USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 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 Single : A 17 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.38) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.122 (180deg=-0.707) USER MOD Single : A 24 THR OG1 : rot -82:sc= 1.99 USER MOD Single : A 25 MET CE :methyl -158:sc= -0.07 (180deg=-0.451) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0178 K(o=-0.018,f=-0.63) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 94:sc= 0.32 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 175:sc= -1.06 USER MOD Single : A 44 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.38 K(o=-2.4,f=-9.5!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.888 USER MOD Single : A 64 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.3) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.924) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00548 K(o=-0.0055,f=-0.84) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.000685 USER MOD Single : A 95 THR OG1 : rot -153:sc= -0.143 USER MOD Single : A 96 SER OG : rot -40:sc= 0.0235 USER MOD Single : A 100 CYS SG : rot -43:sc= 0.0135 USER MOD Single : A 101 GLN : amide:sc= -0.059 X(o=-0.059,f=-0.059) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0727 USER MOD Single : A 110 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0161 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 0.019 5.255 -18.072 1.00 62.40 N ATOM 154 CA ARG A 13 1.100 6.089 -18.583 1.00 13.43 C ATOM 155 C ARG A 13 2.310 5.240 -18.958 1.00 51.13 C ATOM 156 O ARG A 13 2.220 4.016 -19.046 1.00 65.25 O ATOM 157 CB ARG A 13 1.499 7.136 -17.543 1.00 71.33 C ATOM 158 CG ARG A 13 2.268 6.562 -16.365 1.00 64.41 C ATOM 159 CD ARG A 13 2.323 7.543 -15.204 1.00 64.44 C ATOM 160 NE ARG A 13 2.946 8.808 -15.586 1.00 53.53 N ATOM 161 CZ ARG A 13 2.777 9.942 -14.916 1.00 72.45 C ATOM 162 NH1 ARG A 13 2.009 9.970 -13.836 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 3.377 11.053 -15.326 1.00 74.21 N ATOM 0 HA ARG A 13 0.743 6.596 -19.479 1.00 13.43 H new ATOM 0 HB2 ARG A 13 2.108 7.901 -18.025 1.00 71.33 H new ATOM 0 HB3 ARG A 13 0.600 7.630 -17.173 1.00 71.33 H new ATOM 0 HG2 ARG A 13 1.796 5.636 -16.038 1.00 64.41 H new ATOM 0 HG3 ARG A 13 3.281 6.310 -16.678 1.00 64.41 H new ATOM 0 HD2 ARG A 13 1.313 7.732 -14.840 1.00 64.44 H new ATOM 0 HD3 ARG A 13 2.881 7.098 -14.380 1.00 64.44 H new ATOM 0 HE ARG A 13 3.543 8.821 -16.413 1.00 53.53 H new ATOM 0 HH11 ARG A 13 1.546 9.119 -13.517 1.00 1.02 H new ATOM 0 HH12 ARG A 13 1.881 10.843 -13.324 1.00 1.02 H new ATOM 0 HH21 ARG A 13 3.969 11.036 -16.157 1.00 74.21 H new ATOM 0 HH22 ARG A 13 3.246 11.923 -14.810 1.00 74.21 H new ATOM 177 N ILE A 14 3.443 5.899 -19.179 1.00 31.23 N ATOM 178 CA ILE A 14 4.672 5.205 -19.543 1.00 21.45 C ATOM 179 C ILE A 14 4.976 4.076 -18.565 1.00 33.43 C ATOM 180 O ILE A 14 4.915 4.243 -17.347 1.00 4.22 O ATOM 181 CB ILE A 14 5.872 6.170 -19.586 1.00 63.41 C ATOM 182 CG1 ILE A 14 5.600 7.314 -20.566 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.139 5.422 -19.973 1.00 71.10 C ATOM 184 CD1 ILE A 14 5.897 8.683 -19.994 1.00 72.40 C ATOM 0 H ILE A 14 3.535 6.913 -19.112 1.00 31.23 H new ATOM 0 HA ILE A 14 4.516 4.788 -20.538 1.00 21.45 H new ATOM 0 HB ILE A 14 6.014 6.595 -18.592 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.202 7.165 -21.462 1.00 40.21 H new ATOM 0 HG13 ILE A 14 4.555 7.277 -20.874 1.00 40.21 H new ATOM 0 HG21 ILE A 14 7.978 6.117 -19.999 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.338 4.640 -19.240 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.010 4.972 -20.957 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.681 9.445 -20.743 1.00 72.40 H new ATOM 0 HD12 ILE A 14 5.276 8.853 -19.115 1.00 72.40 H new ATOM 0 HD13 ILE A 14 6.948 8.739 -19.712 1.00 72.40 H new ATOM 196 N PRO A 15 5.314 2.897 -19.109 1.00 52.44 N ATOM 197 CA PRO A 15 5.638 1.717 -18.301 1.00 71.33 C ATOM 198 C PRO A 15 6.963 1.867 -17.561 1.00 44.54 C ATOM 199 O PRO A 15 7.544 2.951 -17.525 1.00 21.35 O ATOM 200 CB PRO A 15 5.728 0.593 -19.337 1.00 32.33 C ATOM 201 CG PRO A 15 6.076 1.281 -20.613 1.00 35.51 C ATOM 202 CD PRO A 15 5.408 2.627 -20.554 1.00 52.11 C ATOM 0 HA PRO A 15 4.896 1.540 -17.522 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.487 -0.139 -19.062 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.783 0.056 -19.422 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.156 1.386 -20.718 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.726 0.709 -21.473 1.00 35.51 H new ATOM 0 HD2 PRO A 15 5.993 3.389 -21.068 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.425 2.609 -21.024 1.00 52.11 H new ATOM 210 N GLU A 16 7.433 0.771 -16.973 1.00 24.10 N ATOM 211 CA GLU A 16 8.690 0.783 -16.233 1.00 63.23 C ATOM 212 C GLU A 16 9.846 1.211 -17.131 1.00 23.52 C ATOM 213 O GLU A 16 9.771 1.097 -18.354 1.00 3.13 O ATOM 214 CB GLU A 16 8.972 -0.601 -15.644 1.00 12.45 C ATOM 215 CG GLU A 16 9.297 -1.653 -16.690 1.00 54.23 C ATOM 216 CD GLU A 16 9.741 -2.968 -16.077 1.00 62.22 C ATOM 217 OE1 GLU A 16 8.948 -3.933 -16.108 1.00 73.31 O ATOM 218 OE2 GLU A 16 10.879 -3.032 -15.568 1.00 11.13 O1- ATOM 0 H GLU A 16 6.964 -0.134 -16.994 1.00 24.10 H new ATOM 0 HA GLU A 16 8.598 1.504 -15.421 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.805 -0.526 -14.945 1.00 12.45 H new ATOM 0 HB3 GLU A 16 8.104 -0.927 -15.071 1.00 12.45 H new ATOM 0 HG2 GLU A 16 8.419 -1.825 -17.312 1.00 54.23 H new ATOM 0 HG3 GLU A 16 10.083 -1.278 -17.345 1.00 54.23 H new ATOM 225 N GLN A 17 10.916 1.704 -16.515 1.00 15.32 N ATOM 226 CA GLN A 17 12.088 2.151 -17.258 1.00 43.30 C ATOM 227 C GLN A 17 12.873 0.961 -17.802 1.00 14.04 C ATOM 228 O GLN A 17 12.975 -0.078 -17.148 1.00 32.12 O ATOM 229 CB GLN A 17 12.987 3.008 -16.366 1.00 2.54 C ATOM 230 CG GLN A 17 13.475 2.286 -15.121 1.00 15.05 C ATOM 231 CD GLN A 17 14.934 2.564 -14.819 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.798 2.425 -15.686 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.219 2.960 -13.584 1.00 30.14 N ATOM 0 H GLN A 17 10.995 1.804 -15.503 1.00 15.32 H new ATOM 0 HA GLN A 17 11.747 2.753 -18.100 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.849 3.340 -16.945 1.00 2.54 H new ATOM 0 HB3 GLN A 17 12.441 3.903 -16.067 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.867 2.589 -14.268 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.332 1.213 -15.249 1.00 15.05 H new ATOM 0 HE21 GLN A 17 14.473 3.062 -12.896 1.00 30.14 H new ATOM 0 HE22 GLN A 17 16.184 3.162 -13.323 1.00 30.14 H new ATOM 242 N ILE A 18 13.428 1.122 -18.998 1.00 24.21 N ATOM 243 CA ILE A 18 14.204 0.061 -19.628 1.00 45.03 C ATOM 244 C ILE A 18 15.571 0.571 -20.071 1.00 53.13 C ATOM 245 O ILE A 18 15.877 1.756 -19.937 1.00 34.14 O ATOM 246 CB ILE A 18 13.469 -0.529 -20.845 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.205 0.561 -21.886 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.166 -1.182 -20.412 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.286 0.667 -22.939 1.00 51.52 C ATOM 0 H ILE A 18 13.355 1.976 -19.550 1.00 24.21 H new ATOM 0 HA ILE A 18 14.335 -0.721 -18.880 1.00 45.03 H new ATOM 0 HB ILE A 18 14.102 -1.292 -21.298 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.251 0.362 -22.375 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.108 1.521 -21.378 1.00 64.44 H new ATOM 0 HG21 ILE A 18 11.658 -1.594 -21.284 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.378 -1.983 -19.703 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.526 -0.438 -19.938 1.00 30.13 H new ATOM 0 HD11 ILE A 18 14.032 1.460 -23.643 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.238 0.897 -22.461 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.368 -0.280 -23.473 1.00 51.52 H new ATOM 261 N ARG A 19 16.390 -0.331 -20.602 1.00 71.23 N ATOM 262 CA ARG A 19 17.725 0.026 -21.066 1.00 75.34 C ATOM 263 C ARG A 19 17.836 -0.136 -22.579 1.00 62.41 C ATOM 264 O ARG A 19 17.360 -1.121 -23.144 1.00 51.13 O ATOM 265 CB ARG A 19 18.779 -0.838 -20.372 1.00 70.32 C ATOM 266 CG ARG A 19 20.201 -0.340 -20.570 1.00 12.13 C ATOM 267 CD ARG A 19 21.105 -0.767 -19.424 1.00 72.31 C ATOM 268 NE ARG A 19 21.286 -2.216 -19.380 1.00 22.42 N ATOM 269 CZ ARG A 19 21.890 -2.851 -18.383 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.370 -2.170 -17.352 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.015 -4.172 -18.414 1.00 23.13 N ATOM 0 H ARG A 19 16.152 -1.316 -20.722 1.00 71.23 H new ATOM 0 HA ARG A 19 17.901 1.072 -20.815 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.561 -0.875 -19.305 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.705 -1.859 -20.748 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.596 -0.727 -21.510 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.199 0.747 -20.648 1.00 12.13 H new ATOM 0 HD2 ARG A 19 22.076 -0.283 -19.529 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.679 -0.426 -18.480 1.00 72.31 H new ATOM 0 HE ARG A 19 20.929 -2.770 -20.158 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.276 -1.155 -17.323 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.834 -2.661 -16.588 1.00 43.31 H new ATOM 0 HH21 ARG A 19 21.647 -4.701 -19.205 1.00 23.13 H new ATOM 0 HH22 ARG A 19 22.479 -4.658 -17.647 1.00 23.13 H new ATOM 285 N ILE A 20 18.465 0.837 -23.229 1.00 35.55 N ATOM 286 CA ILE A 20 18.638 0.803 -24.676 1.00 64.45 C ATOM 287 C ILE A 20 20.115 0.822 -25.053 1.00 32.03 C ATOM 288 O ILE A 20 20.980 1.056 -24.209 1.00 53.21 O ATOM 289 CB ILE A 20 17.930 1.989 -25.357 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.470 3.313 -24.811 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.426 1.898 -25.150 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.259 4.482 -25.748 1.00 21.13 C ATOM 0 H ILE A 20 18.864 1.659 -22.776 1.00 35.55 H new ATOM 0 HA ILE A 20 18.188 -0.126 -25.026 1.00 64.45 H new ATOM 0 HB ILE A 20 18.132 1.949 -26.427 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.986 3.529 -23.859 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.536 3.206 -24.610 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.940 2.743 -25.637 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.055 0.968 -25.581 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.204 1.917 -24.083 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.666 5.387 -25.297 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.767 4.287 -26.693 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.192 4.615 -25.930 1.00 21.13 H new ATOM 304 N PHE A 21 20.398 0.575 -26.328 1.00 73.53 N ATOM 305 CA PHE A 21 21.771 0.564 -26.819 1.00 64.54 C ATOM 306 C PHE A 21 21.960 1.594 -27.929 1.00 32.43 C ATOM 307 O PHE A 21 21.108 1.740 -28.806 1.00 22.23 O ATOM 308 CB PHE A 21 22.142 -0.830 -27.332 1.00 22.21 C ATOM 309 CG PHE A 21 22.898 -1.655 -26.331 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.265 -2.666 -25.625 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.244 -1.420 -26.095 1.00 14.32 C ATOM 312 CE1 PHE A 21 22.959 -3.427 -24.704 1.00 63.25 C ATOM 313 CE2 PHE A 21 24.943 -2.179 -25.175 1.00 44.12 C ATOM 314 CZ PHE A 21 24.300 -3.183 -24.478 1.00 20.14 C ATOM 0 H PHE A 21 19.694 0.380 -27.040 1.00 73.53 H new ATOM 0 HA PHE A 21 22.429 0.825 -25.990 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.232 -1.359 -27.613 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.744 -0.728 -28.235 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.217 -2.861 -25.797 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.752 -0.635 -26.636 1.00 14.32 H new ATOM 0 HE1 PHE A 21 22.454 -4.212 -24.161 1.00 63.25 H new ATOM 0 HE2 PHE A 21 25.992 -1.987 -25.001 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.844 -3.776 -23.758 1.00 20.14 H new ATOM 324 N PHE A 22 23.082 2.305 -27.884 1.00 34.14 N ATOM 325 CA PHE A 22 23.383 3.322 -28.884 1.00 71.33 C ATOM 326 C PHE A 22 24.512 2.863 -29.803 1.00 24.13 C ATOM 327 O PHE A 22 25.684 2.890 -29.426 1.00 42.03 O ATOM 328 CB PHE A 22 23.766 4.638 -28.204 1.00 34.11 C ATOM 329 CG PHE A 22 22.618 5.597 -28.067 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.287 6.128 -26.830 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.870 5.967 -29.173 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.232 7.011 -26.700 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.815 6.850 -29.049 1.00 34.04 C ATOM 334 CZ PHE A 22 20.493 7.372 -27.811 1.00 31.31 C ATOM 0 H PHE A 22 23.798 2.195 -27.165 1.00 34.14 H new ATOM 0 HA PHE A 22 22.489 3.480 -29.487 1.00 71.33 H new ATOM 0 HB2 PHE A 22 24.169 4.423 -27.215 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.562 5.115 -28.776 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.860 5.849 -25.958 1.00 55.45 H new ATOM 0 HD2 PHE A 22 22.115 5.560 -30.143 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.985 7.419 -25.731 1.00 43.04 H new ATOM 0 HE2 PHE A 22 20.242 7.132 -29.920 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.666 8.060 -27.712 1.00 31.31 H new ATOM 344 N LYS A 23 24.151 2.444 -31.010 1.00 30.42 N ATOM 345 CA LYS A 23 25.132 1.981 -31.985 1.00 1.30 C ATOM 346 C LYS A 23 25.624 3.135 -32.851 1.00 12.33 C ATOM 347 O LYS A 23 24.829 3.895 -33.403 1.00 50.24 O ATOM 348 CB LYS A 23 24.525 0.888 -32.869 1.00 51.30 C ATOM 349 CG LYS A 23 25.520 -0.183 -33.280 1.00 73.32 C ATOM 350 CD LYS A 23 25.171 -0.777 -34.635 1.00 53.34 C ATOM 351 CE LYS A 23 23.991 -1.731 -34.538 1.00 11.44 C ATOM 352 NZ LYS A 23 24.272 -2.870 -33.619 1.00 75.34 N1+ ATOM 0 H LYS A 23 23.185 2.415 -31.338 1.00 30.42 H new ATOM 0 HA LYS A 23 25.983 1.570 -31.441 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.698 0.419 -32.336 1.00 51.30 H new ATOM 0 HB3 LYS A 23 24.107 1.347 -33.765 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.522 0.244 -33.316 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.537 -0.973 -32.529 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.936 0.025 -35.335 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.036 -1.306 -35.035 1.00 53.34 H new ATOM 0 HE2 LYS A 23 23.113 -1.189 -34.186 1.00 11.44 H new ATOM 0 HE3 LYS A 23 23.752 -2.115 -35.530 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 23.642 -3.665 -33.849 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.262 -3.169 -33.729 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.108 -2.572 -32.636 1.00 75.34 H new ATOM 366 N THR A 24 26.943 3.259 -32.968 1.00 1.24 N ATOM 367 CA THR A 24 27.543 4.320 -33.769 1.00 41.43 C ATOM 368 C THR A 24 28.380 3.745 -34.905 1.00 55.05 C ATOM 369 O THR A 24 28.448 2.530 -35.085 1.00 23.40 O ATOM 370 CB THR A 24 28.428 5.240 -32.908 1.00 24.11 C ATOM 371 OG1 THR A 24 29.680 4.600 -32.634 1.00 65.51 O ATOM 372 CG2 THR A 24 27.735 5.590 -31.599 1.00 50.11 C ATOM 0 H THR A 24 27.616 2.638 -32.518 1.00 1.24 H new ATOM 0 HA THR A 24 26.723 4.904 -34.187 1.00 41.43 H new ATOM 0 HB THR A 24 28.605 6.161 -33.464 1.00 24.11 H new ATOM 0 HG1 THR A 24 29.575 3.986 -31.877 1.00 65.51 H new ATOM 0 HG21 THR A 24 28.380 6.241 -31.008 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.797 6.104 -31.810 1.00 50.11 H new ATOM 0 HG23 THR A 24 27.531 4.677 -31.040 1.00 50.11 H new ATOM 380 N MET A 25 29.016 4.627 -35.669 1.00 73.10 N ATOM 381 CA MET A 25 29.852 4.206 -36.788 1.00 52.45 C ATOM 382 C MET A 25 31.186 3.656 -36.293 1.00 2.30 C ATOM 383 O MET A 25 31.972 3.113 -37.070 1.00 33.11 O ATOM 384 CB MET A 25 30.092 5.377 -37.742 1.00 30.23 C ATOM 385 CG MET A 25 30.670 6.607 -37.062 1.00 63.33 C ATOM 386 SD MET A 25 31.458 7.738 -38.225 1.00 45.42 S ATOM 387 CE MET A 25 32.926 6.810 -38.660 1.00 4.22 C ATOM 0 H MET A 25 28.969 5.637 -35.534 1.00 73.10 H new ATOM 0 HA MET A 25 29.328 3.413 -37.322 1.00 52.45 H new ATOM 0 HB2 MET A 25 30.770 5.057 -38.533 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.149 5.645 -38.219 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.875 7.132 -36.533 1.00 63.33 H new ATOM 0 HG3 MET A 25 31.399 6.295 -36.314 1.00 63.33 H new ATOM 0 HE1 MET A 25 33.688 7.491 -39.039 1.00 4.22 H new ATOM 0 HE2 MET A 25 33.306 6.295 -37.777 1.00 4.22 H new ATOM 0 HE3 MET A 25 32.679 6.078 -39.429 1.00 4.22 H new ATOM 397 N LYS A 26 31.436 3.801 -34.997 1.00 24.12 N ATOM 398 CA LYS A 26 32.675 3.318 -34.397 1.00 45.31 C ATOM 399 C LYS A 26 32.410 2.123 -33.489 1.00 52.32 C ATOM 400 O LYS A 26 33.196 1.176 -33.449 1.00 42.42 O ATOM 401 CB LYS A 26 33.350 4.438 -33.602 1.00 13.34 C ATOM 402 CG LYS A 26 34.865 4.340 -33.580 1.00 61.12 C ATOM 403 CD LYS A 26 35.485 5.020 -34.790 1.00 13.14 C ATOM 404 CE LYS A 26 35.675 4.045 -35.941 1.00 42.23 C ATOM 405 NZ LYS A 26 36.789 4.458 -36.840 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.797 4.249 -34.341 1.00 24.12 H new ATOM 0 HA LYS A 26 33.339 3.000 -35.200 1.00 45.31 H new ATOM 0 HB2 LYS A 26 33.063 5.399 -34.029 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.978 4.420 -32.578 1.00 13.34 H new ATOM 0 HG2 LYS A 26 35.247 4.799 -32.668 1.00 61.12 H new ATOM 0 HG3 LYS A 26 35.163 3.292 -33.558 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.848 5.844 -35.111 1.00 13.14 H new ATOM 0 HD3 LYS A 26 36.448 5.450 -34.513 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.878 3.050 -35.544 1.00 42.23 H new ATOM 0 HE3 LYS A 26 34.751 3.977 -36.515 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 36.886 3.768 -37.612 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.584 5.396 -37.239 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 37.676 4.499 -36.298 1.00 4.53 H new ATOM 419 N GLN A 27 31.299 2.171 -32.762 1.00 23.51 N ATOM 420 CA GLN A 27 30.931 1.091 -31.855 1.00 54.41 C ATOM 421 C GLN A 27 29.598 1.382 -31.173 1.00 32.12 C ATOM 422 O GLN A 27 29.013 2.449 -31.362 1.00 31.42 O ATOM 423 CB GLN A 27 32.022 0.887 -30.802 1.00 35.15 C ATOM 424 CG GLN A 27 32.361 2.149 -30.025 1.00 31.13 C ATOM 425 CD GLN A 27 33.828 2.224 -29.646 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.502 1.201 -29.522 1.00 14.54 O ATOM 427 NE2 GLN A 27 34.330 3.440 -29.459 1.00 44.23 N ATOM 0 H GLN A 27 30.637 2.947 -32.783 1.00 23.51 H new ATOM 0 HA GLN A 27 30.826 0.178 -32.442 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.701 0.115 -30.103 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.923 0.518 -31.291 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.099 3.021 -30.624 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.753 2.189 -29.121 1.00 31.13 H new ATOM 0 HE21 GLN A 27 33.735 4.260 -29.573 1.00 44.23 H new ATOM 0 HE22 GLN A 27 35.311 3.553 -29.202 1.00 44.23 H new ATOM 436 N VAL A 28 29.124 0.427 -30.379 1.00 3.05 N ATOM 437 CA VAL A 28 27.861 0.582 -29.668 1.00 24.14 C ATOM 438 C VAL A 28 28.089 0.739 -28.169 1.00 72.01 C ATOM 439 O VAL A 28 28.885 0.014 -27.571 1.00 14.41 O ATOM 440 CB VAL A 28 26.930 -0.621 -29.910 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.516 -1.883 -29.295 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.542 -0.342 -29.353 1.00 44.43 C ATOM 0 H VAL A 28 29.596 -0.462 -30.212 1.00 3.05 H new ATOM 0 HA VAL A 28 27.388 1.484 -30.057 1.00 24.14 H new ATOM 0 HB VAL A 28 26.840 -0.777 -30.985 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.844 -2.722 -29.476 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.486 -2.091 -29.746 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.638 -1.742 -28.221 1.00 4.54 H new ATOM 0 HG21 VAL A 28 24.898 -1.203 -29.533 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.610 -0.158 -28.281 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.122 0.535 -29.846 1.00 44.43 H new ATOM 452 N VAL A 29 27.385 1.693 -27.566 1.00 62.35 N ATOM 453 CA VAL A 29 27.511 1.945 -26.136 1.00 73.41 C ATOM 454 C VAL A 29 26.160 1.830 -25.437 1.00 41.43 C ATOM 455 O VAL A 29 25.107 2.082 -26.023 1.00 63.42 O ATOM 456 CB VAL A 29 28.100 3.341 -25.861 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.619 3.302 -25.927 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.542 4.357 -26.846 1.00 63.42 C ATOM 0 H VAL A 29 26.723 2.303 -28.046 1.00 62.35 H new ATOM 0 HA VAL A 29 28.189 1.188 -25.740 1.00 73.41 H new ATOM 0 HB VAL A 29 27.812 3.647 -24.855 1.00 24.34 H new ATOM 0 HG11 VAL A 29 30.017 4.297 -25.730 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.998 2.605 -25.179 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.932 2.976 -26.919 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.969 5.338 -26.638 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.799 4.058 -27.862 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.458 4.404 -26.745 1.00 63.42 H new ATOM 468 N PRO A 30 26.188 1.441 -24.154 1.00 73.00 N ATOM 469 CA PRO A 30 24.974 1.285 -23.347 1.00 3.14 C ATOM 470 C PRO A 30 24.313 2.621 -23.029 1.00 71.14 C ATOM 471 O PRO A 30 24.990 3.635 -22.863 1.00 11.03 O ATOM 472 CB PRO A 30 25.483 0.622 -22.065 1.00 20.11 C ATOM 473 CG PRO A 30 26.916 1.023 -21.974 1.00 44.03 C ATOM 474 CD PRO A 30 27.407 1.125 -23.392 1.00 41.22 C ATOM 0 HA PRO A 30 24.210 0.707 -23.868 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.921 0.960 -21.194 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.377 -0.462 -22.111 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.023 1.975 -21.454 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.492 0.287 -21.413 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.162 1.904 -23.501 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.860 0.193 -23.728 1.00 41.22 H new ATOM 482 N ALA A 31 22.987 2.615 -22.946 1.00 53.34 N ATOM 483 CA ALA A 31 22.235 3.827 -22.645 1.00 43.44 C ATOM 484 C ALA A 31 20.971 3.507 -21.856 1.00 41.51 C ATOM 485 O ALA A 31 20.016 2.944 -22.392 1.00 52.01 O ATOM 486 CB ALA A 31 21.885 4.563 -23.930 1.00 11.05 C ATOM 0 H ALA A 31 22.411 1.784 -23.083 1.00 53.34 H new ATOM 0 HA ALA A 31 22.863 4.471 -22.029 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.324 5.466 -23.691 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.801 4.834 -24.455 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.279 3.917 -24.566 1.00 11.05 H new ATOM 492 N LYS A 32 20.970 3.867 -20.576 1.00 42.21 N ATOM 493 CA LYS A 32 19.822 3.620 -19.712 1.00 42.03 C ATOM 494 C LYS A 32 18.689 4.593 -20.018 1.00 53.43 C ATOM 495 O LYS A 32 18.892 5.807 -20.047 1.00 15.15 O ATOM 496 CB LYS A 32 20.230 3.741 -18.242 1.00 10.13 C ATOM 497 CG LYS A 32 19.055 3.709 -17.280 1.00 15.14 C ATOM 498 CD LYS A 32 19.513 3.511 -15.845 1.00 43.25 C ATOM 499 CE LYS A 32 20.079 4.795 -15.258 1.00 41.14 C ATOM 500 NZ LYS A 32 19.858 4.879 -13.789 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.752 4.331 -20.115 1.00 42.21 H new ATOM 0 HA LYS A 32 19.467 2.607 -19.903 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.913 2.928 -17.995 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.779 4.672 -18.101 1.00 10.13 H new ATOM 0 HG2 LYS A 32 18.494 4.640 -17.358 1.00 15.14 H new ATOM 0 HG3 LYS A 32 18.376 2.904 -17.560 1.00 15.14 H new ATOM 0 HD2 LYS A 32 18.674 3.171 -15.238 1.00 43.25 H new ATOM 0 HD3 LYS A 32 20.271 2.728 -15.809 1.00 43.25 H new ATOM 0 HE2 LYS A 32 21.147 4.850 -15.468 1.00 41.14 H new ATOM 0 HE3 LYS A 32 19.614 5.652 -15.745 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 20.258 5.768 -13.428 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 18.838 4.852 -13.589 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 20.323 4.075 -13.321 1.00 23.12 H new ATOM 514 N ALA A 33 17.496 4.053 -20.246 1.00 74.42 N ATOM 515 CA ALA A 33 16.331 4.875 -20.548 1.00 62.44 C ATOM 516 C ALA A 33 15.378 4.933 -19.358 1.00 33.43 C ATOM 517 O ALA A 33 14.869 3.906 -18.906 1.00 52.11 O ATOM 518 CB ALA A 33 15.612 4.340 -21.777 1.00 44.12 C ATOM 0 H ALA A 33 17.311 3.050 -20.227 1.00 74.42 H new ATOM 0 HA ALA A 33 16.675 5.888 -20.755 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.744 4.964 -21.991 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.290 4.356 -22.631 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.287 3.316 -21.591 1.00 44.12 H new ATOM 524 N VAL A 34 15.139 6.139 -18.854 1.00 63.33 N ATOM 525 CA VAL A 34 14.247 6.330 -17.718 1.00 45.44 C ATOM 526 C VAL A 34 12.795 6.443 -18.171 1.00 54.42 C ATOM 527 O VAL A 34 12.518 6.835 -19.305 1.00 75.20 O ATOM 528 CB VAL A 34 14.621 7.591 -16.916 1.00 12.22 C ATOM 529 CG1 VAL A 34 13.863 7.631 -15.598 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.123 7.644 -16.678 1.00 72.31 C ATOM 0 H VAL A 34 15.551 6.999 -19.215 1.00 63.33 H new ATOM 0 HA VAL A 34 14.359 5.454 -17.079 1.00 45.44 H new ATOM 0 HB VAL A 34 14.336 8.468 -17.498 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.141 8.529 -15.046 1.00 2.34 H new ATOM 0 HG12 VAL A 34 12.791 7.643 -15.795 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.113 6.750 -15.007 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.370 8.541 -16.110 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.434 6.762 -16.117 1.00 72.31 H new ATOM 0 HG23 VAL A 34 16.643 7.667 -17.636 1.00 72.31 H new ATOM 540 N CYS A 35 11.874 6.097 -17.279 1.00 52.54 N ATOM 541 CA CYS A 35 10.450 6.158 -17.587 1.00 31.55 C ATOM 542 C CYS A 35 10.051 7.561 -18.036 1.00 12.13 C ATOM 543 O CYS A 35 10.031 8.496 -17.239 1.00 51.25 O ATOM 544 CB CYS A 35 9.625 5.746 -16.368 1.00 11.41 C ATOM 545 SG CYS A 35 7.841 5.948 -16.581 1.00 13.12 S ATOM 0 H CYS A 35 12.088 5.771 -16.336 1.00 52.54 H new ATOM 0 HA CYS A 35 10.250 5.464 -18.403 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.836 4.702 -16.136 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.947 6.335 -15.509 1.00 11.41 H new ATOM 0 HG CYS A 35 7.324 4.830 -16.997 1.00 13.12 H new ATOM 551 N GLY A 36 9.734 7.698 -19.320 1.00 33.13 N ATOM 552 CA GLY A 36 9.342 8.990 -19.854 1.00 22.01 C ATOM 553 C GLY A 36 10.472 9.679 -20.593 1.00 2.31 C ATOM 554 O GLY A 36 10.240 10.608 -21.365 1.00 12.12 O ATOM 0 H GLY A 36 9.742 6.938 -20.000 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.497 8.859 -20.530 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.002 9.629 -19.039 1.00 22.01 H new ATOM 558 N SER A 37 11.697 9.223 -20.356 1.00 14.13 N ATOM 559 CA SER A 37 12.868 9.806 -21.001 1.00 31.10 C ATOM 560 C SER A 37 12.842 9.551 -22.504 1.00 73.20 C ATOM 561 O SER A 37 12.436 8.480 -22.959 1.00 73.03 O ATOM 562 CB SER A 37 14.149 9.230 -20.395 1.00 61.42 C ATOM 563 OG SER A 37 15.042 10.262 -20.013 1.00 54.42 O ATOM 0 H SER A 37 11.905 8.451 -19.722 1.00 14.13 H new ATOM 0 HA SER A 37 12.848 10.883 -20.833 1.00 31.10 H new ATOM 0 HB2 SER A 37 13.901 8.619 -19.527 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.634 8.574 -21.118 1.00 61.42 H new ATOM 0 HG SER A 37 15.852 9.868 -19.627 1.00 54.42 H new ATOM 569 N THR A 38 13.280 10.542 -23.274 1.00 25.44 N ATOM 570 CA THR A 38 13.306 10.428 -24.727 1.00 13.34 C ATOM 571 C THR A 38 14.689 10.013 -25.220 1.00 44.22 C ATOM 572 O THR A 38 15.688 10.196 -24.525 1.00 73.14 O ATOM 573 CB THR A 38 12.909 11.754 -25.403 1.00 44.44 C ATOM 574 OG1 THR A 38 13.867 12.770 -25.086 1.00 11.42 O ATOM 575 CG2 THR A 38 11.525 12.196 -24.954 1.00 11.40 C ATOM 0 H THR A 38 13.622 11.433 -22.915 1.00 25.44 H new ATOM 0 HA THR A 38 12.580 9.661 -24.997 1.00 13.34 H new ATOM 0 HB THR A 38 12.890 11.597 -26.481 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.654 13.587 -25.583 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.266 13.134 -25.444 1.00 11.40 H new ATOM 0 HG22 THR A 38 10.794 11.433 -25.222 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.521 12.338 -23.873 1.00 11.40 H new ATOM 583 N VAL A 39 14.738 9.454 -26.425 1.00 70.42 N ATOM 584 CA VAL A 39 15.998 9.014 -27.012 1.00 33.14 C ATOM 585 C VAL A 39 17.053 10.112 -26.934 1.00 42.12 C ATOM 586 O VAL A 39 18.121 9.921 -26.350 1.00 10.21 O ATOM 587 CB VAL A 39 15.816 8.597 -28.484 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.147 8.179 -29.089 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.795 7.475 -28.596 1.00 35.23 C ATOM 0 H VAL A 39 13.920 9.295 -27.013 1.00 70.42 H new ATOM 0 HA VAL A 39 16.332 8.151 -26.436 1.00 33.14 H new ATOM 0 HB VAL A 39 15.443 9.455 -29.044 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.999 7.888 -30.129 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.846 9.014 -29.042 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.552 7.335 -28.530 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.678 7.192 -29.642 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.137 6.613 -28.023 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.837 7.814 -28.203 1.00 35.23 H new ATOM 599 N LEU A 40 16.748 11.262 -27.524 1.00 4.40 N ATOM 600 CA LEU A 40 17.670 12.392 -27.522 1.00 4.13 C ATOM 601 C LEU A 40 18.095 12.744 -26.099 1.00 3.52 C ATOM 602 O LEU A 40 19.227 13.170 -25.867 1.00 65.40 O ATOM 603 CB LEU A 40 17.021 13.606 -28.187 1.00 11.34 C ATOM 604 CG LEU A 40 15.565 13.881 -27.809 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.344 15.367 -27.576 1.00 31.55 C ATOM 606 CD2 LEU A 40 14.627 13.363 -28.890 1.00 22.30 C ATOM 0 H LEU A 40 15.869 11.437 -28.010 1.00 4.40 H new ATOM 0 HA LEU A 40 18.557 12.107 -28.087 1.00 4.13 H new ATOM 0 HB2 LEU A 40 17.612 14.488 -27.942 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.076 13.476 -29.268 1.00 11.34 H new ATOM 0 HG LEU A 40 15.345 13.353 -26.881 1.00 34.30 H new ATOM 0 HD11 LEU A 40 14.302 15.542 -27.308 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.989 15.708 -26.766 1.00 31.55 H new ATOM 0 HD13 LEU A 40 15.582 15.917 -28.486 1.00 31.55 H new ATOM 0 HD21 LEU A 40 13.595 13.567 -28.605 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.848 13.862 -29.833 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.765 12.288 -29.007 1.00 22.30 H new ATOM 618 N ASP A 41 17.183 12.560 -25.152 1.00 72.45 N ATOM 619 CA ASP A 41 17.464 12.855 -23.751 1.00 42.14 C ATOM 620 C ASP A 41 18.398 11.806 -23.153 1.00 25.23 C ATOM 621 O ASP A 41 19.145 12.088 -22.216 1.00 10.41 O ATOM 622 CB ASP A 41 16.163 12.915 -22.949 1.00 13.44 C ATOM 623 CG ASP A 41 16.332 13.636 -21.627 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.284 13.307 -20.888 1.00 41.20 O ATOM 625 OD2 ASP A 41 15.513 14.530 -21.331 1.00 64.23 O1- ATOM 0 H ASP A 41 16.242 12.208 -25.328 1.00 72.45 H new ATOM 0 HA ASP A 41 17.957 13.826 -23.701 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.398 13.419 -23.540 1.00 13.44 H new ATOM 0 HB3 ASP A 41 15.806 11.902 -22.764 1.00 13.44 H new ATOM 630 N VAL A 42 18.348 10.597 -23.700 1.00 2.11 N ATOM 631 CA VAL A 42 19.189 9.505 -23.220 1.00 13.25 C ATOM 632 C VAL A 42 20.626 9.667 -23.702 1.00 11.24 C ATOM 633 O VAL A 42 21.571 9.514 -22.928 1.00 54.34 O ATOM 634 CB VAL A 42 18.653 8.138 -23.684 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.443 7.009 -23.042 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.171 8.010 -23.367 1.00 61.21 C ATOM 0 H VAL A 42 17.735 10.347 -24.476 1.00 2.11 H new ATOM 0 HA VAL A 42 19.168 9.543 -22.131 1.00 13.25 H new ATOM 0 HB VAL A 42 18.777 8.067 -24.765 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.050 6.051 -23.382 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.492 7.092 -23.326 1.00 3.53 H new ATOM 0 HG13 VAL A 42 19.354 7.074 -21.958 1.00 3.53 H new ATOM 0 HG21 VAL A 42 16.810 7.038 -23.702 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.020 8.102 -22.292 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.620 8.798 -23.880 1.00 61.21 H new ATOM 646 N ALA A 43 20.783 9.978 -24.984 1.00 21.42 N ATOM 647 CA ALA A 43 22.106 10.163 -25.569 1.00 20.42 C ATOM 648 C ALA A 43 22.922 11.172 -24.769 1.00 42.52 C ATOM 649 O ALA A 43 24.152 11.110 -24.744 1.00 14.32 O ATOM 650 CB ALA A 43 21.983 10.608 -27.018 1.00 62.22 C ATOM 0 H ALA A 43 20.011 10.107 -25.638 1.00 21.42 H new ATOM 0 HA ALA A 43 22.629 9.207 -25.538 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.978 10.743 -27.443 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.445 9.850 -27.587 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.438 11.551 -27.064 1.00 62.22 H new ATOM 656 N HIS A 44 22.232 12.103 -24.118 1.00 12.51 N ATOM 657 CA HIS A 44 22.895 13.126 -23.317 1.00 50.24 C ATOM 658 C HIS A 44 23.474 12.527 -22.040 1.00 54.31 C ATOM 659 O HIS A 44 24.566 12.896 -21.606 1.00 12.45 O ATOM 660 CB HIS A 44 21.914 14.246 -22.969 1.00 75.20 C ATOM 661 CG HIS A 44 22.582 15.534 -22.600 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.131 16.352 -21.584 1.00 44.12 N ATOM 663 CD2 HIS A 44 23.675 16.145 -23.115 1.00 13.23 C ATOM 664 CE1 HIS A 44 22.917 17.410 -21.492 1.00 32.52 C ATOM 665 NE2 HIS A 44 23.862 17.307 -22.409 1.00 53.52 N ATOM 0 H HIS A 44 21.214 12.170 -24.129 1.00 12.51 H new ATOM 0 HA HIS A 44 23.713 13.539 -23.907 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.256 14.419 -23.820 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.285 13.922 -22.140 1.00 75.20 H new ATOM 0 HD2 HIS A 44 24.286 15.785 -23.930 1.00 13.23 H new ATOM 0 HE1 HIS A 44 22.806 18.221 -20.787 1.00 32.52 H new ATOM 0 HE2 HIS A 44 24.610 17.982 -22.567 1.00 53.52 H new ATOM 673 N LYS A 45 22.736 11.599 -21.440 1.00 13.22 N ATOM 674 CA LYS A 45 23.175 10.947 -20.212 1.00 44.10 C ATOM 675 C LYS A 45 24.409 10.087 -20.464 1.00 71.53 C ATOM 676 O LYS A 45 25.409 10.197 -19.756 1.00 73.03 O ATOM 677 CB LYS A 45 22.049 10.084 -19.637 1.00 74.53 C ATOM 678 CG LYS A 45 20.701 10.784 -19.609 1.00 40.45 C ATOM 679 CD LYS A 45 20.770 12.095 -18.845 1.00 63.15 C ATOM 680 CE LYS A 45 21.146 11.873 -17.388 1.00 32.12 C ATOM 681 NZ LYS A 45 21.168 13.149 -16.620 1.00 61.40 N1+ ATOM 0 H LYS A 45 21.830 11.281 -21.785 1.00 13.22 H new ATOM 0 HA LYS A 45 23.434 11.723 -19.492 1.00 44.10 H new ATOM 0 HB2 LYS A 45 21.963 9.172 -20.228 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.314 9.783 -18.623 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.367 10.973 -20.629 1.00 40.45 H new ATOM 0 HG3 LYS A 45 19.960 10.131 -19.147 1.00 40.45 H new ATOM 0 HD2 LYS A 45 21.502 12.753 -19.314 1.00 63.15 H new ATOM 0 HD3 LYS A 45 19.806 12.600 -18.900 1.00 63.15 H new ATOM 0 HE2 LYS A 45 20.435 11.186 -16.930 1.00 32.12 H new ATOM 0 HE3 LYS A 45 22.126 11.400 -17.334 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 21.428 12.955 -15.632 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.865 13.796 -17.041 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 20.226 13.588 -16.650 1.00 61.40 H new ATOM 695 N ASN A 46 24.332 9.232 -21.480 1.00 44.51 N ATOM 696 CA ASN A 46 25.444 8.354 -21.826 1.00 43.23 C ATOM 697 C ASN A 46 26.583 9.145 -22.464 1.00 15.11 C ATOM 698 O ASN A 46 27.755 8.811 -22.295 1.00 20.00 O ATOM 699 CB ASN A 46 24.975 7.254 -22.779 1.00 55.02 C ATOM 700 CG ASN A 46 26.057 6.228 -23.055 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.341 5.903 -24.208 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.667 5.711 -21.994 1.00 50.43 N ATOM 0 H ASN A 46 23.512 9.129 -22.077 1.00 44.51 H new ATOM 0 HA ASN A 46 25.813 7.896 -20.908 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.105 6.755 -22.353 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.656 7.703 -23.719 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.403 5.016 -22.117 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.399 6.010 -21.056 1.00 50.43 H new ATOM 709 N GLY A 47 26.227 10.194 -23.199 1.00 71.54 N ATOM 710 CA GLY A 47 27.231 11.015 -23.852 1.00 65.12 C ATOM 711 C GLY A 47 27.319 10.749 -25.341 1.00 62.25 C ATOM 712 O GLY A 47 28.089 11.396 -26.052 1.00 22.30 O ATOM 0 H GLY A 47 25.263 10.490 -23.354 1.00 71.54 H new ATOM 0 HA2 GLY A 47 26.999 12.067 -23.687 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.203 10.828 -23.395 1.00 65.12 H new ATOM 716 N VAL A 48 26.530 9.791 -25.817 1.00 31.22 N ATOM 717 CA VAL A 48 26.522 9.440 -27.232 1.00 41.02 C ATOM 718 C VAL A 48 26.324 10.673 -28.105 1.00 3.44 C ATOM 719 O VAL A 48 25.568 11.580 -27.754 1.00 22.32 O ATOM 720 CB VAL A 48 25.415 8.417 -27.551 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.410 8.079 -29.034 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.590 7.162 -26.709 1.00 32.44 C ATOM 0 H VAL A 48 25.888 9.244 -25.243 1.00 31.22 H new ATOM 0 HA VAL A 48 27.493 8.995 -27.451 1.00 41.02 H new ATOM 0 HB VAL A 48 24.451 8.862 -27.302 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.621 7.355 -29.240 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.231 8.985 -29.613 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.374 7.654 -29.314 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.799 6.451 -26.948 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.560 6.712 -26.923 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.537 7.423 -25.652 1.00 32.44 H new ATOM 732 N ASP A 49 27.009 10.703 -29.242 1.00 40.14 N ATOM 733 CA ASP A 49 26.909 11.826 -30.167 1.00 14.22 C ATOM 734 C ASP A 49 25.582 11.793 -30.920 1.00 34.02 C ATOM 735 O ASP A 49 25.516 11.336 -32.062 1.00 75.21 O ATOM 736 CB ASP A 49 28.073 11.804 -31.159 1.00 52.55 C ATOM 737 CG ASP A 49 28.084 13.019 -32.065 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.926 14.146 -31.550 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.253 12.843 -33.290 1.00 61.21 O1- ATOM 0 H ASP A 49 27.640 9.962 -29.546 1.00 40.14 H new ATOM 0 HA ASP A 49 26.955 12.747 -29.587 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.013 11.755 -30.610 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.011 10.901 -31.767 1.00 52.55 H new ATOM 744 N LEU A 50 24.529 12.279 -30.272 1.00 12.10 N ATOM 745 CA LEU A 50 23.203 12.304 -30.881 1.00 14.20 C ATOM 746 C LEU A 50 22.645 13.723 -30.913 1.00 31.24 C ATOM 747 O LEU A 50 22.342 14.304 -29.871 1.00 24.23 O ATOM 748 CB LEU A 50 22.250 11.387 -30.112 1.00 11.15 C ATOM 749 CG LEU A 50 21.105 10.778 -30.921 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.212 11.870 -31.488 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.650 9.899 -32.038 1.00 5.33 C ATOM 0 H LEU A 50 24.567 12.660 -29.327 1.00 12.10 H new ATOM 0 HA LEU A 50 23.294 11.946 -31.906 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.832 10.575 -29.676 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.822 11.953 -29.284 1.00 11.15 H new ATOM 0 HG LEU A 50 20.506 10.156 -30.255 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.403 11.417 -32.061 1.00 70.43 H new ATOM 0 HD12 LEU A 50 19.794 12.458 -30.671 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.799 12.518 -32.139 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.821 9.474 -32.604 1.00 5.33 H new ATOM 0 HD22 LEU A 50 22.273 10.499 -32.702 1.00 5.33 H new ATOM 0 HD23 LEU A 50 22.247 9.094 -31.609 1.00 5.33 H new ATOM 905 N CYS A 63 16.329 16.073 -38.042 1.00 12.42 N ATOM 906 CA CYS A 63 17.273 15.021 -37.684 1.00 3.52 C ATOM 907 C CYS A 63 16.772 13.658 -38.153 1.00 2.45 C ATOM 908 O CYS A 63 15.571 13.452 -38.325 1.00 4.13 O ATOM 909 CB CYS A 63 17.498 15.002 -36.171 1.00 25.53 C ATOM 910 SG CYS A 63 15.963 14.938 -35.192 1.00 22.10 S ATOM 0 HA CYS A 63 18.219 15.231 -38.182 1.00 3.52 H new ATOM 0 HB2 CYS A 63 18.115 14.140 -35.917 1.00 25.53 H new ATOM 0 HB3 CYS A 63 18.061 15.891 -35.887 1.00 25.53 H new ATOM 0 HG CYS A 63 16.256 14.924 -33.926 1.00 22.10 H new ATOM 915 N HIS A 64 17.702 12.730 -38.356 1.00 63.44 N ATOM 916 CA HIS A 64 17.356 11.386 -38.804 1.00 3.42 C ATOM 917 C HIS A 64 18.295 10.351 -38.192 1.00 30.22 C ATOM 918 O HIS A 64 19.515 10.453 -38.318 1.00 61.33 O ATOM 919 CB HIS A 64 17.413 11.304 -40.330 1.00 52.43 C ATOM 920 CG HIS A 64 16.792 12.481 -41.017 1.00 13.30 C ATOM 921 ND1 HIS A 64 17.418 13.704 -41.127 1.00 62.35 N ATOM 922 CD2 HIS A 64 15.594 12.616 -41.633 1.00 65.44 C ATOM 923 CE1 HIS A 64 16.632 14.542 -41.779 1.00 13.15 C ATOM 924 NE2 HIS A 64 15.519 13.906 -42.098 1.00 23.12 N ATOM 0 H HIS A 64 18.701 12.884 -38.217 1.00 63.44 H new ATOM 0 HA HIS A 64 16.340 11.170 -38.474 1.00 3.42 H new ATOM 0 HB2 HIS A 64 18.454 11.219 -40.642 1.00 52.43 H new ATOM 0 HB3 HIS A 64 16.907 10.395 -40.656 1.00 52.43 H new ATOM 0 HD2 HIS A 64 14.838 11.852 -41.739 1.00 65.44 H new ATOM 0 HE1 HIS A 64 16.860 15.572 -42.012 1.00 13.15 H new ATOM 0 HE2 HIS A 64 14.732 14.308 -42.607 1.00 23.12 H new ATOM 932 N VAL A 65 17.718 9.355 -37.527 1.00 61.11 N ATOM 933 CA VAL A 65 18.502 8.301 -36.896 1.00 32.34 C ATOM 934 C VAL A 65 18.013 6.921 -37.322 1.00 22.50 C ATOM 935 O VAL A 65 16.830 6.733 -37.609 1.00 34.33 O ATOM 936 CB VAL A 65 18.445 8.402 -35.360 1.00 11.13 C ATOM 937 CG1 VAL A 65 17.022 8.201 -34.864 1.00 72.25 C ATOM 938 CG2 VAL A 65 19.389 7.393 -34.724 1.00 23.01 C ATOM 0 H VAL A 65 16.709 9.256 -37.412 1.00 61.11 H new ATOM 0 HA VAL A 65 19.533 8.435 -37.224 1.00 32.34 H new ATOM 0 HB VAL A 65 18.768 9.401 -35.067 1.00 11.13 H new ATOM 0 HG11 VAL A 65 17.002 8.276 -33.777 1.00 72.25 H new ATOM 0 HG12 VAL A 65 16.376 8.967 -35.293 1.00 72.25 H new ATOM 0 HG13 VAL A 65 16.667 7.216 -35.167 1.00 72.25 H new ATOM 0 HG21 VAL A 65 19.336 7.479 -33.639 1.00 23.01 H new ATOM 0 HG22 VAL A 65 19.100 6.386 -35.023 1.00 23.01 H new ATOM 0 HG23 VAL A 65 20.409 7.591 -35.054 1.00 23.01 H new ATOM 948 N ILE A 66 18.929 5.960 -37.359 1.00 21.12 N ATOM 949 CA ILE A 66 18.591 4.597 -37.748 1.00 32.41 C ATOM 950 C ILE A 66 18.213 3.757 -36.533 1.00 54.10 C ATOM 951 O ILE A 66 18.906 3.771 -35.514 1.00 14.31 O ATOM 952 CB ILE A 66 19.757 3.916 -38.487 1.00 13.50 C ATOM 953 CG1 ILE A 66 20.355 4.865 -39.528 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.288 2.627 -39.145 1.00 64.43 C ATOM 955 CD1 ILE A 66 21.573 4.306 -40.228 1.00 62.21 C ATOM 0 H ILE A 66 19.912 6.100 -37.124 1.00 21.12 H new ATOM 0 HA ILE A 66 17.736 4.664 -38.421 1.00 32.41 H new ATOM 0 HB ILE A 66 20.532 3.669 -37.761 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.594 5.100 -40.273 1.00 41.34 H new ATOM 0 HG13 ILE A 66 20.624 5.802 -39.041 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.124 2.158 -39.663 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.906 1.948 -38.383 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.497 2.851 -39.861 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.943 5.033 -40.951 1.00 62.21 H new ATOM 0 HD12 ILE A 66 22.351 4.097 -39.494 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.305 3.384 -40.744 1.00 62.21 H new ATOM 967 N LEU A 67 17.112 3.023 -36.648 1.00 62.31 N ATOM 968 CA LEU A 67 16.641 2.173 -35.558 1.00 64.04 C ATOM 969 C LEU A 67 16.582 0.713 -35.994 1.00 12.11 C ATOM 970 O LEU A 67 16.524 0.414 -37.187 1.00 61.41 O ATOM 971 CB LEU A 67 15.262 2.633 -35.086 1.00 53.02 C ATOM 972 CG LEU A 67 14.821 2.131 -33.710 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.885 2.433 -32.667 1.00 12.14 C ATOM 974 CD2 LEU A 67 13.491 2.754 -33.315 1.00 10.33 C ATOM 0 H LEU A 67 16.528 2.999 -37.484 1.00 62.31 H new ATOM 0 HA LEU A 67 17.347 2.258 -34.732 1.00 64.04 H new ATOM 0 HB2 LEU A 67 15.249 3.723 -35.074 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.523 2.313 -35.821 1.00 53.02 H new ATOM 0 HG LEU A 67 14.690 1.050 -33.763 1.00 54.25 H new ATOM 0 HD11 LEU A 67 15.555 2.069 -31.694 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.816 1.937 -32.943 1.00 12.14 H new ATOM 0 HD13 LEU A 67 16.049 3.509 -32.615 1.00 12.14 H new ATOM 0 HD21 LEU A 67 13.194 2.385 -32.333 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.594 3.839 -33.279 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.731 2.486 -34.049 1.00 10.33 H new ATOM 986 N GLU A 68 16.595 -0.192 -35.020 1.00 71.02 N ATOM 987 CA GLU A 68 16.542 -1.621 -35.304 1.00 2.24 C ATOM 988 C GLU A 68 15.496 -1.923 -36.374 1.00 45.14 C ATOM 989 O GLU A 68 14.395 -1.373 -36.352 1.00 70.41 O ATOM 990 CB GLU A 68 16.226 -2.405 -34.030 1.00 2.12 C ATOM 991 CG GLU A 68 17.388 -3.246 -33.528 1.00 61.11 C ATOM 992 CD GLU A 68 17.084 -4.731 -33.543 1.00 60.41 C ATOM 993 OE1 GLU A 68 16.412 -5.207 -32.603 1.00 23.25 O ATOM 994 OE2 GLU A 68 17.516 -5.416 -34.493 1.00 54.52 O1- ATOM 0 H GLU A 68 16.642 0.039 -34.028 1.00 71.02 H new ATOM 0 HA GLU A 68 17.519 -1.929 -35.677 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.930 -1.706 -33.248 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.372 -3.056 -34.216 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.265 -3.052 -34.146 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.640 -2.941 -32.512 1.00 61.11 H new ATOM 1001 N GLU A 69 15.850 -2.802 -37.307 1.00 22.44 N ATOM 1002 CA GLU A 69 14.942 -3.177 -38.385 1.00 73.04 C ATOM 1003 C GLU A 69 13.659 -3.788 -37.829 1.00 43.43 C ATOM 1004 O GLU A 69 12.551 -3.332 -38.111 1.00 23.14 O ATOM 1005 CB GLU A 69 15.623 -4.167 -39.333 1.00 71.35 C ATOM 1006 CG GLU A 69 16.101 -3.537 -40.630 1.00 42.54 C ATOM 1007 CD GLU A 69 17.009 -4.455 -41.425 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.489 -5.222 -42.263 1.00 54.15 O ATOM 1009 OE2 GLU A 69 18.238 -4.407 -41.210 1.00 42.34 O1- ATOM 0 H GLU A 69 16.757 -3.267 -37.338 1.00 22.44 H new ATOM 0 HA GLU A 69 14.683 -2.274 -38.938 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.474 -4.619 -38.823 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.926 -4.973 -39.565 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.238 -3.269 -41.239 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.632 -2.612 -40.406 1.00 42.54 H new ATOM 1016 N PRO A 70 13.812 -4.847 -37.019 1.00 54.22 N ATOM 1017 CA PRO A 70 12.677 -5.544 -36.406 1.00 20.10 C ATOM 1018 C PRO A 70 11.989 -4.702 -35.337 1.00 1.22 C ATOM 1019 O PRO A 70 10.774 -4.794 -35.147 1.00 33.25 O ATOM 1020 CB PRO A 70 13.320 -6.784 -35.778 1.00 54.11 C ATOM 1021 CG PRO A 70 14.735 -6.392 -35.531 1.00 53.54 C ATOM 1022 CD PRO A 70 15.103 -5.445 -36.639 1.00 23.21 C ATOM 0 HA PRO A 70 11.898 -5.773 -37.133 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.819 -7.063 -34.851 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.258 -7.643 -36.446 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.843 -5.914 -34.557 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.387 -7.265 -35.531 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.813 -4.689 -36.303 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.566 -5.967 -37.476 1.00 23.21 H new ATOM 1030 N LEU A 71 12.769 -3.882 -34.643 1.00 73.21 N ATOM 1031 CA LEU A 71 12.233 -3.023 -33.592 1.00 71.13 C ATOM 1032 C LEU A 71 11.236 -2.020 -34.165 1.00 14.24 C ATOM 1033 O LEU A 71 10.148 -1.832 -33.621 1.00 22.31 O ATOM 1034 CB LEU A 71 13.369 -2.281 -32.884 1.00 11.33 C ATOM 1035 CG LEU A 71 12.997 -1.572 -31.581 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.247 -2.481 -30.388 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.780 -0.275 -31.439 1.00 52.41 C ATOM 0 H LEU A 71 13.775 -3.793 -34.788 1.00 73.21 H new ATOM 0 HA LEU A 71 11.713 -3.654 -32.871 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.165 -2.994 -32.672 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.778 -1.542 -33.573 1.00 11.33 H new ATOM 0 HG LEU A 71 11.934 -1.331 -31.611 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.977 -1.959 -29.470 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.642 -3.383 -30.485 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.302 -2.754 -30.353 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.503 0.217 -30.506 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.848 -0.494 -31.431 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.551 0.382 -32.278 1.00 52.41 H new ATOM 1049 N TYR A 72 11.615 -1.380 -35.267 1.00 23.13 N ATOM 1050 CA TYR A 72 10.754 -0.397 -35.913 1.00 72.33 C ATOM 1051 C TYR A 72 9.579 -1.076 -36.611 1.00 64.33 C ATOM 1052 O TYR A 72 8.428 -0.674 -36.443 1.00 54.01 O ATOM 1053 CB TYR A 72 11.555 0.426 -36.924 1.00 62.53 C ATOM 1054 CG TYR A 72 10.825 1.654 -37.418 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.155 1.645 -38.636 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.805 2.824 -36.669 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.487 2.766 -39.091 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.139 3.949 -37.116 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.482 3.914 -38.329 1.00 14.41 C ATOM 1060 OH TYR A 72 8.818 5.032 -38.778 1.00 23.11 O ATOM 0 H TYR A 72 12.512 -1.525 -35.730 1.00 23.13 H new ATOM 0 HA TYR A 72 10.361 0.267 -35.143 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.496 0.732 -36.467 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.806 -0.205 -37.777 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.157 0.747 -39.236 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.320 2.855 -35.720 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.971 2.742 -40.040 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.133 4.850 -36.520 1.00 12.54 H new ATOM 0 HH TYR A 72 8.912 5.754 -38.122 1.00 23.11 H new ATOM 1070 N ARG A 73 9.879 -2.108 -37.392 1.00 65.44 N ATOM 1071 CA ARG A 73 8.850 -2.844 -38.115 1.00 14.13 C ATOM 1072 C ARG A 73 7.787 -3.376 -37.158 1.00 11.43 C ATOM 1073 O ARG A 73 6.601 -3.410 -37.487 1.00 2.21 O ATOM 1074 CB ARG A 73 9.473 -4.001 -38.897 1.00 24.52 C ATOM 1075 CG ARG A 73 8.852 -4.216 -40.267 1.00 20.20 C ATOM 1076 CD ARG A 73 9.758 -3.705 -41.376 1.00 62.31 C ATOM 1077 NE ARG A 73 9.056 -3.600 -42.653 1.00 14.20 N ATOM 1078 CZ ARG A 73 9.636 -3.206 -43.781 1.00 65.04 C ATOM 1079 NH1 ARG A 73 10.921 -2.882 -43.791 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 8.930 -3.135 -44.902 1.00 13.35 N ATOM 0 H ARG A 73 10.827 -2.453 -37.540 1.00 65.44 H new ATOM 0 HA ARG A 73 8.373 -2.158 -38.815 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.540 -3.814 -39.017 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.373 -4.917 -38.315 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.656 -5.278 -40.416 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.891 -3.704 -40.316 1.00 20.20 H new ATOM 0 HD2 ARG A 73 10.154 -2.728 -41.099 1.00 62.31 H new ATOM 0 HD3 ARG A 73 10.610 -4.375 -41.485 1.00 62.31 H new ATOM 0 HE ARG A 73 8.066 -3.843 -42.680 1.00 14.20 H new ATOM 0 HH11 ARG A 73 11.467 -2.935 -42.931 1.00 12.32 H new ATOM 0 HH12 ARG A 73 11.364 -2.580 -44.659 1.00 12.32 H new ATOM 0 HH21 ARG A 73 7.941 -3.383 -44.898 1.00 13.35 H new ATOM 0 HH22 ARG A 73 9.377 -2.832 -45.768 1.00 13.35 H new ATOM 1094 N LYS A 74 8.221 -3.791 -35.973 1.00 33.12 N ATOM 1095 CA LYS A 74 7.309 -4.321 -34.967 1.00 31.02 C ATOM 1096 C LYS A 74 6.533 -3.196 -34.289 1.00 63.21 C ATOM 1097 O LYS A 74 5.319 -3.289 -34.103 1.00 75.00 O ATOM 1098 CB LYS A 74 8.084 -5.123 -33.918 1.00 65.31 C ATOM 1099 CG LYS A 74 8.428 -6.534 -34.364 1.00 40.52 C ATOM 1100 CD LYS A 74 8.896 -7.389 -33.199 1.00 34.44 C ATOM 1101 CE LYS A 74 7.725 -8.036 -32.475 1.00 41.15 C ATOM 1102 NZ LYS A 74 8.125 -9.297 -31.791 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.199 -3.770 -35.686 1.00 33.12 H new ATOM 0 HA LYS A 74 6.599 -4.979 -35.468 1.00 31.02 H new ATOM 0 HB2 LYS A 74 9.005 -4.593 -33.675 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.494 -5.174 -33.003 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.554 -6.994 -34.826 1.00 40.52 H new ATOM 0 HG3 LYS A 74 9.208 -6.496 -35.125 1.00 40.52 H new ATOM 0 HD2 LYS A 74 9.572 -8.163 -33.563 1.00 34.44 H new ATOM 0 HD3 LYS A 74 9.462 -6.774 -32.500 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.320 -7.338 -31.742 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.928 -8.247 -33.188 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 7.300 -9.708 -31.309 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 8.488 -9.973 -32.493 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 8.867 -9.092 -31.092 1.00 30.01 H new ATOM 1116 N LEU A 75 7.241 -2.133 -33.921 1.00 52.50 N ATOM 1117 CA LEU A 75 6.618 -0.989 -33.266 1.00 65.55 C ATOM 1118 C LEU A 75 5.599 -0.322 -34.185 1.00 75.21 C ATOM 1119 O LEU A 75 4.409 -0.273 -33.878 1.00 64.44 O ATOM 1120 CB LEU A 75 7.683 0.026 -32.846 1.00 21.23 C ATOM 1121 CG LEU A 75 8.065 0.024 -31.366 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.943 0.614 -30.524 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.397 -1.387 -30.901 1.00 51.32 C ATOM 0 H LEU A 75 8.246 -2.040 -34.065 1.00 52.50 H new ATOM 0 HA LEU A 75 6.098 -1.350 -32.379 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.583 -0.158 -33.433 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.329 1.023 -33.108 1.00 21.23 H new ATOM 0 HG LEU A 75 8.952 0.644 -31.240 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.233 0.604 -29.473 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.753 1.640 -30.839 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.038 0.021 -30.656 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.667 -1.368 -29.845 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.529 -2.030 -31.042 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.234 -1.774 -31.482 1.00 51.32 H new ATOM 1135 N GLY A 76 6.075 0.189 -35.316 1.00 21.42 N ATOM 1136 CA GLY A 76 5.193 0.845 -36.264 1.00 10.52 C ATOM 1137 C GLY A 76 5.934 1.377 -37.474 1.00 14.51 C ATOM 1138 O GLY A 76 7.143 1.599 -37.421 1.00 71.33 O ATOM 0 H GLY A 76 7.056 0.160 -35.593 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.428 0.141 -36.591 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.678 1.667 -35.767 1.00 10.52 H new ATOM 1142 N GLU A 77 5.208 1.581 -38.569 1.00 31.22 N ATOM 1143 CA GLU A 77 5.806 2.088 -39.797 1.00 3.31 C ATOM 1144 C GLU A 77 4.999 3.258 -40.353 1.00 55.51 C ATOM 1145 O GLU A 77 3.814 3.423 -40.060 1.00 65.31 O ATOM 1146 CB GLU A 77 5.898 0.975 -40.844 1.00 60.22 C ATOM 1147 CG GLU A 77 4.665 0.088 -40.898 1.00 64.43 C ATOM 1148 CD GLU A 77 4.728 -0.930 -42.020 1.00 52.41 C ATOM 1149 OE1 GLU A 77 3.689 -1.154 -42.676 1.00 31.24 O ATOM 1150 OE2 GLU A 77 5.815 -1.502 -42.242 1.00 22.41 O1- ATOM 0 H GLU A 77 4.206 1.403 -38.630 1.00 31.22 H new ATOM 0 HA GLU A 77 6.810 2.440 -39.562 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.057 1.423 -41.825 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.771 0.358 -40.630 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.554 -0.432 -39.946 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.779 0.710 -41.026 1.00 64.43 H new ATOM 1157 N PRO A 78 5.655 4.093 -41.174 1.00 13.34 N ATOM 1158 CA PRO A 78 5.018 5.262 -41.788 1.00 21.23 C ATOM 1159 C PRO A 78 3.989 4.874 -42.843 1.00 62.01 C ATOM 1160 O PRO A 78 3.748 3.691 -43.085 1.00 42.25 O ATOM 1161 CB PRO A 78 6.191 6.005 -42.432 1.00 40.44 C ATOM 1162 CG PRO A 78 7.215 4.954 -42.683 1.00 2.43 C ATOM 1163 CD PRO A 78 7.067 3.957 -41.567 1.00 41.44 C ATOM 0 HA PRO A 78 4.466 5.856 -41.060 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.889 6.493 -43.359 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.576 6.783 -41.773 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.059 4.481 -43.652 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.218 5.381 -42.694 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.296 2.945 -41.900 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.738 4.180 -40.738 1.00 41.44 H new ATOM 1171 N SER A 79 3.384 5.879 -43.470 1.00 1.54 N ATOM 1172 CA SER A 79 2.378 5.642 -44.499 1.00 22.12 C ATOM 1173 C SER A 79 3.002 5.692 -45.890 1.00 55.34 C ATOM 1174 O SER A 79 4.215 5.839 -46.035 1.00 42.34 O ATOM 1175 CB SER A 79 1.258 6.679 -44.393 1.00 75.41 C ATOM 1176 OG SER A 79 0.389 6.382 -43.314 1.00 71.31 O ATOM 0 H SER A 79 3.573 6.864 -43.283 1.00 1.54 H new ATOM 0 HA SER A 79 1.960 4.647 -44.343 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.688 7.671 -44.255 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.692 6.704 -45.324 1.00 75.41 H new ATOM 0 HG SER A 79 -0.317 7.060 -43.266 1.00 71.31 H new ATOM 1182 N ASP A 80 2.162 5.566 -46.913 1.00 2.42 N ATOM 1183 CA ASP A 80 2.628 5.596 -48.294 1.00 64.33 C ATOM 1184 C ASP A 80 3.384 6.890 -48.583 1.00 41.21 C ATOM 1185 O ASP A 80 4.444 6.876 -49.210 1.00 61.31 O ATOM 1186 CB ASP A 80 1.449 5.454 -49.256 1.00 42.53 C ATOM 1187 CG ASP A 80 0.657 4.183 -49.018 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.551 4.167 -49.335 1.00 61.52 O ATOM 1189 OD2 ASP A 80 1.246 3.203 -48.515 1.00 62.51 O1- ATOM 0 H ASP A 80 1.155 5.442 -46.811 1.00 2.42 H new ATOM 0 HA ASP A 80 3.308 4.757 -48.441 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.790 6.315 -49.148 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.818 5.462 -50.282 1.00 42.53 H new ATOM 1194 N LYS A 81 2.831 8.008 -48.125 1.00 63.24 N ATOM 1195 CA LYS A 81 3.451 9.311 -48.334 1.00 42.30 C ATOM 1196 C LYS A 81 4.897 9.309 -47.848 1.00 52.43 C ATOM 1197 O LYS A 81 5.822 9.545 -48.624 1.00 13.12 O ATOM 1198 CB LYS A 81 2.659 10.399 -47.605 1.00 24.44 C ATOM 1199 CG LYS A 81 1.301 10.680 -48.225 1.00 13.30 C ATOM 1200 CD LYS A 81 0.391 11.423 -47.262 1.00 11.42 C ATOM 1201 CE LYS A 81 0.604 12.927 -47.341 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.784 13.362 -46.543 1.00 62.13 N1+ ATOM 0 H LYS A 81 1.953 8.038 -47.606 1.00 63.24 H new ATOM 0 HA LYS A 81 3.445 9.521 -49.404 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.520 10.101 -46.566 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.243 11.319 -47.598 1.00 24.44 H new ATOM 0 HG2 LYS A 81 1.430 11.269 -49.133 1.00 13.30 H new ATOM 0 HG3 LYS A 81 0.832 9.740 -48.518 1.00 13.30 H new ATOM 0 HD2 LYS A 81 -0.649 11.189 -47.489 1.00 11.42 H new ATOM 0 HD3 LYS A 81 0.580 11.081 -46.244 1.00 11.42 H new ATOM 0 HE2 LYS A 81 0.741 13.220 -48.382 1.00 51.52 H new ATOM 0 HE3 LYS A 81 -0.288 13.440 -46.980 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 1.623 14.323 -46.180 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 1.923 12.710 -45.745 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 2.632 13.357 -47.146 1.00 62.13 H new ATOM 1216 N GLU A 82 5.084 9.040 -46.559 1.00 13.40 N ATOM 1217 CA GLU A 82 6.418 9.007 -45.972 1.00 22.15 C ATOM 1218 C GLU A 82 7.270 7.917 -46.617 1.00 24.23 C ATOM 1219 O GLU A 82 8.494 8.026 -46.677 1.00 2.21 O ATOM 1220 CB GLU A 82 6.329 8.774 -44.462 1.00 53.12 C ATOM 1221 CG GLU A 82 6.321 10.057 -43.648 1.00 71.53 C ATOM 1222 CD GLU A 82 5.033 10.842 -43.808 1.00 12.30 C ATOM 1223 OE1 GLU A 82 3.975 10.340 -43.375 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.084 11.956 -44.368 1.00 32.01 O1- ATOM 0 H GLU A 82 4.329 8.842 -45.902 1.00 13.40 H new ATOM 0 HA GLU A 82 6.892 9.971 -46.156 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.423 8.209 -44.243 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.172 8.159 -44.147 1.00 53.12 H new ATOM 0 HG2 GLU A 82 6.466 9.816 -42.595 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.162 10.680 -43.951 1.00 71.53 H new ATOM 1231 N TYR A 83 6.612 6.867 -47.096 1.00 32.52 N ATOM 1232 CA TYR A 83 7.308 5.756 -47.733 1.00 21.41 C ATOM 1233 C TYR A 83 8.060 6.224 -48.976 1.00 74.33 C ATOM 1234 O TYR A 83 9.268 6.026 -49.096 1.00 30.25 O ATOM 1235 CB TYR A 83 6.317 4.652 -48.107 1.00 60.15 C ATOM 1236 CG TYR A 83 6.482 3.388 -47.295 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.374 3.411 -45.910 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.746 2.172 -47.911 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.524 2.259 -45.162 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.897 1.015 -47.173 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.785 1.063 -45.798 1.00 11.20 C ATOM 1242 OH TYR A 83 6.936 -0.088 -45.059 1.00 41.13 O ATOM 0 H TYR A 83 5.598 6.762 -47.055 1.00 32.52 H new ATOM 0 HA TYR A 83 8.032 5.359 -47.021 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.302 5.027 -47.977 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.435 4.413 -49.164 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.169 4.346 -45.409 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.835 2.130 -48.987 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.437 2.295 -44.086 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.102 0.078 -47.669 1.00 71.42 H new ATOM 0 HH TYR A 83 7.114 -0.841 -45.660 1.00 41.13 H new ATOM 1252 N ASP A 84 7.333 6.848 -49.897 1.00 24.14 N ATOM 1253 CA ASP A 84 7.929 7.346 -51.131 1.00 41.30 C ATOM 1254 C ASP A 84 8.903 8.484 -50.843 1.00 24.23 C ATOM 1255 O ASP A 84 9.997 8.538 -51.406 1.00 11.41 O ATOM 1256 CB ASP A 84 6.839 7.821 -52.093 1.00 33.25 C ATOM 1257 CG ASP A 84 7.211 7.600 -53.546 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.426 8.600 -54.263 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.289 6.426 -53.965 1.00 45.14 O1- ATOM 0 H ASP A 84 6.331 7.021 -49.812 1.00 24.14 H new ATOM 0 HA ASP A 84 8.481 6.529 -51.595 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.911 7.293 -51.875 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.649 8.881 -51.927 1.00 33.25 H new ATOM 1264 N LEU A 85 8.497 9.395 -49.964 1.00 20.31 N ATOM 1265 CA LEU A 85 9.333 10.534 -49.601 1.00 5.33 C ATOM 1266 C LEU A 85 10.712 10.072 -49.141 1.00 63.15 C ATOM 1267 O LEU A 85 11.732 10.611 -49.572 1.00 64.22 O ATOM 1268 CB LEU A 85 8.662 11.353 -48.497 1.00 32.10 C ATOM 1269 CG LEU A 85 8.984 12.848 -48.480 1.00 40.23 C ATOM 1270 CD1 LEU A 85 8.256 13.564 -49.608 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.617 13.457 -47.135 1.00 5.43 C ATOM 0 H LEU A 85 7.594 9.367 -49.490 1.00 20.31 H new ATOM 0 HA LEU A 85 9.456 11.160 -50.485 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.582 11.235 -48.590 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.947 10.929 -47.534 1.00 32.10 H new ATOM 0 HG LEU A 85 10.056 12.971 -48.632 1.00 40.23 H new ATOM 0 HD11 LEU A 85 8.497 14.627 -49.580 1.00 13.40 H new ATOM 0 HD12 LEU A 85 8.568 13.146 -50.565 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.181 13.433 -49.488 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.853 14.521 -47.141 1.00 5.43 H new ATOM 0 HD22 LEU A 85 7.551 13.323 -46.954 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.184 12.964 -46.345 1.00 5.43 H new ATOM 1283 N ILE A 86 10.735 9.071 -48.268 1.00 45.10 N ATOM 1284 CA ILE A 86 11.989 8.536 -47.753 1.00 32.42 C ATOM 1285 C ILE A 86 12.691 7.678 -48.800 1.00 52.13 C ATOM 1286 O ILE A 86 13.919 7.656 -48.877 1.00 14.31 O ATOM 1287 CB ILE A 86 11.762 7.695 -46.484 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.114 8.545 -45.390 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.078 7.108 -45.995 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.528 7.731 -44.258 1.00 63.41 C ATOM 0 H ILE A 86 9.900 8.614 -47.902 1.00 45.10 H new ATOM 0 HA ILE A 86 12.619 9.390 -47.505 1.00 32.42 H new ATOM 0 HB ILE A 86 11.087 6.874 -46.727 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.858 9.231 -44.986 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.327 9.154 -45.834 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.901 6.516 -45.097 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.503 6.472 -46.771 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.774 7.915 -45.766 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.086 8.400 -43.520 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.760 7.064 -44.649 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.315 7.142 -43.788 1.00 63.41 H new ATOM 1302 N ASP A 87 11.903 6.974 -49.605 1.00 50.21 N ATOM 1303 CA ASP A 87 12.449 6.116 -50.651 1.00 61.54 C ATOM 1304 C ASP A 87 13.185 6.941 -51.702 1.00 73.01 C ATOM 1305 O ASP A 87 13.948 6.403 -52.504 1.00 74.03 O ATOM 1306 CB ASP A 87 11.331 5.307 -51.311 1.00 35.13 C ATOM 1307 CG ASP A 87 11.299 3.869 -50.834 1.00 41.55 C ATOM 1308 OD1 ASP A 87 10.188 3.323 -50.664 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.385 3.285 -50.633 1.00 51.34 O1- ATOM 0 H ASP A 87 10.884 6.980 -49.554 1.00 50.21 H new ATOM 0 HA ASP A 87 13.160 5.431 -50.190 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.371 5.779 -51.099 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.463 5.325 -52.393 1.00 35.13 H new ATOM 1314 N GLN A 88 12.950 8.250 -51.691 1.00 32.35 N ATOM 1315 CA GLN A 88 13.590 9.147 -52.644 1.00 71.22 C ATOM 1316 C GLN A 88 15.047 9.395 -52.267 1.00 44.01 C ATOM 1317 O GLN A 88 15.791 10.036 -53.007 1.00 30.30 O ATOM 1318 CB GLN A 88 12.837 10.477 -52.711 1.00 71.55 C ATOM 1319 CG GLN A 88 11.586 10.424 -53.572 1.00 72.24 C ATOM 1320 CD GLN A 88 11.175 11.788 -54.091 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.633 12.817 -53.593 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.307 11.804 -55.095 1.00 31.43 N ATOM 0 H GLN A 88 12.322 8.711 -51.033 1.00 32.35 H new ATOM 0 HA GLN A 88 13.563 8.671 -53.624 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.561 10.780 -51.701 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.505 11.244 -53.102 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.758 9.756 -54.416 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.768 9.999 -52.991 1.00 72.24 H new ATOM 0 HE21 GLN A 88 9.953 10.927 -55.477 1.00 31.43 H new ATOM 0 HE22 GLN A 88 9.994 12.693 -55.484 1.00 31.43 H new ATOM 1331 N ALA A 89 15.448 8.880 -51.108 1.00 43.05 N ATOM 1332 CA ALA A 89 16.816 9.044 -50.632 1.00 33.15 C ATOM 1333 C ALA A 89 17.606 7.748 -50.778 1.00 24.14 C ATOM 1334 O ALA A 89 17.112 6.668 -50.452 1.00 71.13 O ATOM 1335 CB ALA A 89 16.820 9.506 -49.183 1.00 12.20 C ATOM 0 H ALA A 89 14.845 8.346 -50.482 1.00 43.05 H new ATOM 0 HA ALA A 89 17.299 9.805 -51.245 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.848 9.624 -48.842 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.300 10.460 -49.104 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.315 8.765 -48.563 1.00 12.20 H new ATOM 1341 N PHE A 90 18.836 7.861 -51.270 1.00 74.20 N ATOM 1342 CA PHE A 90 19.694 6.697 -51.459 1.00 75.52 C ATOM 1343 C PHE A 90 19.845 5.915 -50.157 1.00 71.45 C ATOM 1344 O PHE A 90 20.243 6.466 -49.133 1.00 12.24 O ATOM 1345 CB PHE A 90 21.069 7.129 -51.971 1.00 64.23 C ATOM 1346 CG PHE A 90 21.820 8.004 -51.008 1.00 13.13 C ATOM 1347 CD1 PHE A 90 22.766 7.463 -50.152 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.579 9.367 -50.958 1.00 65.35 C ATOM 1349 CE1 PHE A 90 23.458 8.265 -49.265 1.00 45.43 C ATOM 1350 CE2 PHE A 90 22.268 10.174 -50.073 1.00 31.34 C ATOM 1351 CZ PHE A 90 23.207 9.623 -49.225 1.00 1.02 C ATOM 0 H PHE A 90 19.261 8.747 -51.545 1.00 74.20 H new ATOM 0 HA PHE A 90 19.226 6.048 -52.199 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.664 6.241 -52.183 1.00 64.23 H new ATOM 0 HB3 PHE A 90 20.946 7.662 -52.914 1.00 64.23 H new ATOM 0 HD1 PHE A 90 22.965 6.402 -50.179 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.844 9.804 -51.618 1.00 65.35 H new ATOM 0 HE1 PHE A 90 24.194 7.831 -48.604 1.00 45.43 H new ATOM 0 HE2 PHE A 90 22.072 11.236 -50.045 1.00 31.34 H new ATOM 0 HZ PHE A 90 23.745 10.252 -48.531 1.00 1.02 H new ATOM 1361 N GLY A 91 19.524 4.626 -50.208 1.00 12.51 N ATOM 1362 CA GLY A 91 19.630 3.788 -49.027 1.00 14.41 C ATOM 1363 C GLY A 91 18.923 4.386 -47.827 1.00 73.13 C ATOM 1364 O GLY A 91 19.446 4.358 -46.714 1.00 4.35 O ATOM 0 H GLY A 91 19.193 4.147 -51.045 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.207 2.807 -49.242 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.682 3.636 -48.786 1.00 14.41 H new ATOM 1368 N ALA A 92 17.732 4.930 -48.054 1.00 4.24 N ATOM 1369 CA ALA A 92 16.952 5.536 -46.983 1.00 70.22 C ATOM 1370 C ALA A 92 15.851 4.597 -46.505 1.00 24.25 C ATOM 1371 O ALA A 92 15.301 3.819 -47.286 1.00 13.15 O ATOM 1372 CB ALA A 92 16.357 6.858 -47.446 1.00 0.13 C ATOM 0 H ALA A 92 17.286 4.963 -48.971 1.00 4.24 H new ATOM 0 HA ALA A 92 17.621 5.725 -46.143 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.777 7.300 -46.636 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.160 7.539 -47.730 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.708 6.684 -48.304 1.00 0.13 H new ATOM 1378 N THR A 93 15.531 4.672 -45.217 1.00 45.11 N ATOM 1379 CA THR A 93 14.497 3.827 -44.635 1.00 43.04 C ATOM 1380 C THR A 93 13.690 4.587 -43.588 1.00 51.13 C ATOM 1381 O THR A 93 14.184 5.533 -42.977 1.00 12.44 O ATOM 1382 CB THR A 93 15.100 2.567 -43.985 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.288 2.178 -44.683 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.100 1.421 -43.997 1.00 75.11 C ATOM 0 H THR A 93 15.974 5.311 -44.557 1.00 45.11 H new ATOM 0 HA THR A 93 13.839 3.527 -45.451 1.00 43.04 H new ATOM 0 HB THR A 93 15.347 2.801 -42.950 1.00 14.42 H new ATOM 0 HG1 THR A 93 16.667 1.377 -44.263 1.00 31.50 H new ATOM 0 HG21 THR A 93 14.548 0.542 -43.533 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.208 1.710 -43.441 1.00 75.11 H new ATOM 0 HG23 THR A 93 13.826 1.188 -45.026 1.00 75.11 H new ATOM 1392 N GLY A 94 12.445 4.167 -43.387 1.00 64.34 N ATOM 1393 CA GLY A 94 11.589 4.819 -42.413 1.00 73.52 C ATOM 1394 C GLY A 94 12.213 4.865 -41.032 1.00 11.42 C ATOM 1395 O GLY A 94 12.077 5.856 -40.314 1.00 75.13 O ATOM 0 H GLY A 94 12.013 3.386 -43.882 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.374 5.835 -42.745 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.636 4.292 -42.361 1.00 73.52 H new ATOM 1399 N THR A 95 12.900 3.790 -40.658 1.00 3.02 N ATOM 1400 CA THR A 95 13.544 3.710 -39.354 1.00 45.00 C ATOM 1401 C THR A 95 14.793 4.582 -39.303 1.00 1.41 C ATOM 1402 O THR A 95 15.466 4.660 -38.276 1.00 53.40 O ATOM 1403 CB THR A 95 13.931 2.260 -39.006 1.00 64.24 C ATOM 1404 OG1 THR A 95 14.918 2.251 -37.969 1.00 24.23 O ATOM 1405 CG2 THR A 95 14.468 1.534 -40.230 1.00 23.25 C ATOM 0 H THR A 95 13.024 2.962 -41.241 1.00 3.02 H new ATOM 0 HA THR A 95 12.821 4.071 -38.623 1.00 45.00 H new ATOM 0 HB THR A 95 13.036 1.743 -38.660 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.463 1.440 -38.043 1.00 24.23 H new ATOM 0 HG21 THR A 95 14.734 0.512 -39.959 1.00 23.25 H new ATOM 0 HG22 THR A 95 13.704 1.516 -41.007 1.00 23.25 H new ATOM 0 HG23 THR A 95 15.351 2.053 -40.602 1.00 23.25 H new ATOM 1413 N SER A 96 15.096 5.238 -40.418 1.00 4.44 N ATOM 1414 CA SER A 96 16.267 6.104 -40.501 1.00 60.11 C ATOM 1415 C SER A 96 15.927 7.522 -40.054 1.00 71.41 C ATOM 1416 O SER A 96 16.815 8.322 -39.761 1.00 10.54 O ATOM 1417 CB SER A 96 16.811 6.125 -41.932 1.00 33.34 C ATOM 1418 OG SER A 96 18.108 6.695 -41.976 1.00 54.01 O ATOM 0 H SER A 96 14.547 5.187 -41.276 1.00 4.44 H new ATOM 0 HA SER A 96 17.031 5.705 -39.834 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.843 5.110 -42.327 1.00 33.34 H new ATOM 0 HB3 SER A 96 16.138 6.695 -42.572 1.00 33.34 H new ATOM 0 HG SER A 96 18.146 7.468 -41.375 1.00 54.01 H new ATOM 1424 N ARG A 97 14.634 7.826 -40.004 1.00 14.14 N ATOM 1425 CA ARG A 97 14.175 9.148 -39.593 1.00 44.44 C ATOM 1426 C ARG A 97 13.318 9.058 -38.334 1.00 41.24 C ATOM 1427 O ARG A 97 12.623 8.066 -38.112 1.00 64.24 O ATOM 1428 CB ARG A 97 13.378 9.807 -40.721 1.00 70.20 C ATOM 1429 CG ARG A 97 12.719 11.116 -40.315 1.00 33.41 C ATOM 1430 CD ARG A 97 11.977 11.750 -41.482 1.00 21.13 C ATOM 1431 NE ARG A 97 10.619 11.228 -41.616 1.00 44.32 N ATOM 1432 CZ ARG A 97 9.616 11.576 -40.818 1.00 45.23 C ATOM 1433 NH1 ARG A 97 9.817 12.443 -39.835 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 8.409 11.058 -41.004 1.00 33.05 N ATOM 0 H ARG A 97 13.886 7.175 -40.243 1.00 14.14 H new ATOM 0 HA ARG A 97 15.051 9.758 -39.372 1.00 44.44 H new ATOM 0 HB2 ARG A 97 14.043 9.991 -41.565 1.00 70.20 H new ATOM 0 HB3 ARG A 97 12.610 9.114 -41.065 1.00 70.20 H new ATOM 0 HG2 ARG A 97 12.024 10.936 -39.495 1.00 33.41 H new ATOM 0 HG3 ARG A 97 13.477 11.807 -39.945 1.00 33.41 H new ATOM 0 HD2 ARG A 97 11.938 12.830 -41.343 1.00 21.13 H new ATOM 0 HD3 ARG A 97 12.528 11.567 -42.404 1.00 21.13 H new ATOM 0 HE ARG A 97 10.431 10.560 -42.363 1.00 44.32 H new ATOM 0 HH11 ARG A 97 10.744 12.844 -39.690 1.00 54.10 H new ATOM 0 HH12 ARG A 97 9.045 12.709 -39.224 1.00 54.10 H new ATOM 0 HH21 ARG A 97 8.251 10.392 -41.760 1.00 33.05 H new ATOM 0 HH22 ARG A 97 7.639 11.326 -40.391 1.00 33.05 H new ATOM 1448 N LEU A 98 13.372 10.101 -37.513 1.00 2.12 N ATOM 1449 CA LEU A 98 12.601 10.141 -36.275 1.00 73.45 C ATOM 1450 C LEU A 98 11.663 11.344 -36.257 1.00 21.34 C ATOM 1451 O LEU A 98 11.560 12.079 -37.238 1.00 13.34 O ATOM 1452 CB LEU A 98 13.539 10.193 -35.069 1.00 23.22 C ATOM 1453 CG LEU A 98 14.347 11.481 -34.900 1.00 64.21 C ATOM 1454 CD1 LEU A 98 14.579 11.778 -33.427 1.00 54.22 C ATOM 1455 CD2 LEU A 98 15.672 11.380 -35.642 1.00 44.21 C ATOM 0 H LEU A 98 13.941 10.930 -37.682 1.00 2.12 H new ATOM 0 HA LEU A 98 11.999 9.234 -36.220 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.947 10.039 -34.167 1.00 23.22 H new ATOM 0 HB3 LEU A 98 14.236 9.358 -35.140 1.00 23.22 H new ATOM 0 HG LEU A 98 13.775 12.304 -35.328 1.00 64.21 H new ATOM 0 HD11 LEU A 98 15.155 12.698 -33.328 1.00 54.22 H new ATOM 0 HD12 LEU A 98 13.619 11.895 -32.924 1.00 54.22 H new ATOM 0 HD13 LEU A 98 15.129 10.954 -32.972 1.00 54.22 H new ATOM 0 HD21 LEU A 98 16.234 12.305 -35.511 1.00 44.21 H new ATOM 0 HD22 LEU A 98 16.249 10.545 -35.244 1.00 44.21 H new ATOM 0 HD23 LEU A 98 15.483 11.217 -36.703 1.00 44.21 H new ATOM 1467 N GLY A 99 10.982 11.540 -35.132 1.00 65.55 N ATOM 1468 CA GLY A 99 10.063 12.655 -35.005 1.00 71.01 C ATOM 1469 C GLY A 99 10.262 13.428 -33.717 1.00 52.33 C ATOM 1470 O GLY A 99 9.475 14.316 -33.388 1.00 62.04 O ATOM 0 H GLY A 99 11.051 10.946 -34.306 1.00 65.55 H new ATOM 0 HA2 GLY A 99 10.194 13.328 -35.853 1.00 71.01 H new ATOM 0 HA3 GLY A 99 9.039 12.284 -35.048 1.00 71.01 H new ATOM 1474 N CYS A 100 11.318 13.089 -32.983 1.00 23.20 N ATOM 1475 CA CYS A 100 11.617 13.755 -31.720 1.00 42.23 C ATOM 1476 C CYS A 100 10.486 13.554 -30.717 1.00 61.43 C ATOM 1477 O CYS A 100 9.402 13.096 -31.074 1.00 22.54 O ATOM 1478 CB CYS A 100 11.848 15.250 -31.951 1.00 12.14 C ATOM 1479 SG CYS A 100 12.966 15.623 -33.341 1.00 33.11 S ATOM 0 H CYS A 100 11.980 12.357 -33.241 1.00 23.20 H new ATOM 0 HA CYS A 100 12.525 13.312 -31.310 1.00 42.23 H new ATOM 0 HB2 CYS A 100 10.887 15.732 -32.132 1.00 12.14 H new ATOM 0 HB3 CYS A 100 12.258 15.688 -31.041 1.00 12.14 H new ATOM 0 HG CYS A 100 13.989 14.822 -33.302 1.00 33.11 H new ATOM 1484 N GLN A 101 10.750 13.897 -29.460 1.00 51.23 N ATOM 1485 CA GLN A 101 9.754 13.753 -28.404 1.00 32.50 C ATOM 1486 C GLN A 101 9.226 12.324 -28.346 1.00 24.44 C ATOM 1487 O GLN A 101 8.023 12.100 -28.210 1.00 62.34 O ATOM 1488 CB GLN A 101 8.597 14.728 -28.630 1.00 54.33 C ATOM 1489 CG GLN A 101 9.047 16.154 -28.905 1.00 51.15 C ATOM 1490 CD GLN A 101 10.047 16.657 -27.882 1.00 64.22 C ATOM 1491 OE1 GLN A 101 11.223 16.851 -28.190 1.00 14.41 O ATOM 1492 NE2 GLN A 101 9.583 16.874 -26.657 1.00 64.44 N ATOM 0 H GLN A 101 11.644 14.276 -29.148 1.00 51.23 H new ATOM 0 HA GLN A 101 10.233 13.983 -27.452 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.996 14.377 -29.469 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.952 14.723 -27.752 1.00 54.33 H new ATOM 0 HG2 GLN A 101 9.492 16.205 -29.899 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.177 16.811 -28.911 1.00 51.15 H new ATOM 0 HE21 GLN A 101 8.601 16.700 -26.445 1.00 64.44 H new ATOM 0 HE22 GLN A 101 10.209 17.215 -25.927 1.00 64.44 H new ATOM 1501 N LEU A 102 10.134 11.359 -28.448 1.00 65.25 N ATOM 1502 CA LEU A 102 9.760 9.949 -28.406 1.00 63.32 C ATOM 1503 C LEU A 102 10.223 9.301 -27.106 1.00 43.03 C ATOM 1504 O LEU A 102 11.349 8.812 -27.012 1.00 43.45 O ATOM 1505 CB LEU A 102 10.359 9.207 -29.602 1.00 54.24 C ATOM 1506 CG LEU A 102 9.491 9.146 -30.859 1.00 12.13 C ATOM 1507 CD1 LEU A 102 10.348 8.893 -32.089 1.00 65.13 C ATOM 1508 CD2 LEU A 102 8.425 8.068 -30.719 1.00 5.14 C ATOM 0 H LEU A 102 11.134 11.527 -28.560 1.00 65.25 H new ATOM 0 HA LEU A 102 8.673 9.885 -28.454 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.305 9.682 -29.861 1.00 54.24 H new ATOM 0 HB3 LEU A 102 10.588 8.187 -29.293 1.00 54.24 H new ATOM 0 HG LEU A 102 8.994 10.108 -30.980 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.712 8.853 -32.973 1.00 65.13 H new ATOM 0 HD12 LEU A 102 11.073 9.699 -32.199 1.00 65.13 H new ATOM 0 HD13 LEU A 102 10.874 7.945 -31.977 1.00 65.13 H new ATOM 0 HD21 LEU A 102 7.816 8.039 -31.623 1.00 5.14 H new ATOM 0 HD22 LEU A 102 8.904 7.100 -30.572 1.00 5.14 H new ATOM 0 HD23 LEU A 102 7.791 8.293 -29.862 1.00 5.14 H new ATOM 1520 N ARG A 103 9.348 9.299 -26.107 1.00 52.25 N ATOM 1521 CA ARG A 103 9.667 8.711 -24.812 1.00 12.23 C ATOM 1522 C ARG A 103 10.008 7.230 -24.957 1.00 22.20 C ATOM 1523 O ARG A 103 9.790 6.633 -26.011 1.00 3.34 O ATOM 1524 CB ARG A 103 8.493 8.882 -23.846 1.00 33.05 C ATOM 1525 CG ARG A 103 7.200 8.258 -24.342 1.00 62.04 C ATOM 1526 CD ARG A 103 6.241 9.312 -24.875 1.00 70.21 C ATOM 1527 NE ARG A 103 4.864 8.828 -24.918 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.055 8.818 -23.864 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.484 9.263 -22.691 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.815 8.361 -23.983 1.00 43.51 N ATOM 0 H ARG A 103 8.412 9.698 -26.169 1.00 52.25 H new ATOM 0 HA ARG A 103 10.537 9.230 -24.410 1.00 12.23 H new ATOM 0 HB2 ARG A 103 8.756 8.438 -22.886 1.00 33.05 H new ATOM 0 HB3 ARG A 103 8.329 9.945 -23.671 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.421 7.535 -25.128 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.724 7.709 -23.529 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.293 10.201 -24.246 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.551 9.611 -25.876 1.00 70.21 H new ATOM 0 HE ARG A 103 4.503 8.478 -25.806 1.00 53.42 H new ATOM 0 HH11 ARG A 103 5.437 9.614 -22.596 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.861 9.254 -21.883 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.482 8.017 -24.884 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.194 8.354 -23.174 1.00 43.51 H new ATOM 1544 N VAL A 104 10.544 6.644 -23.891 1.00 21.01 N ATOM 1545 CA VAL A 104 10.914 5.234 -23.900 1.00 23.15 C ATOM 1546 C VAL A 104 9.760 4.360 -23.421 1.00 51.50 C ATOM 1547 O VAL A 104 9.007 4.742 -22.525 1.00 20.41 O ATOM 1548 CB VAL A 104 12.144 4.971 -23.011 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.471 3.486 -22.976 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.337 5.777 -23.502 1.00 72.24 C ATOM 0 H VAL A 104 10.732 7.124 -23.011 1.00 21.01 H new ATOM 0 HA VAL A 104 11.158 4.977 -24.931 1.00 23.15 H new ATOM 0 HB VAL A 104 11.912 5.290 -21.995 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.343 3.320 -22.343 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.621 2.936 -22.574 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.684 3.137 -23.986 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.197 5.579 -22.863 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.573 5.490 -24.527 1.00 72.24 H new ATOM 0 HG23 VAL A 104 13.097 6.840 -23.469 1.00 72.24 H new ATOM 1560 N ASP A 105 9.626 3.184 -24.025 1.00 71.13 N ATOM 1561 CA ASP A 105 8.563 2.254 -23.661 1.00 40.04 C ATOM 1562 C ASP A 105 9.104 0.832 -23.542 1.00 72.04 C ATOM 1563 O ASP A 105 10.252 0.560 -23.896 1.00 10.30 O ATOM 1564 CB ASP A 105 7.439 2.300 -24.696 1.00 44.20 C ATOM 1565 CG ASP A 105 6.386 3.339 -24.361 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.761 4.503 -24.105 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.188 2.987 -24.354 1.00 33.31 O1- ATOM 0 H ASP A 105 10.240 2.852 -24.769 1.00 71.13 H new ATOM 0 HA ASP A 105 8.166 2.556 -22.692 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.861 2.518 -25.677 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.969 1.319 -24.762 1.00 44.20 H new ATOM 1572 N LYS A 106 8.270 -0.072 -23.041 1.00 24.41 N ATOM 1573 CA LYS A 106 8.663 -1.467 -22.874 1.00 72.51 C ATOM 1574 C LYS A 106 9.080 -2.077 -24.208 1.00 64.01 C ATOM 1575 O LYS A 106 10.027 -2.862 -24.273 1.00 34.22 O ATOM 1576 CB LYS A 106 7.511 -2.274 -22.270 1.00 13.33 C ATOM 1577 CG LYS A 106 7.863 -3.726 -21.996 1.00 33.41 C ATOM 1578 CD LYS A 106 6.635 -4.618 -22.058 1.00 30.24 C ATOM 1579 CE LYS A 106 5.965 -4.739 -20.698 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.960 -3.663 -20.478 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.317 0.136 -22.743 1.00 24.41 H new ATOM 0 HA LYS A 106 9.516 -1.500 -22.196 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.198 -1.803 -21.338 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.658 -2.237 -22.948 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.599 -4.067 -22.725 1.00 33.41 H new ATOM 0 HG3 LYS A 106 8.326 -3.810 -21.013 1.00 33.41 H new ATOM 0 HD2 LYS A 106 5.926 -4.213 -22.780 1.00 30.24 H new ATOM 0 HD3 LYS A 106 6.921 -5.608 -22.413 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.479 -5.712 -20.617 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.722 -4.695 -19.915 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.526 -3.780 -19.540 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 5.428 -2.735 -20.530 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 4.224 -3.721 -21.210 1.00 24.12 H new ATOM 1594 N SER A 107 8.369 -1.710 -25.270 1.00 1.32 N ATOM 1595 CA SER A 107 8.666 -2.224 -26.602 1.00 32.25 C ATOM 1596 C SER A 107 10.050 -1.778 -27.061 1.00 64.51 C ATOM 1597 O SER A 107 10.623 -2.348 -27.989 1.00 35.32 O ATOM 1598 CB SER A 107 7.607 -1.752 -27.600 1.00 25.21 C ATOM 1599 OG SER A 107 7.217 -2.802 -28.466 1.00 60.12 O ATOM 0 H SER A 107 7.584 -1.059 -25.234 1.00 1.32 H new ATOM 0 HA SER A 107 8.653 -3.313 -26.556 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.736 -1.379 -27.061 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.000 -0.921 -28.186 1.00 25.21 H new ATOM 0 HG SER A 107 6.538 -2.474 -29.093 1.00 60.12 H new ATOM 1605 N PHE A 108 10.582 -0.753 -26.404 1.00 54.12 N ATOM 1606 CA PHE A 108 11.900 -0.227 -26.744 1.00 31.34 C ATOM 1607 C PHE A 108 12.987 -0.910 -25.918 1.00 52.43 C ATOM 1608 O PHE A 108 14.142 -0.488 -25.927 1.00 20.31 O ATOM 1609 CB PHE A 108 11.944 1.285 -26.516 1.00 33.33 C ATOM 1610 CG PHE A 108 11.464 2.082 -27.695 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.177 3.186 -28.138 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.300 1.731 -28.359 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.739 3.921 -29.222 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.857 2.464 -29.444 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.577 3.561 -29.875 1.00 71.21 C ATOM 0 H PHE A 108 10.121 -0.270 -25.633 1.00 54.12 H new ATOM 0 HA PHE A 108 12.085 -0.433 -27.798 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.333 1.532 -25.648 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.967 1.579 -26.280 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.085 3.474 -27.629 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.732 0.875 -28.025 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.305 4.777 -29.559 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.949 2.179 -29.954 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.232 4.136 -30.721 1.00 71.21 H new ATOM 1625 N GLU A 109 12.606 -1.967 -25.207 1.00 45.42 N ATOM 1626 CA GLU A 109 13.548 -2.706 -24.376 1.00 14.13 C ATOM 1627 C GLU A 109 14.694 -3.262 -25.215 1.00 53.04 C ATOM 1628 O GLU A 109 14.472 -3.977 -26.192 1.00 0.14 O ATOM 1629 CB GLU A 109 12.834 -3.847 -23.647 1.00 15.44 C ATOM 1630 CG GLU A 109 13.692 -4.529 -22.595 1.00 21.13 C ATOM 1631 CD GLU A 109 12.966 -5.662 -21.897 1.00 40.23 C ATOM 1632 OE1 GLU A 109 11.729 -5.573 -21.750 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.635 -6.638 -21.496 1.00 62.22 O1- ATOM 0 H GLU A 109 11.653 -2.330 -25.190 1.00 45.42 H new ATOM 0 HA GLU A 109 13.961 -2.017 -23.640 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.934 -3.456 -23.172 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.512 -4.589 -24.378 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.597 -4.916 -23.064 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.007 -3.793 -21.855 1.00 21.13 H new ATOM 1640 N ASN A 110 15.922 -2.930 -24.826 1.00 40.22 N ATOM 1641 CA ASN A 110 17.103 -3.396 -25.543 1.00 12.52 C ATOM 1642 C ASN A 110 17.094 -2.901 -26.986 1.00 14.11 C ATOM 1643 O ASN A 110 17.756 -3.470 -27.852 1.00 14.41 O ATOM 1644 CB ASN A 110 17.172 -4.924 -25.516 1.00 53.45 C ATOM 1645 CG ASN A 110 17.991 -5.445 -24.352 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.432 -4.679 -23.495 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.201 -6.756 -24.316 1.00 13.04 N ATOM 0 H ASN A 110 16.124 -2.340 -24.019 1.00 40.22 H new ATOM 0 HA ASN A 110 17.983 -2.991 -25.044 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.162 -5.330 -25.456 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.605 -5.282 -26.450 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.746 -7.164 -23.557 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.817 -7.354 -25.047 1.00 13.04 H new ATOM 1654 N ALA A 111 16.338 -1.837 -27.236 1.00 11.53 N ATOM 1655 CA ALA A 111 16.245 -1.263 -28.573 1.00 33.33 C ATOM 1656 C ALA A 111 17.598 -0.741 -29.043 1.00 12.12 C ATOM 1657 O ALA A 111 18.269 0.004 -28.328 1.00 32.25 O ATOM 1658 CB ALA A 111 15.209 -0.149 -28.598 1.00 12.32 C ATOM 0 H ALA A 111 15.781 -1.355 -26.530 1.00 11.53 H new ATOM 0 HA ALA A 111 15.932 -2.051 -29.258 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.150 0.271 -29.602 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.236 -0.551 -28.315 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.498 0.632 -27.895 1.00 12.32 H new ATOM 1664 N VAL A 112 17.995 -1.138 -30.247 1.00 73.01 N ATOM 1665 CA VAL A 112 19.268 -0.709 -30.812 1.00 70.21 C ATOM 1666 C VAL A 112 19.097 0.539 -31.671 1.00 23.10 C ATOM 1667 O VAL A 112 18.377 0.524 -32.670 1.00 15.11 O ATOM 1668 CB VAL A 112 19.907 -1.822 -31.665 1.00 32.45 C ATOM 1669 CG1 VAL A 112 21.345 -1.468 -32.015 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.841 -3.155 -30.936 1.00 42.04 C ATOM 0 H VAL A 112 17.453 -1.757 -30.850 1.00 73.01 H new ATOM 0 HA VAL A 112 19.925 -0.481 -29.973 1.00 70.21 H new ATOM 0 HB VAL A 112 19.344 -1.913 -32.594 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.780 -2.266 -32.617 1.00 55.14 H new ATOM 0 HG12 VAL A 112 21.363 -0.536 -32.580 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.924 -1.349 -31.099 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.297 -3.930 -31.553 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.379 -3.080 -29.991 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.800 -3.412 -30.741 1.00 42.04 H new ATOM 1680 N PHE A 113 19.763 1.619 -31.276 1.00 22.12 N ATOM 1681 CA PHE A 113 19.684 2.876 -32.010 1.00 61.43 C ATOM 1682 C PHE A 113 20.972 3.136 -32.786 1.00 43.11 C ATOM 1683 O PHE A 113 21.969 3.590 -32.223 1.00 11.30 O ATOM 1684 CB PHE A 113 19.413 4.036 -31.048 1.00 14.33 C ATOM 1685 CG PHE A 113 18.013 4.045 -30.502 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.601 3.077 -29.601 1.00 12.52 C ATOM 1687 CD2 PHE A 113 17.111 5.023 -30.889 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.314 3.083 -29.096 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.824 5.034 -30.387 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.424 4.063 -29.490 1.00 54.32 C ATOM 0 H PHE A 113 20.363 1.649 -30.452 1.00 22.12 H new ATOM 0 HA PHE A 113 18.861 2.801 -32.721 1.00 61.43 H new ATOM 0 HB2 PHE A 113 20.118 3.982 -30.218 1.00 14.33 H new ATOM 0 HB3 PHE A 113 19.600 4.978 -31.565 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.293 2.309 -29.289 1.00 12.52 H new ATOM 0 HD2 PHE A 113 17.417 5.785 -31.591 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.005 2.322 -28.394 1.00 3.02 H new ATOM 0 HE2 PHE A 113 15.131 5.802 -30.696 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.418 4.070 -29.098 1.00 54.32 H new ATOM 1700 N THR A 114 20.945 2.842 -34.081 1.00 30.22 N ATOM 1701 CA THR A 114 22.109 3.041 -34.935 1.00 45.33 C ATOM 1702 C THR A 114 22.148 4.461 -35.491 1.00 52.03 C ATOM 1703 O THR A 114 21.152 4.962 -36.013 1.00 43.22 O ATOM 1704 CB THR A 114 22.123 2.043 -36.108 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.248 0.706 -35.612 1.00 32.32 O ATOM 1706 CG2 THR A 114 23.269 2.344 -37.063 1.00 73.44 C ATOM 0 H THR A 114 20.129 2.465 -34.562 1.00 30.22 H new ATOM 0 HA THR A 114 22.988 2.873 -34.313 1.00 45.33 H new ATOM 0 HB THR A 114 21.183 2.143 -36.651 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.254 0.077 -36.364 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.258 1.626 -37.883 1.00 73.44 H new ATOM 0 HG22 THR A 114 23.155 3.352 -37.462 1.00 73.44 H new ATOM 0 HG23 THR A 114 24.216 2.270 -36.529 1.00 73.44 H new ATOM 1714 N VAL A 115 23.306 5.104 -35.375 1.00 21.22 N ATOM 1715 CA VAL A 115 23.475 6.466 -35.868 1.00 72.13 C ATOM 1716 C VAL A 115 24.412 6.503 -37.069 1.00 32.00 C ATOM 1717 O VAL A 115 25.492 5.912 -37.064 1.00 71.13 O ATOM 1718 CB VAL A 115 24.027 7.395 -34.771 1.00 34.51 C ATOM 1719 CG1 VAL A 115 24.161 8.818 -35.292 1.00 32.02 C ATOM 1720 CG2 VAL A 115 23.136 7.352 -33.538 1.00 0.35 C ATOM 0 H VAL A 115 24.140 4.704 -34.945 1.00 21.22 H new ATOM 0 HA VAL A 115 22.489 6.818 -36.170 1.00 72.13 H new ATOM 0 HB VAL A 115 25.019 7.043 -34.487 1.00 34.51 H new ATOM 0 HG11 VAL A 115 24.552 9.459 -34.502 1.00 32.02 H new ATOM 0 HG12 VAL A 115 24.843 8.832 -36.142 1.00 32.02 H new ATOM 0 HG13 VAL A 115 23.183 9.184 -35.606 1.00 32.02 H new ATOM 0 HG21 VAL A 115 23.541 8.014 -32.773 1.00 0.35 H new ATOM 0 HG22 VAL A 115 22.130 7.678 -33.804 1.00 0.35 H new ATOM 0 HG23 VAL A 115 23.097 6.333 -33.152 1.00 0.35 H new ATOM 1730 N PRO A 116 23.992 7.216 -38.126 1.00 23.44 N ATOM 1731 CA PRO A 116 24.780 7.349 -39.355 1.00 12.20 C ATOM 1732 C PRO A 116 26.030 8.200 -39.154 1.00 62.14 C ATOM 1733 O PRO A 116 27.102 7.875 -39.662 1.00 15.32 O ATOM 1734 CB PRO A 116 23.815 8.037 -40.323 1.00 2.12 C ATOM 1735 CG PRO A 116 22.863 8.776 -39.447 1.00 24.01 C ATOM 1736 CD PRO A 116 22.716 7.946 -38.201 1.00 65.44 C ATOM 0 HA PRO A 116 25.146 6.386 -39.710 1.00 12.20 H new ATOM 0 HB2 PRO A 116 24.343 8.714 -40.994 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.296 7.310 -40.948 1.00 2.12 H new ATOM 0 HG2 PRO A 116 23.242 9.770 -39.211 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.901 8.910 -39.942 1.00 24.01 H new ATOM 0 HD2 PRO A 116 22.556 8.568 -37.320 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.867 7.266 -38.269 1.00 65.44 H new ATOM 1744 N ARG A 117 25.882 9.291 -38.408 1.00 4.04 N ATOM 1745 CA ARG A 117 26.999 10.189 -38.141 1.00 23.33 C ATOM 1746 C ARG A 117 27.188 10.389 -36.640 1.00 72.14 C ATOM 1747 O ARG A 117 26.435 11.124 -36.002 1.00 53.20 O ATOM 1748 CB ARG A 117 26.769 11.540 -38.821 1.00 24.40 C ATOM 1749 CG ARG A 117 27.924 12.513 -38.651 1.00 3.30 C ATOM 1750 CD ARG A 117 29.104 12.135 -39.533 1.00 34.14 C ATOM 1751 NE ARG A 117 30.332 12.809 -39.122 1.00 31.52 N ATOM 1752 CZ ARG A 117 30.548 14.109 -39.287 1.00 33.23 C ATOM 1753 NH1 ARG A 117 29.622 14.871 -39.852 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 31.692 14.649 -38.886 1.00 55.12 N ATOM 0 H ARG A 117 25.001 9.573 -37.979 1.00 4.04 H new ATOM 0 HA ARG A 117 27.903 9.735 -38.547 1.00 23.33 H new ATOM 0 HB2 ARG A 117 26.596 11.377 -39.885 1.00 24.40 H new ATOM 0 HB3 ARG A 117 25.863 11.991 -38.417 1.00 24.40 H new ATOM 0 HG2 ARG A 117 27.592 13.521 -38.898 1.00 3.30 H new ATOM 0 HG3 ARG A 117 28.238 12.528 -37.607 1.00 3.30 H new ATOM 0 HD2 ARG A 117 29.253 11.056 -39.496 1.00 34.14 H new ATOM 0 HD3 ARG A 117 28.879 12.391 -40.568 1.00 34.14 H new ATOM 0 HE ARG A 117 31.065 12.251 -38.684 1.00 31.52 H new ATOM 0 HH11 ARG A 117 28.741 14.459 -40.161 1.00 32.32 H new ATOM 0 HH12 ARG A 117 29.790 15.869 -39.978 1.00 32.32 H new ATOM 0 HH21 ARG A 117 32.406 14.066 -38.451 1.00 55.12 H new ATOM 0 HH22 ARG A 117 31.857 15.648 -39.013 1.00 55.12 H new