1.00 71.13 C ATOM 1032 C LEU A 71 11.000 -1.960 -34.278 1.00 14.24 C ATOM 1033 O LEU A 71 9.824 -1.785 -33.959 1.00 22.31 O ATOM 1034 CB LEU A 71 12.874 -2.517 -32.719 1.00 11.33 C ATOM 1035 CG LEU A 71 12.438 -2.310 -31.269 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.385 -3.639 -30.530 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.376 -1.342 -30.562 1.00 52.41 C ATOM 0 H LEU A 71 13.454 -4.032 -34.576 1.00 73.21 H new ATOM 0 HA LEU A 71 11.143 -3.734 -33.098 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.738 -3.182 -32.726 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.206 -1.558 -33.118 1.00 11.33 H new ATOM 0 HG LEU A 71 11.437 -1.879 -31.271 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.073 -3.470 -29.499 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.672 -4.300 -31.022 1.00 70.15 H new ATOM 0 HD13 LEU A 71 13.373 -4.100 -30.539 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.050 -1.207 -29.531 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.389 -1.744 -30.572 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.362 -0.381 -31.076 1.00 52.41 H new ATOM 1049 N TYR A 72 11.630 -1.195 -35.162 1.00 23.13 N ATOM 1050 CA TYR A 72 10.963 -0.080 -35.823 1.00 72.33 C ATOM 1051 C TYR A 72 9.808 -0.573 -36.692 1.00 64.33 C ATOM 1052 O TYR A 72 8.733 0.026 -36.712 1.00 54.01 O ATOM 1053 CB TYR A 72 11.959 0.706 -36.677 1.00 62.53 C ATOM 1054 CG TYR A 72 11.418 2.026 -37.178 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.632 2.087 -38.322 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.694 3.211 -36.508 1.00 33.42 C ATOM 1057 CE1 TYR A 72 10.136 3.291 -38.785 1.00 74.45 C ATOM 1058 CE2 TYR A 72 11.201 4.419 -36.963 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.423 4.455 -38.101 1.00 14.41 C ATOM 1060 OH TYR A 72 9.932 5.655 -38.558 1.00 23.11 O ATOM 0 H TYR A 72 12.603 -1.327 -35.438 1.00 23.13 H new ATOM 0 HA TYR A 72 10.560 0.576 -35.052 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.860 0.891 -36.092 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.253 0.096 -37.531 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.405 1.178 -38.859 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.304 3.188 -35.617 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.527 3.321 -39.677 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.424 5.331 -36.430 1.00 12.54 H new ATOM 0 HH TYR A 72 10.624 6.344 -38.477 1.00 23.11 H new ATOM 1070 N ARG A 73 10.041 -1.668 -37.407 1.00 65.44 N ATOM 1071 CA ARG A 73 9.023 -2.242 -38.278 1.00 14.13 C ATOM 1072 C ARG A 73 7.716 -2.454 -37.521 1.00 11.43 C ATOM 1073 O ARG A 73 6.688 -1.867 -37.859 1.00 2.21 O ATOM 1074 CB ARG A 73 9.510 -3.571 -38.860 1.00 24.52 C ATOM 1075 CG ARG A 73 8.755 -4.004 -40.106 1.00 20.20 C ATOM 1076 CD ARG A 73 8.725 -5.518 -40.242 1.00 62.31 C ATOM 1077 NE ARG A 73 7.623 -6.114 -39.492 1.00 14.20 N ATOM 1078 CZ ARG A 73 6.345 -5.972 -39.827 1.00 65.04 C ATOM 1079 NH1 ARG A 73 6.011 -5.261 -40.894 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 5.399 -6.545 -39.095 1.00 13.35 N ATOM 0 H ARG A 73 10.926 -2.176 -37.400 1.00 65.44 H new ATOM 0 HA ARG A 73 8.841 -1.541 -39.093 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.570 -3.486 -39.099 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.415 -4.347 -38.100 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.735 -3.621 -40.066 1.00 20.20 H new ATOM 0 HG3 ARG A 73 9.225 -3.568 -40.987 1.00 20.20 H new ATOM 0 HD2 ARG A 73 8.633 -5.785 -41.295 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.669 -5.932 -39.889 1.00 62.31 H new ATOM 0 HE ARG A 73 7.846 -6.669 -38.666 1.00 14.20 H new ATOM 0 HH11 ARG A 73 6.736 -4.821 -41.461 1.00 12.32 H new ATOM 0 HH12 ARG A 73 5.029 -5.154 -41.149 1.00 12.32 H new ATOM 0 HH21 ARG A 73 5.652 -7.095 -38.274 1.00 13.35 H new ATOM 0 HH22 ARG A 73 4.418 -6.436 -39.353 1.00 13.35 H new ATOM 1094 N LYS A 74 7.763 -3.297 -36.495 1.00 33.12 N ATOM 1095 CA LYS A 74 6.584 -3.586 -35.688 1.00 31.02 C ATOM 1096 C LYS A 74 6.102 -2.336 -34.959 1.00 63.21 C ATOM 1097 O LYS A 74 4.919 -2.206 -34.643 1.00 75.00 O ATOM 1098 CB LYS A 74 6.891 -4.692 -34.676 1.00 65.31 C ATOM 1099 CG LYS A 74 8.099 -4.398 -33.802 1.00 40.52 C ATOM 1100 CD LYS A 74 7.937 -4.988 -32.411 1.00 34.44 C ATOM 1101 CE LYS A 74 7.180 -4.045 -31.489 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.521 -4.774 -30.370 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.606 -3.792 -36.203 1.00 33.12 H new ATOM 0 HA LYS A 74 5.792 -3.923 -36.357 1.00 31.02 H new ATOM 0 HB2 LYS A 74 6.020 -4.842 -34.039 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.059 -5.627 -35.211 1.00 65.31 H new ATOM 0 HG2 LYS A 74 8.995 -4.806 -34.269 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.241 -3.320 -33.727 1.00 40.52 H new ATOM 0 HD2 LYS A 74 7.406 -5.938 -32.477 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.919 -5.201 -31.989 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.868 -3.303 -31.084 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.428 -3.503 -32.062 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 6.016 -4.096 -29.764 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.846 -5.464 -30.756 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 7.241 -5.271 -29.808 1.00 30.01 H new ATOM 1116 N LEU A 75 7.025 -1.418 -34.697 1.00 52.50 N ATOM 1117 CA LEU A 75 6.694 -0.175 -34.007 1.00 65.55 C ATOM 1118 C LEU A 75 5.700 0.649 -34.817 1.00 75.21 C ATOM 1119 O LEU A 75 4.618 0.984 -34.336 1.00 64.44 O ATOM 1120 CB LEU A 75 7.962 0.642 -33.751 1.00 21.23 C ATOM 1121 CG LEU A 75 8.384 0.786 -32.288 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.364 1.609 -31.517 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.560 -0.584 -31.647 1.00 51.32 C ATOM 0 H LEU A 75 8.008 -1.510 -34.951 1.00 52.50 H new ATOM 0 HA LEU A 75 6.234 -0.430 -33.052 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.783 0.183 -34.302 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.818 1.639 -34.166 1.00 21.23 H new ATOM 0 HG LEU A 75 9.341 1.307 -32.255 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.681 1.701 -30.478 1.00 62.14 H new ATOM 0 HD12 LEU A 75 7.286 2.601 -31.962 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.393 1.116 -31.558 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.860 -0.463 -30.606 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.618 -1.130 -31.692 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.328 -1.141 -32.184 1.00 51.32 H new ATOM 1135 N GLY A 76 6.072 0.973 -36.052 1.00 21.42 N ATOM 1136 CA GLY A 76 5.201 1.754 -36.910 1.00 10.52 C ATOM 1137 C GLY A 76 5.969 2.552 -37.944 1.00 14.51 C ATOM 1138 O GLY A 76 7.046 3.075 -37.659 1.00 71.33 O ATOM 0 H GLY A 76 6.962 0.708 -36.474 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.502 1.088 -37.416 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.608 2.434 -36.298 1.00 10.52 H new ATOM 1142 N GLU A 77 5.415 2.644 -39.150 1.00 31.22 N ATOM 1143 CA GLU A 77 6.058 3.382 -40.231 1.00 3.31 C ATOM 1144 C GLU A 77 5.324 4.691 -40.507 1.00 55.51 C ATOM 1145 O GLU A 77 4.162 4.870 -40.142 1.00 65.31 O ATOM 1146 CB GLU A 77 6.103 2.532 -41.502 1.00 60.22 C ATOM 1147 CG GLU A 77 7.328 1.638 -41.594 1.00 64.43 C ATOM 1148 CD GLU A 77 7.973 1.672 -42.966 1.00 52.41 C ATOM 1149 OE1 GLU A 77 8.279 0.587 -43.503 1.00 31.24 O ATOM 1150 OE2 GLU A 77 8.174 2.782 -43.500 1.00 22.41 O1- ATOM 0 H GLU A 77 4.524 2.217 -39.402 1.00 31.22 H new ATOM 0 HA GLU A 77 7.077 3.615 -39.922 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.207 1.912 -41.546 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.078 3.190 -42.370 1.00 60.22 H new ATOM 0 HG2 GLU A 77 8.057 1.949 -40.846 1.00 64.43 H new ATOM 0 HG3 GLU A 77 7.044 0.613 -41.355 1.00 64.43 H new ATOM 1157 N PRO A 78 6.019 5.631 -41.166 1.00 13.34 N ATOM 1158 CA PRO A 78 5.454 6.940 -41.506 1.00 21.23 C ATOM 1159 C PRO A 78 4.374 6.845 -42.579 1.00 62.01 C ATOM 1160 O PRO A 78 4.160 5.784 -43.165 1.00 42.25 O ATOM 1161 CB PRO A 78 6.661 7.721 -42.030 1.00 40.44 C ATOM 1162 CG PRO A 78 7.602 6.678 -42.527 1.00 2.43 C ATOM 1163 CD PRO A 78 7.408 5.486 -41.632 1.00 41.44 C ATOM 0 HA PRO A 78 4.964 7.407 -40.651 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.373 8.406 -42.827 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.116 8.321 -41.242 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.391 6.425 -43.566 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.632 7.032 -42.488 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.555 4.550 -42.172 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.113 5.489 -40.801 1.00 41.44 H new ATOM 1171 N SER A 79 3.697 7.961 -42.831 1.00 1.54 N ATOM 1172 CA SER A 79 2.638 8.002 -43.832 1.00 22.12 C ATOM 1173 C SER A 79 3.167 7.587 -45.201 1.00 55.34 C ATOM 1174 O SER A 79 4.376 7.489 -45.408 1.00 42.34 O ATOM 1175 CB SER A 79 2.035 9.406 -43.909 1.00 75.41 C ATOM 1176 OG SER A 79 1.947 9.995 -42.624 1.00 71.31 O ATOM 0 H SER A 79 3.863 8.848 -42.356 1.00 1.54 H new ATOM 0 HA SER A 79 1.862 7.297 -43.534 1.00 22.12 H new ATOM 0 HB2 SER A 79 2.646 10.033 -44.558 1.00 75.41 H new ATOM 0 HB3 SER A 79 1.043 9.355 -44.358 1.00 75.41 H new ATOM 0 HG SER A 79 1.560 10.892 -42.701 1.00 71.31 H new ATOM 1182 N ASP A 80 2.252 7.344 -46.133 1.00 2.42 N ATOM 1183 CA ASP A 80 2.624 6.940 -47.484 1.00 64.33 C ATOM 1184 C ASP A 80 3.552 7.970 -48.122 1.00 41.21 C ATOM 1185 O ASP A 80 4.504 7.616 -48.818 1.00 61.31 O ATOM 1186 CB ASP A 80 1.375 6.756 -48.348 1.00 42.53 C ATOM 1187 CG ASP A 80 0.324 5.901 -47.668 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.861 6.297 -47.679 1.00 61.52 O ATOM 1189 OD2 ASP A 80 0.684 4.835 -47.127 1.00 62.51 O1- ATOM 0 H ASP A 80 1.247 7.420 -45.978 1.00 2.42 H new ATOM 0 HA ASP A 80 3.154 5.990 -47.420 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.950 7.732 -48.581 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.656 6.296 -49.296 1.00 42.53 H new ATOM 1194 N LYS A 81 3.266 9.244 -47.882 1.00 63.24 N ATOM 1195 CA LYS A 81 4.074 10.327 -48.433 1.00 42.30 C ATOM 1196 C LYS A 81 5.550 10.122 -48.110 1.00 52.43 C ATOM 1197 O LYS A 81 6.375 9.961 -49.010 1.00 13.12 O ATOM 1198 CB LYS A 81 3.603 11.674 -47.881 1.00 24.44 C ATOM 1199 CG LYS A 81 2.335 12.191 -48.540 1.00 13.30 C ATOM 1200 CD LYS A 81 2.219 13.701 -48.418 1.00 11.42 C ATOM 1201 CE LYS A 81 1.105 14.248 -49.299 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.444 14.148 -50.746 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.481 9.553 -47.309 1.00 63.24 H new ATOM 0 HA LYS A 81 3.953 10.323 -49.516 1.00 42.30 H new ATOM 0 HB2 LYS A 81 3.432 11.578 -46.809 1.00 24.44 H new ATOM 0 HB3 LYS A 81 4.397 12.409 -48.013 1.00 24.44 H new ATOM 0 HG2 LYS A 81 2.330 11.909 -49.593 1.00 13.30 H new ATOM 0 HG3 LYS A 81 1.467 11.720 -48.080 1.00 13.30 H new ATOM 0 HD2 LYS A 81 2.028 13.969 -47.379 1.00 11.42 H new ATOM 0 HD3 LYS A 81 3.166 14.163 -48.698 1.00 11.42 H new ATOM 0 HE2 LYS A 81 0.184 13.699 -49.103 1.00 51.52 H new ATOM 0 HE3 LYS A 81 0.916 15.290 -49.041 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.796 14.747 -51.297 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 2.422 14.467 -50.896 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 1.350 13.160 -51.057 1.00 62.13 H new ATOM 1216 N GLU A 82 5.877 10.129 -46.822 1.00 13.40 N ATOM 1217 CA GLU A 82 7.254 9.944 -46.382 1.00 22.15 C ATOM 1218 C GLU A 82 7.738 8.530 -46.692 1.00 24.23 C ATOM 1219 O GLU A 82 8.907 8.319 -47.016 1.00 2.21 O ATOM 1220 CB GLU A 82 7.376 10.219 -44.882 1.00 53.12 C ATOM 1221 CG GLU A 82 7.201 11.684 -44.516 1.00 71.53 C ATOM 1222 CD GLU A 82 8.074 12.601 -45.350 1.00 12.30 C ATOM 1223 OE1 GLU A 82 7.553 13.620 -45.851 1.00 14.14 O ATOM 1224 OE2 GLU A 82 9.277 12.302 -45.502 1.00 32.01 O1- ATOM 0 H GLU A 82 5.207 10.261 -46.065 1.00 13.40 H new ATOM 0 HA GLU A 82 7.880 10.652 -46.925 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.629 9.629 -44.351 1.00 53.12 H new ATOM 0 HB3 GLU A 82 8.353 9.881 -44.537 1.00 53.12 H new ATOM 0 HG2 GLU A 82 6.156 11.965 -44.647 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.439 11.822 -43.461 1.00 71.53 H new ATOM 1231 N TYR A 83 6.832 7.565 -46.587 1.00 32.52 N ATOM 1232 CA TYR A 83 7.166 6.170 -46.852 1.00 21.41 C ATOM 1233 C TYR A 83 7.740 6.006 -48.256 1.00 74.33 C ATOM 1234 O TYR A 83 8.825 5.451 -48.433 1.00 30.25 O ATOM 1235 CB TYR A 83 5.926 5.288 -46.689 1.00 60.15 C ATOM 1236 CG TYR A 83 6.227 3.807 -46.749 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.617 3.204 -47.938 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.117 3.010 -45.616 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.892 1.852 -47.997 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.392 1.657 -45.666 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.778 1.083 -46.859 1.00 11.20 C ATOM 1242 OH TYR A 83 7.050 -0.266 -46.913 1.00 41.13 O ATOM 0 H TYR A 83 5.860 7.723 -46.320 1.00 32.52 H new ATOM 0 HA TYR A 83 7.922 5.859 -46.131 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.451 5.516 -45.735 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.208 5.537 -47.470 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.707 3.803 -48.832 1.00 33.43 H new ATOM 0 HD2 TYR A 83 5.811 3.456 -44.681 1.00 72.12 H new ATOM 0 HE1 TYR A 83 7.195 1.400 -48.930 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.305 1.052 -44.776 1.00 71.42 H new ATOM 0 HH TYR A 83 6.923 -0.661 -46.025 1.00 41.13 H new ATOM 1252 N ASP A 84 7.005 6.491 -49.250 1.00 24.14 N ATOM 1253 CA ASP A 84 7.441 6.400 -50.639 1.00 41.30 C ATOM 1254 C ASP A 84 8.697 7.235 -50.870 1.00 24.23 C ATOM 1255 O ASP A 84 9.621 6.807 -51.564 1.00 11.41 O ATOM 1256 CB ASP A 84 6.326 6.863 -51.577 1.00 33.25 C ATOM 1257 CG ASP A 84 6.305 6.087 -52.879 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.326 5.445 -53.205 1.00 71.12 O ATOM 1259 OD2 ASP A 84 5.267 6.119 -53.572 1.00 45.14 O1- ATOM 0 H ASP A 84 6.104 6.951 -49.120 1.00 24.14 H new ATOM 0 HA ASP A 84 7.675 5.357 -50.853 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.364 6.752 -51.076 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.453 7.924 -51.792 1.00 33.25 H new ATOM 1264 N LEU A 85 8.723 8.427 -50.286 1.00 20.31 N ATOM 1265 CA LEU A 85 9.866 9.324 -50.429 1.00 5.33 C ATOM 1266 C LEU A 85 11.153 8.643 -49.973 1.00 63.15 C ATOM 1267 O LEU A 85 12.213 8.840 -50.567 1.00 64.22 O ATOM 1268 CB LEU A 85 9.639 10.603 -49.622 1.00 32.10 C ATOM 1269 CG LEU A 85 9.223 11.837 -50.423 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.837 11.645 -51.019 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.260 13.081 -49.547 1.00 5.43 C ATOM 0 H LEU A 85 7.967 8.796 -49.709 1.00 20.31 H new ATOM 0 HA LEU A 85 9.966 9.580 -51.484 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.872 10.405 -48.873 1.00 32.10 H new ATOM 0 HB3 LEU A 85 10.557 10.837 -49.083 1.00 32.10 H new ATOM 0 HG LEU A 85 9.933 11.971 -51.240 1.00 40.23 H new ATOM 0 HD11 LEU A 85 7.558 12.534 -51.585 1.00 13.40 H new ATOM 0 HD12 LEU A 85 7.842 10.779 -51.681 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.116 11.484 -50.218 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.961 13.949 -50.135 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.574 12.956 -48.709 1.00 5.43 H new ATOM 0 HD23 LEU A 85 10.271 13.230 -49.169 1.00 5.43 H new ATOM 1283 N ILE A 86 11.050 7.842 -48.919 1.00 45.10 N ATOM 1284 CA ILE A 86 12.206 7.130 -48.386 1.00 32.42 C ATOM 1285 C ILE A 86 12.590 5.958 -49.283 1.00 52.13 C ATOM 1286 O ILE A 86 13.748 5.818 -49.677 1.00 14.31 O ATOM 1287 CB ILE A 86 11.937 6.606 -46.963 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.594 7.766 -46.025 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.143 5.837 -46.445 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.628 7.388 -44.925 1.00 63.41 C ATOM 0 H ILE A 86 10.179 7.669 -48.417 1.00 45.10 H new ATOM 0 HA ILE A 86 13.029 7.844 -48.352 1.00 32.42 H new ATOM 0 HB ILE A 86 11.085 5.927 -46.997 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.513 8.144 -45.577 1.00 10.12 H new ATOM 0 HG13 ILE A 86 11.166 8.581 -46.609 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.937 5.473 -45.438 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.345 4.991 -47.102 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.012 6.495 -46.423 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.431 8.258 -44.299 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.694 7.038 -45.365 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.062 6.595 -44.316 1.00 63.41 H new ATOM 1302 N ASP A 87 11.611 5.119 -49.603 1.00 50.21 N ATOM 1303 CA ASP A 87 11.845 3.960 -50.456 1.00 61.54 C ATOM 1304 C ASP A 87 12.426 4.385 -51.802 1.00 73.01 C ATOM 1305 O ASP A 87 13.075 3.593 -52.485 1.00 74.03 O ATOM 1306 CB ASP A 87 10.544 3.186 -50.670 1.00 35.13 C ATOM 1307 CG ASP A 87 10.773 1.840 -51.330 1.00 41.55 C ATOM 1308 OD1 ASP A 87 10.159 1.586 -52.387 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.566 1.042 -50.790 1.00 51.34 O1- ATOM 0 H ASP A 87 10.647 5.220 -49.284 1.00 50.21 H new ATOM 0 HA ASP A 87 12.566 3.312 -49.957 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.051 3.037 -49.709 1.00 35.13 H new ATOM 0 HB3 ASP A 87 9.869 3.779 -51.286 1.00 35.13 H new ATOM 1314 N GLN A 88 12.187 5.638 -52.175 1.00 32.35 N ATOM 1315 CA GLN A 88 12.686 6.166 -53.440 1.00 71.22 C ATOM 1316 C GLN A 88 14.126 6.645 -53.299 1.00 44.01 C ATOM 1317 O GLN A 88 14.913 6.563 -54.243 1.00 30.30 O ATOM 1318 CB GLN A 88 11.799 7.315 -53.922 1.00 71.55 C ATOM 1319 CG GLN A 88 12.549 8.370 -54.718 1.00 72.24 C ATOM 1320 CD GLN A 88 11.658 9.101 -55.703 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.584 10.331 -55.696 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.975 8.348 -56.557 1.00 31.43 N ATOM 0 H GLN A 88 11.652 6.306 -51.620 1.00 32.35 H new ATOM 0 HA GLN A 88 12.660 5.363 -54.176 1.00 71.22 H new ATOM 0 HB2 GLN A 88 10.996 6.909 -54.538 1.00 71.55 H new ATOM 0 HB3 GLN A 88 11.331 7.788 -53.059 1.00 71.55 H new ATOM 0 HG2 GLN A 88 12.993 9.091 -54.031 1.00 72.24 H new ATOM 0 HG3 GLN A 88 13.370 7.897 -55.258 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.066 7.333 -56.528 1.00 31.43 H new ATOM 0 HE22 GLN A 88 10.359 8.785 -57.243 1.00 31.43 H new ATOM 1331 N ALA A 89 14.467 7.144 -52.116 1.00 43.05 N ATOM 1332 CA ALA A 89 15.813 7.635 -51.851 1.00 33.15 C ATOM 1333 C ALA A 89 16.842 6.519 -51.996 1.00 24.14 C ATOM 1334 O ALA A 89 16.494 5.337 -52.006 1.00 71.13 O ATOM 1335 CB ALA A 89 15.889 8.248 -50.461 1.00 12.20 C ATOM 0 H ALA A 89 13.828 7.219 -51.324 1.00 43.05 H new ATOM 0 HA ALA A 89 16.043 8.405 -52.587 1.00 33.15 H new ATOM 0 HB1 ALA A 89 16.901 8.610 -50.278 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.188 9.080 -50.391 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.633 7.494 -49.716 1.00 12.20 H new ATOM 1341 N PHE A 90 18.110 6.899 -52.107 1.00 74.20 N ATOM 1342 CA PHE A 90 19.190 5.929 -52.252 1.00 75.52 C ATOM 1343 C PHE A 90 19.544 5.304 -50.907 1.00 71.45 C ATOM 1344 O PHE A 90 20.020 5.984 -49.999 1.00 12.24 O ATOM 1345 CB PHE A 90 20.426 6.598 -52.857 1.00 64.23 C ATOM 1346 CG PHE A 90 21.444 5.621 -53.374 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.348 5.115 -54.659 1.00 30.42 C ATOM 1348 CD2 PHE A 90 22.496 5.208 -52.571 1.00 65.35 C ATOM 1349 CE1 PHE A 90 22.283 4.216 -55.138 1.00 45.43 C ATOM 1350 CE2 PHE A 90 23.434 4.310 -53.046 1.00 31.34 C ATOM 1351 CZ PHE A 90 23.327 3.813 -54.329 1.00 1.02 C ATOM 0 H PHE A 90 18.416 7.872 -52.099 1.00 74.20 H new ATOM 0 HA PHE A 90 18.848 5.139 -52.921 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.114 7.251 -53.672 1.00 64.23 H new ATOM 0 HB3 PHE A 90 20.892 7.231 -52.102 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.533 5.426 -55.295 1.00 30.42 H new ATOM 0 HD2 PHE A 90 22.584 5.591 -51.565 1.00 65.35 H new ATOM 0 HE1 PHE A 90 22.197 3.830 -56.143 1.00 45.43 H new ATOM 0 HE2 PHE A 90 24.251 3.997 -52.413 1.00 31.34 H new ATOM 0 HZ PHE A 90 24.058 3.110 -54.700 1.00 1.02 H new ATOM 1361 N GLY A 91 19.305 4.001 -50.785 1.00 12.51 N ATOM 1362 CA GLY A 91 19.603 3.304 -49.547 1.00 14.41 C ATOM 1363 C GLY A 91 18.980 3.976 -48.340 1.00 73.13 C ATOM 1364 O GLY A 91 19.612 4.089 -47.290 1.00 4.35 O ATOM 0 H GLY A 91 18.910 3.416 -51.522 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.241 2.278 -49.615 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.684 3.253 -49.413 1.00 14.41 H new ATOM 1368 N ALA A 92 17.739 4.424 -48.490 1.00 4.24 N ATOM 1369 CA ALA A 92 17.030 5.088 -47.402 1.00 70.22 C ATOM 1370 C ALA A 92 15.952 4.182 -46.816 1.00 24.25 C ATOM 1371 O ALA A 92 15.004 3.801 -47.504 1.00 13.15 O ATOM 1372 CB ALA A 92 16.417 6.392 -47.890 1.00 0.13 C ATOM 0 H ALA A 92 17.203 4.340 -49.354 1.00 4.24 H new ATOM 0 HA ALA A 92 17.750 5.310 -46.614 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.891 6.877 -47.068 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.205 7.050 -48.255 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.715 6.184 -48.697 1.00 0.13 H new ATOM 1378 N THR A 93 16.103 3.840 -45.540 1.00 45.11 N ATOM 1379 CA THR A 93 15.145 2.976 -44.862 1.00 43.04 C ATOM 1380 C THR A 93 14.171 3.793 -44.018 1.00 51.13 C ATOM 1381 O THR A 93 14.551 4.787 -43.402 1.00 12.44 O ATOM 1382 CB THR A 93 15.854 1.950 -43.958 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.213 1.786 -44.377 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.139 0.607 -44.000 1.00 75.11 C ATOM 0 H THR A 93 16.880 4.148 -44.956 1.00 45.11 H new ATOM 0 HA THR A 93 14.594 2.445 -45.638 1.00 43.04 H new ATOM 0 HB THR A 93 15.832 2.323 -42.934 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.658 1.134 -43.797 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.658 -0.102 -43.354 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.113 0.730 -43.654 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.134 0.229 -45.022 1.00 75.11 H new ATOM 1392 N GLY A 94 12.913 3.364 -43.993 1.00 64.34 N ATOM 1393 CA GLY A 94 11.905 4.066 -43.221 1.00 73.52 C ATOM 1394 C GLY A 94 12.289 4.211 -41.762 1.00 11.42 C ATOM 1395 O GLY A 94 11.826 5.124 -41.077 1.00 75.13 O ATOM 0 H GLY A 94 12.574 2.543 -44.494 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.745 5.055 -43.651 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.958 3.530 -43.293 1.00 73.52 H new ATOM 1399 N THR A 95 13.139 3.307 -41.282 1.00 3.02 N ATOM 1400 CA THR A 95 13.583 3.337 -39.895 1.00 45.00 C ATOM 1401 C THR A 95 14.579 4.467 -39.659 1.00 1.41 C ATOM 1402 O THR A 95 15.040 4.678 -38.538 1.00 53.40 O ATOM 1403 CB THR A 95 14.233 2.002 -39.485 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.530 1.886 -40.078 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.367 0.825 -39.910 1.00 23.25 C ATOM 0 H THR A 95 13.533 2.545 -41.835 1.00 3.02 H new ATOM 0 HA THR A 95 12.696 3.505 -39.284 1.00 45.00 H new ATOM 0 HB THR A 95 14.329 1.988 -38.399 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.937 1.035 -39.811 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.847 -0.107 -39.610 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.390 0.901 -39.432 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.243 0.837 -40.993 1.00 23.25 H new ATOM 1413 N SER A 96 14.906 5.192 -40.725 1.00 4.44 N ATOM 1414 CA SER A 96 15.850 6.300 -40.634 1.00 60.11 C ATOM 1415 C SER A 96 15.129 7.602 -40.301 1.00 71.41 C ATOM 1416 O SER A 96 15.759 8.603 -39.956 1.00 10.54 O ATOM 1417 CB SER A 96 16.618 6.451 -41.950 1.00 33.34 C ATOM 1418 OG SER A 96 17.720 7.328 -41.797 1.00 54.01 O ATOM 0 H SER A 96 14.532 5.032 -41.660 1.00 4.44 H new ATOM 0 HA SER A 96 16.555 6.080 -39.832 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.969 5.475 -42.284 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.950 6.831 -42.723 1.00 33.34 H new ATOM 0 HG SER A 96 17.461 8.082 -41.227 1.00 54.01 H new ATOM 1424 N ARG A 97 13.804 7.581 -40.405 1.00 14.14 N ATOM 1425 CA ARG A 97 12.997 8.761 -40.117 1.00 44.44 C ATOM 1426 C ARG A 97 12.513 8.746 -38.670 1.00 41.24 C ATOM 1427 O ARG A 97 12.389 7.686 -38.056 1.00 64.24 O ATOM 1428 CB ARG A 97 11.799 8.830 -41.065 1.00 70.20 C ATOM 1429 CG ARG A 97 11.270 10.238 -41.277 1.00 33.41 C ATOM 1430 CD ARG A 97 10.717 10.421 -42.682 1.00 21.13 C ATOM 1431 NE ARG A 97 11.779 10.581 -43.672 1.00 44.32 N ATOM 1432 CZ ARG A 97 12.534 11.669 -43.770 1.00 45.23 C ATOM 1433 NH1 ARG A 97 12.345 12.688 -42.942 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 13.481 11.741 -44.696 1.00 33.05 N ATOM 0 H ARG A 97 13.267 6.761 -40.686 1.00 14.14 H new ATOM 0 HA ARG A 97 13.620 9.643 -40.266 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.085 8.410 -42.029 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.998 8.206 -40.670 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.488 10.448 -40.547 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.070 10.958 -41.103 1.00 33.41 H new ATOM 0 HD2 ARG A 97 10.103 9.560 -42.945 1.00 21.13 H new ATOM 0 HD3 ARG A 97 10.066 11.295 -42.704 1.00 21.13 H new ATOM 0 HE ARG A 97 11.950 9.815 -44.324 1.00 44.32 H new ATOM 0 HH11 ARG A 97 11.618 12.637 -42.228 1.00 54.10 H new ATOM 0 HH12 ARG A 97 12.926 13.523 -43.019 1.00 54.10 H new ATOM 0 HH21 ARG A 97 13.630 10.960 -45.335 1.00 33.05 H new ATOM 0 HH22 ARG A 97 14.060 12.578 -44.770 1.00 33.05 H new ATOM 1448 N LEU A 98 12.242 9.930 -38.131 1.00 2.12 N ATOM 1449 CA LEU A 98 11.772 10.054 -36.755 1.00 73.45 C ATOM 1450 C LEU A 98 10.822 11.240 -36.610 1.00 21.34 C ATOM 1451 O LEU A 98 10.716 12.078 -37.504 1.00 13.34 O ATOM 1452 CB LEU A 98 12.958 10.217 -35.803 1.00 23.22 C ATOM 1453 CG LEU A 98 12.785 9.615 -34.408 1.00 64.21 C ATOM 1454 CD1 LEU A 98 12.562 8.114 -34.498 1.00 54.22 C ATOM 1455 CD2 LEU A 98 13.997 9.924 -33.541 1.00 44.21 C ATOM 0 H LEU A 98 12.339 10.817 -38.625 1.00 2.12 H new ATOM 0 HA LEU A 98 11.230 9.144 -36.498 1.00 73.45 H new ATOM 0 HB2 LEU A 98 13.835 9.765 -36.266 1.00 23.22 H new ATOM 0 HB3 LEU A 98 13.168 11.281 -35.694 1.00 23.22 H new ATOM 0 HG LEU A 98 11.907 10.065 -33.945 1.00 64.21 H new ATOM 0 HD11 LEU A 98 12.441 7.703 -33.496 1.00 54.22 H new ATOM 0 HD12 LEU A 98 11.664 7.914 -35.083 1.00 54.22 H new ATOM 0 HD13 LEU A 98 13.421 7.647 -34.980 1.00 54.22 H new ATOM 0 HD21 LEU A 98 13.857 9.488 -32.552 1.00 44.21 H new ATOM 0 HD22 LEU A 98 14.890 9.501 -34.001 1.00 44.21 H new ATOM 0 HD23 LEU A 98 14.113 11.004 -33.449 1.00 44.21 H new ATOM 1467 N GLY A 99 10.134 11.303 -35.473 1.00 65.55 N ATOM 1468 CA GLY A 99 9.203 12.390 -35.230 1.00 71.01 C ATOM 1469 C GLY A 99 9.568 13.202 -34.003 1.00 52.33 C ATOM 1470 O GLY A 99 8.731 13.916 -33.450 1.00 62.04 O ATOM 0 H GLY A 99 10.205 10.622 -34.717 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.178 13.045 -36.101 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.199 11.984 -35.108 1.00 71.01 H new ATOM 1474 N CYS A 100 10.821 13.092 -33.574 1.00 23.20 N ATOM 1475 CA CYS A 100 11.295 13.820 -32.403 1.00 42.23 C ATOM 1476 C CYS A 100 10.501 13.427 -31.160 1.00 61.43 C ATOM 1477 O CYS A 100 10.391 14.204 -30.212 1.00 22.54 O ATOM 1478 CB CYS A 100 11.188 15.327 -32.635 1.00 12.14 C ATOM 1479 SG CYS A 100 12.429 16.309 -31.733 1.00 33.11 S ATOM 0 H CYS A 100 11.526 12.506 -34.020 1.00 23.20 H new ATOM 0 HA CYS A 100 12.341 13.558 -32.242 1.00 42.23 H new ATOM 0 HB2 CYS A 100 11.287 15.527 -33.702 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.193 15.659 -32.340 1.00 12.14 H new ATOM 0 HG CYS A 100 12.258 17.571 -31.995 1.00 33.11 H new ATOM 1484 N GLN A 101 9.949 12.218 -31.175 1.00 51.23 N ATOM 1485 CA GLN A 101 9.165 11.723 -30.049 1.00 32.50 C ATOM 1486 C GLN A 101 9.319 10.213 -29.900 1.00 24.44 C ATOM 1487 O GLN A 101 9.284 9.475 -30.886 1.00 62.34 O ATOM 1488 CB GLN A 101 7.689 12.082 -30.232 1.00 54.33 C ATOM 1489 CG GLN A 101 7.335 13.474 -29.737 1.00 51.15 C ATOM 1490 CD GLN A 101 5.846 13.653 -29.513 1.00 64.22 C ATOM 1491 OE1 GLN A 101 5.094 12.679 -29.451 1.00 14.41 O ATOM 1492 NE2 GLN A 101 5.411 14.902 -29.391 1.00 64.44 N ATOM 0 H GLN A 101 10.030 11.564 -31.953 1.00 51.23 H new ATOM 0 HA GLN A 101 9.538 12.198 -29.142 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.434 12.006 -31.289 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.078 11.351 -29.703 1.00 54.33 H new ATOM 0 HG2 GLN A 101 7.865 13.670 -28.805 1.00 51.15 H new ATOM 0 HG3 GLN A 101 7.681 14.212 -30.461 1.00 51.15 H new ATOM 0 HE21 GLN A 101 6.069 15.679 -29.449 1.00 64.44 H new ATOM 0 HE22 GLN A 101 4.419 15.084 -29.239 1.00 64.44 H new ATOM 1501 N LEU A 102 9.490 9.761 -28.663 1.00 65.25 N ATOM 1502 CA LEU A 102 9.651 8.337 -28.385 1.00 63.32 C ATOM 1503 C LEU A 102 9.759 8.085 -26.885 1.00 43.03 C ATOM 1504 O LEU A 102 10.549 8.728 -26.193 1.00 43.45 O ATOM 1505 CB LEU A 102 10.891 7.795 -29.096 1.00 54.24 C ATOM 1506 CG LEU A 102 10.714 6.468 -29.836 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.672 6.605 -30.936 1.00 65.13 C ATOM 1508 CD2 LEU A 102 12.042 5.998 -30.413 1.00 5.14 C ATOM 0 H LEU A 102 9.521 10.358 -27.837 1.00 65.25 H new ATOM 0 HA LEU A 102 8.770 7.817 -28.760 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.232 8.544 -29.811 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.684 7.674 -28.358 1.00 54.24 H new ATOM 0 HG LEU A 102 10.365 5.721 -29.124 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.560 5.651 -31.452 1.00 65.13 H new ATOM 0 HD12 LEU A 102 8.717 6.896 -30.498 1.00 65.13 H new ATOM 0 HD13 LEU A 102 9.992 7.366 -31.647 1.00 65.13 H new ATOM 0 HD21 LEU A 102 11.897 5.053 -30.936 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.420 6.745 -31.111 1.00 5.14 H new ATOM 0 HD23 LEU A 102 12.761 5.860 -29.605 1.00 5.14 H new ATOM 1520 N ARG A 103 8.963 7.144 -26.389 1.00 52.25 N ATOM 1521 CA ARG A 103 8.969 6.806 -24.971 1.00 12.23 C ATOM 1522 C ARG A 103 9.714 5.497 -24.728 1.00 22.20 C ATOM 1523 O ARG A 103 10.058 4.782 -25.669 1.00 3.34 O ATOM 1524 CB ARG A 103 7.538 6.697 -24.443 1.00 33.05 C ATOM 1525 CG ARG A 103 6.908 8.038 -24.108 1.00 62.04 C ATOM 1526 CD ARG A 103 6.949 8.315 -22.613 1.00 70.21 C ATOM 1527 NE ARG A 103 8.133 9.078 -22.229 1.00 53.42 N ATOM 1528 CZ ARG A 103 8.256 9.711 -21.067 1.00 21.50 C ATOM 1529 NH1 ARG A 103 7.270 9.672 -20.181 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 9.365 10.383 -20.790 1.00 43.51 N ATOM 0 H ARG A 103 8.305 6.602 -26.949 1.00 52.25 H new ATOM 0 HA ARG A 103 9.485 7.603 -24.436 1.00 12.23 H new ATOM 0 HB2 ARG A 103 6.923 6.192 -25.188 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.536 6.071 -23.551 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.433 8.831 -24.641 1.00 62.04 H new ATOM 0 HG3 ARG A 103 5.874 8.052 -24.454 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.054 8.864 -22.322 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.934 7.371 -22.069 1.00 70.21 H new ATOM 0 HE ARG A 103 8.909 9.128 -22.889 1.00 53.42 H new ATOM 0 HH11 ARG A 103 6.416 9.156 -20.391 1.00 52.01 H new ATOM 0 HH12 ARG A 103 7.366 10.158 -19.290 1.00 52.01 H new ATOM 0 HH21 ARG A 103 10.125 10.415 -21.469 1.00 43.51 H new ATOM 0 HH22 ARG A 103 9.458 10.868 -19.898 1.00 43.51 H new ATOM 1544 N VAL A 104 9.959 5.187 -23.459 1.00 21.01 N ATOM 1545 CA VAL A 104 10.662 3.964 -23.092 1.00 23.15 C ATOM 1546 C VAL A 104 9.686 2.887 -22.631 1.00 51.50 C ATOM 1547 O VAL A 104 8.948 3.076 -21.664 1.00 20.41 O ATOM 1548 CB VAL A 104 11.690 4.221 -21.974 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.500 2.964 -21.695 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.603 5.381 -22.347 1.00 72.24 C ATOM 0 H VAL A 104 9.681 5.767 -22.667 1.00 21.01 H new ATOM 0 HA VAL A 104 11.185 3.620 -23.984 1.00 23.15 H new ATOM 0 HB VAL A 104 11.153 4.488 -21.064 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.221 3.164 -20.903 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.831 2.162 -21.383 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.029 2.664 -22.600 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.323 5.549 -21.546 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.134 5.144 -23.269 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.006 6.281 -22.493 1.00 72.24 H new ATOM 1560 N ASP A 105 9.689 1.757 -23.328 1.00 71.13 N ATOM 1561 CA ASP A 105 8.805 0.647 -22.991 1.00 40.04 C ATOM 1562 C ASP A 105 9.551 -0.682 -23.059 1.00 72.04 C ATOM 1563 O ASP A 105 10.707 -0.737 -23.477 1.00 10.30 O ATOM 1564 CB ASP A 105 7.602 0.620 -23.934 1.00 44.20 C ATOM 1565 CG ASP A 105 6.788 1.898 -23.871 1.00 65.14 C ATOM 1566 OD1 ASP A 105 5.692 1.874 -23.272 1.00 23.23 O ATOM 1567 OD2 ASP A 105 7.247 2.921 -24.421 1.00 33.31 O1- ATOM 0 H ASP A 105 10.294 1.585 -24.131 1.00 71.13 H new ATOM 0 HA ASP A 105 8.452 0.793 -21.970 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.948 0.463 -24.956 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.964 -0.227 -23.680 1.00 44.20 H new ATOM 1572 N LYS A 106 8.881 -1.752 -22.644 1.00 24.41 N ATOM 1573 CA LYS A 106 9.479 -3.081 -22.657 1.00 72.51 C ATOM 1574 C LYS A 106 9.889 -3.480 -24.071 1.00 64.01 C ATOM 1575 O LYS A 106 10.887 -4.175 -24.267 1.00 34.22 O ATOM 1576 CB LYS A 106 8.498 -4.111 -22.091 1.00 13.33 C ATOM 1577 CG LYS A 106 9.042 -5.528 -22.077 1.00 33.41 C ATOM 1578 CD LYS A 106 7.934 -6.550 -21.885 1.00 30.24 C ATOM 1579 CE LYS A 106 7.245 -6.880 -23.201 1.00 13.42 C ATOM 1580 NZ LYS A 106 8.055 -7.814 -24.031 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.923 -1.724 -22.294 1.00 24.41 H new ATOM 0 HA LYS A 106 10.371 -3.055 -22.032 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.230 -3.824 -21.074 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.581 -4.089 -22.680 1.00 13.33 H new ATOM 0 HG2 LYS A 106 9.564 -5.727 -23.013 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.774 -5.629 -21.276 1.00 33.41 H new ATOM 0 HD2 LYS A 106 8.348 -7.460 -21.452 1.00 30.24 H new ATOM 0 HD3 LYS A 106 7.201 -6.165 -21.176 1.00 30.24 H new ATOM 0 HE2 LYS A 106 6.271 -7.325 -22.999 1.00 13.42 H new ATOM 0 HE3 LYS A 106 7.066 -5.960 -23.758 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 7.867 -7.635 -25.038 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 9.065 -7.665 -23.835 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 7.799 -8.795 -23.800 1.00 24.12 H new ATOM 1594 N SER A 107 9.114 -3.035 -25.055 1.00 1.32 N ATOM 1595 CA SER A 107 9.395 -3.347 -26.451 1.00 32.25 C ATOM 1596 C SER A 107 10.713 -2.717 -26.894 1.00 64.51 C ATOM 1597 O SER A 107 11.308 -3.129 -27.890 1.00 35.32 O ATOM 1598 CB SER A 107 8.256 -2.854 -27.345 1.00 25.21 C ATOM 1599 OG SER A 107 7.088 -3.636 -27.161 1.00 60.12 O ATOM 0 H SER A 107 8.286 -2.457 -24.911 1.00 1.32 H new ATOM 0 HA SER A 107 9.479 -4.430 -26.546 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.038 -1.810 -27.119 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.565 -2.896 -28.389 1.00 25.21 H new ATOM 0 HG SER A 107 6.374 -3.300 -27.742 1.00 60.12 H new ATOM 1605 N PHE A 108 11.163 -1.714 -26.145 1.00 54.12 N ATOM 1606 CA PHE A 108 12.409 -1.026 -26.460 1.00 31.34 C ATOM 1607 C PHE A 108 13.598 -1.729 -25.812 1.00 52.43 C ATOM 1608 O PHE A 108 14.727 -1.244 -25.870 1.00 20.31 O ATOM 1609 CB PHE A 108 12.345 0.429 -25.990 1.00 33.33 C ATOM 1610 CG PHE A 108 11.768 1.364 -27.014 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.346 2.603 -27.244 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.648 1.006 -27.745 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.818 3.467 -28.185 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.115 1.865 -28.689 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.700 3.097 -28.907 1.00 71.21 C ATOM 0 H PHE A 108 10.683 -1.361 -25.317 1.00 54.12 H new ATOM 0 HA PHE A 108 12.543 -1.047 -27.542 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.745 0.483 -25.081 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.349 0.763 -25.729 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.220 2.897 -26.681 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.185 0.045 -27.576 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.278 4.429 -28.355 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.243 1.573 -29.255 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.284 3.771 -29.641 1.00 71.21 H new ATOM 1625 N GLU A 109 13.334 -2.876 -25.192 1.00 45.42 N ATOM 1626 CA GLU A 109 14.382 -3.645 -24.531 1.00 14.13 C ATOM 1627 C GLU A 109 15.469 -4.048 -25.524 1.00 53.04 C ATOM 1628 O GLU A 109 15.191 -4.676 -26.545 1.00 0.14 O ATOM 1629 CB GLU A 109 13.789 -4.893 -23.873 1.00 15.44 C ATOM 1630 CG GLU A 109 14.756 -5.606 -22.943 1.00 21.13 C ATOM 1631 CD GLU A 109 14.151 -6.844 -22.310 1.00 40.23 C ATOM 1632 OE1 GLU A 109 14.521 -7.164 -21.161 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.307 -7.493 -22.963 1.00 62.22 O1- ATOM 0 H GLU A 109 12.405 -3.292 -25.134 1.00 45.42 H new ATOM 0 HA GLU A 109 14.831 -3.016 -23.763 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.899 -4.610 -23.311 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.468 -5.586 -24.651 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.650 -5.887 -23.500 1.00 21.13 H new ATOM 0 HG3 GLU A 109 15.073 -4.919 -22.158 1.00 21.13 H new ATOM 1640 N ASN A 110 16.708 -3.681 -25.216 1.00 40.22 N ATOM 1641 CA ASN A 110 17.838 -4.002 -26.080 1.00 12.52 C ATOM 1642 C ASN A 110 17.697 -3.316 -27.436 1.00 14.11 C ATOM 1643 O ASN A 110 18.316 -3.727 -28.418 1.00 14.41 O ATOM 1644 CB ASN A 110 17.947 -5.516 -26.270 1.00 53.45 C ATOM 1645 CG ASN A 110 19.083 -6.120 -25.467 1.00 14.25 C ATOM 1646 OD1 ASN A 110 20.140 -5.508 -25.310 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.869 -7.325 -24.955 1.00 13.04 N ATOM 0 H ASN A 110 16.955 -3.161 -24.374 1.00 40.22 H new ATOM 0 HA ASN A 110 18.746 -3.637 -25.601 1.00 12.52 H new ATOM 0 HB2 ASN A 110 17.008 -5.985 -25.975 1.00 53.45 H new ATOM 0 HB3 ASN A 110 18.095 -5.737 -27.327 1.00 53.45 H new ATOM 0 HD21 ASN A 110 19.596 -7.782 -24.405 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.977 -7.794 -25.111 1.00 13.04 H new ATOM 1654 N ALA A 111 16.881 -2.269 -27.482 1.00 11.53 N ATOM 1655 CA ALA A 111 16.661 -1.524 -28.715 1.00 33.33 C ATOM 1656 C ALA A 111 17.963 -0.921 -29.231 1.00 12.12 C ATOM 1657 O ALA A 111 18.855 -0.583 -28.452 1.00 32.25 O ATOM 1658 CB ALA A 111 15.623 -0.434 -28.496 1.00 12.32 C ATOM 0 H ALA A 111 16.361 -1.917 -26.678 1.00 11.53 H new ATOM 0 HA ALA A 111 16.288 -2.218 -29.468 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.469 0.114 -29.426 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.682 -0.885 -28.181 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.973 0.252 -27.724 1.00 12.32 H new ATOM 1664 N VAL A 112 18.068 -0.789 -30.550 1.00 73.01 N ATOM 1665 CA VAL A 112 19.260 -0.226 -31.170 1.00 70.21 C ATOM 1666 C VAL A 112 18.954 1.110 -31.839 1.00 23.10 C ATOM 1667 O VAL A 112 18.125 1.187 -32.746 1.00 15.11 O ATOM 1668 CB VAL A 112 19.855 -1.187 -32.217 1.00 32.45 C ATOM 1669 CG1 VAL A 112 21.246 -0.731 -32.631 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.890 -2.608 -31.676 1.00 42.04 C ATOM 0 H VAL A 112 17.340 -1.065 -31.210 1.00 73.01 H new ATOM 0 HA VAL A 112 19.988 -0.072 -30.373 1.00 70.21 H new ATOM 0 HB VAL A 112 19.217 -1.174 -33.101 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.650 -1.422 -33.371 1.00 55.14 H new ATOM 0 HG12 VAL A 112 21.188 0.269 -33.062 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.898 -0.713 -31.758 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.313 -3.273 -32.428 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.505 -2.640 -30.777 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.877 -2.931 -31.435 1.00 42.04 H new ATOM 1680 N PHE A 113 19.629 2.160 -31.385 1.00 22.12 N ATOM 1681 CA PHE A 113 19.429 3.495 -31.938 1.00 61.43 C ATOM 1682 C PHE A 113 20.657 3.946 -32.724 1.00 43.11 C ATOM 1683 O PHE A 113 21.610 4.481 -32.158 1.00 11.30 O ATOM 1684 CB PHE A 113 19.130 4.494 -30.819 1.00 14.33 C ATOM 1685 CG PHE A 113 17.807 4.263 -30.146 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.606 3.146 -29.352 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.765 5.162 -30.309 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.390 2.930 -28.730 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.547 4.951 -29.691 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.359 3.833 -28.901 1.00 54.32 C ATOM 0 H PHE A 113 20.319 2.113 -30.636 1.00 22.12 H new ATOM 0 HA PHE A 113 18.578 3.457 -32.618 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.923 4.439 -30.073 1.00 14.33 H new ATOM 0 HB3 PHE A 113 19.148 5.503 -31.230 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.408 2.436 -29.217 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.906 6.037 -30.926 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.247 2.056 -28.111 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.743 5.659 -29.825 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.408 3.666 -28.418 1.00 54.32 H new ATOM 1700 N THR A 114 20.626 3.728 -34.035 1.00 30.22 N ATOM 1701 CA THR A 114 21.735 4.110 -34.901 1.00 45.33 C ATOM 1702 C THR A 114 21.580 5.545 -35.391 1.00 52.03 C ATOM 1703 O THR A 114 20.547 5.912 -35.951 1.00 43.22 O ATOM 1704 CB THR A 114 21.847 3.172 -36.118 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.196 1.852 -35.689 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.888 3.684 -37.101 1.00 73.44 C ATOM 0 H THR A 114 19.844 3.288 -34.521 1.00 30.22 H new ATOM 0 HA THR A 114 22.644 4.029 -34.305 1.00 45.33 H new ATOM 0 HB THR A 114 20.879 3.146 -36.619 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.263 1.262 -36.468 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.950 3.006 -37.952 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.603 4.677 -37.448 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.859 3.737 -36.608 1.00 73.44 H new ATOM 1714 N VAL A 115 22.613 6.353 -35.178 1.00 21.22 N ATOM 1715 CA VAL A 115 22.593 7.748 -35.600 1.00 72.13 C ATOM 1716 C VAL A 115 23.280 7.924 -36.950 1.00 32.00 C ATOM 1717 O VAL A 115 24.373 7.409 -37.190 1.00 71.13 O ATOM 1718 CB VAL A 115 23.279 8.659 -34.565 1.00 34.51 C ATOM 1719 CG1 VAL A 115 23.234 10.111 -35.016 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.630 8.495 -33.199 1.00 0.35 C ATOM 0 H VAL A 115 23.475 6.065 -34.715 1.00 21.22 H new ATOM 0 HA VAL A 115 21.545 8.036 -35.688 1.00 72.13 H new ATOM 0 HB VAL A 115 24.325 8.363 -34.483 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.724 10.739 -34.271 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.750 10.211 -35.971 1.00 32.02 H new ATOM 0 HG13 VAL A 115 22.196 10.425 -35.129 1.00 32.02 H new ATOM 0 HG21 VAL A 115 23.127 9.146 -32.480 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.575 8.763 -33.263 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.722 7.458 -32.875 1.00 0.35 H new ATOM 1730 N PRO A 116 22.626 8.668 -37.855 1.00 23.44 N ATOM 1731 CA PRO A 116 23.156 8.930 -39.196 1.00 12.20 C ATOM 1732 C PRO A 116 24.370 9.853 -39.170 1.00 62.14 C ATOM 1733 O PRO A 116 25.345 9.631 -39.887 1.00 15.32 O ATOM 1734 CB PRO A 116 21.985 9.608 -39.913 1.00 2.12 C ATOM 1735 CG PRO A 116 21.178 10.225 -38.823 1.00 24.01 C ATOM 1736 CD PRO A 116 21.320 9.311 -37.636 1.00 65.44 C ATOM 0 HA PRO A 116 23.503 8.018 -39.683 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.336 10.360 -40.620 1.00 2.12 H new ATOM 0 HB3 PRO A 116 21.397 8.887 -40.481 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.538 11.227 -38.590 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.133 10.323 -39.118 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.297 9.865 -36.697 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.514 8.579 -37.594 1.00 65.44 H new ATOM 1744 N ARG A 117 24.304 10.887 -38.338 1.00 4.04 N ATOM 1745 CA ARG A 117 25.398 11.843 -38.219 1.00 23.33 C ATOM 1746 C ARG A 117 26.497 11.301 -37.309 1.00 72.14 C ATOM 1747 O ARG A 117 26.304 10.306 -36.611 1.00 53.20 O ATOM 1748 CB ARG A 117 24.882 13.176 -37.675 1.00 24.40 C ATOM 1749 CG ARG A 117 24.603 14.209 -38.757 1.00 3.30 C ATOM 1750 CD ARG A 117 23.487 15.157 -38.349 1.00 34.14 C ATOM 1751 NE ARG A 117 22.229 14.452 -38.113 1.00 31.52 N ATOM 1752 CZ ARG A 117 21.446 14.002 -39.086 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.789 14.182 -40.354 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 20.317 13.370 -38.792 1.00 55.12 N ATOM 0 H ARG A 117 23.504 11.084 -37.736 1.00 4.04 H new ATOM 0 HA ARG A 117 25.818 12.002 -39.212 1.00 23.33 H new ATOM 0 HB2 ARG A 117 23.967 12.998 -37.110 1.00 24.40 H new ATOM 0 HB3 ARG A 117 25.614 13.582 -36.977 1.00 24.40 H new ATOM 0 HG2 ARG A 117 25.510 14.779 -38.960 1.00 3.30 H new ATOM 0 HG3 ARG A 117 24.331 13.703 -39.683 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.778 15.692 -37.445 1.00 34.14 H new ATOM 0 HD3 ARG A 117 23.343 15.904 -39.129 1.00 34.14 H new ATOM 0 HE ARG A 117 21.937 14.297 -37.148 1.00 31.52 H new ATOM 0 HH11 ARG A 117 22.656 14.667 -40.584 1.00 32.32 H new ATOM 0 HH12 ARG A 117 21.186 13.835 -41.100 1.00 32.32 H new ATOM 0 HH21 ARG A 117 20.050 13.230 -37.818 1.00 55.12 H new ATOM 0 HH22 ARG A 117 19.716 13.025 -39.540 1.00 55.12 H new