USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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: C 15 THR OG1 : rot 80:sc= 1.19 USER MOD Set 1.2: D 17 HIS : no HE2:sc= -0.145 K(o=1,f=-4.8!) USER MOD Set 2.1: B 12 TYR OH : rot 70:sc= 0 USER MOD Set 2.2: C 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0366) USER MOD Set 3.1: A 15 THR OG1 : rot -71:sc= 0.943 USER MOD Set 3.2: B 17 HIS : no HE2:sc= -0.155 K(o=0.79,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0.837 (180deg=0.809) USER MOD Single : B 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : B 15 GLN : amide:sc= 1.5 K(o=1.5,f=-6.7!) USER MOD Single : B 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00217) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 0.56 K(o=0.56,f=-0.0084) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -179:sc= 0.825 (180deg=0.825) USER MOD Single : D 12 TYR OH : rot 180:sc= 0 USER MOD Single : D 15 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : D 19 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : D 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0607) USER MOD Single : D 22 ASN : amide:sc= 0.0248 X(o=0.025,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.166 6.888 7.054 1.00 10.00 N ATOM 88 CA PRO A 6 -4.531 7.091 6.584 1.00 10.00 C ATOM 89 C PRO A 6 -5.459 5.958 7.054 1.00 10.00 C ATOM 90 O PRO A 6 -4.997 4.839 7.283 1.00 10.00 O ATOM 91 CB PRO A 6 -4.406 7.094 5.057 1.00 10.00 C ATOM 92 CG PRO A 6 -3.289 6.080 4.815 1.00 10.00 C ATOM 93 CD PRO A 6 -2.342 6.337 5.988 1.00 10.00 C ATOM 0 HA PRO A 6 -4.968 8.011 6.972 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.336 6.796 4.573 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.148 8.081 4.673 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.664 5.057 4.814 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.798 6.240 3.855 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.856 5.415 6.307 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.551 7.033 5.706 1.00 10.00 H new ATOM 101 N PRO A 7 -6.782 6.191 7.126 1.00 10.00 N ATOM 102 CA PRO A 7 -7.754 5.148 7.445 1.00 10.00 C ATOM 103 C PRO A 7 -7.708 3.998 6.425 1.00 10.00 C ATOM 104 O PRO A 7 -8.002 2.853 6.760 1.00 10.00 O ATOM 105 CB PRO A 7 -9.112 5.854 7.473 1.00 10.00 C ATOM 106 CG PRO A 7 -8.916 7.034 6.523 1.00 10.00 C ATOM 107 CD PRO A 7 -7.460 7.427 6.770 1.00 10.00 C ATOM 0 HA PRO A 7 -7.541 4.674 8.403 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.914 5.196 7.137 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.372 6.186 8.478 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.088 6.751 5.485 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.600 7.852 6.748 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.018 7.876 5.880 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.382 8.163 7.570 1.00 10.00 H new ATOM 115 N GLY A 8 -7.277 4.287 5.190 1.00 10.00 N ATOM 116 CA GLY A 8 -6.927 3.282 4.189 1.00 10.00 C ATOM 117 C GLY A 8 -6.029 2.164 4.739 1.00 10.00 C ATOM 118 O GLY A 8 -6.217 1.001 4.391 1.00 10.00 O ATOM 0 H GLY A 8 -7.161 5.244 4.857 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.841 2.842 3.791 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.420 3.770 3.357 1.00 10.00 H new ATOM 122 N PHE A 9 -5.076 2.491 5.622 1.00 10.00 N ATOM 123 CA PHE A 9 -4.270 1.478 6.304 1.00 10.00 C ATOM 124 C PHE A 9 -5.150 0.565 7.168 1.00 10.00 C ATOM 125 O PHE A 9 -5.106 -0.653 7.034 1.00 10.00 O ATOM 126 CB PHE A 9 -3.179 2.151 7.141 1.00 10.00 C ATOM 127 CG PHE A 9 -2.423 1.205 8.053 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.701 0.127 7.508 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.516 1.347 9.450 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.055 -0.789 8.356 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.863 0.438 10.298 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.142 -0.638 9.752 1.00 10.00 C ATOM 0 H PHE A 9 -4.847 3.451 5.879 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.789 0.851 5.553 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.470 2.636 6.470 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.633 2.936 7.746 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.643 0.003 6.437 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.092 2.158 9.871 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.492 -1.609 7.936 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.915 0.566 11.369 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.655 -1.348 10.404 1.00 10.00 H new ATOM 142 N THR A 10 -5.981 1.147 8.036 1.00 10.00 N ATOM 143 CA THR A 10 -6.923 0.404 8.871 1.00 10.00 C ATOM 144 C THR A 10 -7.840 -0.500 8.031 1.00 10.00 C ATOM 145 O THR A 10 -8.029 -1.673 8.346 1.00 10.00 O ATOM 146 CB THR A 10 -7.738 1.391 9.720 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.874 2.354 10.289 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.476 0.679 10.856 1.00 10.00 C ATOM 0 H THR A 10 -6.018 2.156 8.179 1.00 10.00 H new ATOM 0 HA THR A 10 -6.359 -0.254 9.532 1.00 10.00 H new ATOM 0 HB THR A 10 -8.469 1.864 9.064 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.396 2.984 10.829 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.042 1.408 11.436 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.158 -0.061 10.439 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.754 0.182 11.504 1.00 10.00 H new ATOM 156 N ALA A 11 -8.394 0.036 6.940 1.00 10.00 N ATOM 157 CA ALA A 11 -9.227 -0.719 6.006 1.00 10.00 C ATOM 158 C ALA A 11 -8.450 -1.853 5.305 1.00 10.00 C ATOM 159 O ALA A 11 -8.937 -2.983 5.206 1.00 10.00 O ATOM 160 CB ALA A 11 -9.859 0.261 5.019 1.00 10.00 C ATOM 0 H ALA A 11 -8.275 1.015 6.680 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.018 -1.226 6.559 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.485 -0.286 4.314 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.470 0.982 5.563 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.074 0.787 4.476 1.00 10.00 H new ATOM 166 N LEU A 12 -7.219 -1.581 4.856 1.00 10.00 N ATOM 167 CA LEU A 12 -6.306 -2.609 4.358 1.00 10.00 C ATOM 168 C LEU A 12 -6.089 -3.707 5.405 1.00 10.00 C ATOM 169 O LEU A 12 -6.253 -4.880 5.098 1.00 10.00 O ATOM 170 CB LEU A 12 -4.990 -1.978 3.883 1.00 10.00 C ATOM 171 CG LEU A 12 -4.004 -3.010 3.303 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.133 -2.333 2.244 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.065 -3.605 4.365 1.00 10.00 C ATOM 0 H LEU A 12 -6.830 -0.639 4.829 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.760 -3.091 3.492 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.207 -1.225 3.125 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.518 -1.462 4.719 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.606 -3.818 2.886 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.433 -3.059 1.830 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.766 -1.944 1.447 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.578 -1.513 2.699 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.394 -4.325 3.896 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.479 -2.807 4.821 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.655 -4.106 5.133 1.00 10.00 H new ATOM 185 N ILE A 13 -5.746 -3.351 6.647 1.00 10.00 N ATOM 186 CA ILE A 13 -5.596 -4.311 7.742 1.00 10.00 C ATOM 187 C ILE A 13 -6.873 -5.139 7.939 1.00 10.00 C ATOM 188 O ILE A 13 -6.813 -6.365 7.983 1.00 10.00 O ATOM 189 CB ILE A 13 -5.166 -3.588 9.033 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.722 -3.053 8.948 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.348 -4.472 10.275 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.633 -4.134 8.913 1.00 10.00 C ATOM 0 H ILE A 13 -5.564 -2.385 6.921 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.807 -5.016 7.479 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.829 -2.729 9.136 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.631 -2.437 8.054 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.540 -2.402 9.803 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.033 -3.923 11.162 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.398 -4.749 10.374 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.743 -5.373 10.172 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.653 -3.661 8.853 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.690 -4.737 9.819 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.782 -4.772 8.042 1.00 10.00 H new ATOM 204 N LYS A 14 -8.036 -4.489 8.046 1.00 10.00 N ATOM 205 CA LYS A 14 -9.316 -5.176 8.190 1.00 10.00 C ATOM 206 C LYS A 14 -9.530 -6.205 7.067 1.00 10.00 C ATOM 207 O LYS A 14 -9.746 -7.389 7.329 1.00 10.00 O ATOM 208 CB LYS A 14 -10.438 -4.131 8.250 1.00 10.00 C ATOM 209 CG LYS A 14 -11.795 -4.766 8.583 1.00 10.00 C ATOM 210 CD LYS A 14 -12.933 -3.734 8.562 1.00 10.00 C ATOM 211 CE LYS A 14 -12.781 -2.678 9.664 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.964 -1.804 9.723 1.00 10.00 N ATOM 0 H LYS A 14 -8.113 -3.472 8.035 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.324 -5.744 9.120 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.195 -3.380 9.001 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.504 -3.614 7.293 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -12.010 -5.558 7.866 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.746 -5.232 9.567 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.956 -3.241 7.590 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -13.888 -4.246 8.682 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.639 -3.169 10.627 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.890 -2.078 9.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -13.837 -1.098 10.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.083 -1.319 8.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -14.809 -2.376 9.924 1.00 10.00 H new ATOM 226 N THR A 15 -9.449 -5.763 5.809 1.00 10.00 N ATOM 227 CA THR A 15 -9.587 -6.655 4.655 1.00 10.00 C ATOM 228 C THR A 15 -8.529 -7.767 4.634 1.00 10.00 C ATOM 229 O THR A 15 -8.865 -8.928 4.417 1.00 10.00 O ATOM 230 CB THR A 15 -9.633 -5.873 3.336 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.577 -4.945 3.221 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.955 -5.117 3.201 1.00 10.00 C ATOM 0 H THR A 15 -9.287 -4.786 5.563 1.00 10.00 H new ATOM 0 HA THR A 15 -10.548 -7.158 4.764 1.00 10.00 H new ATOM 0 HB THR A 15 -9.534 -6.613 2.542 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.721 -4.206 3.848 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.966 -4.569 2.259 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.783 -5.826 3.219 1.00 10.00 H new ATOM 0 HG23 THR A 15 -11.060 -4.416 4.029 1.00 10.00 H new ATOM 240 N LEU A 16 -7.264 -7.448 4.915 1.00 10.00 N ATOM 241 CA LEU A 16 -6.182 -8.419 5.084 1.00 10.00 C ATOM 242 C LEU A 16 -6.536 -9.493 6.119 1.00 10.00 C ATOM 243 O LEU A 16 -6.400 -10.684 5.842 1.00 10.00 O ATOM 244 CB LEU A 16 -4.884 -7.670 5.429 1.00 10.00 C ATOM 245 CG LEU A 16 -3.640 -8.561 5.595 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.393 -7.768 5.182 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.449 -9.017 7.050 1.00 10.00 C ATOM 0 H LEU A 16 -6.956 -6.483 5.034 1.00 10.00 H new ATOM 0 HA LEU A 16 -6.031 -8.956 4.148 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.686 -6.939 4.646 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -5.039 -7.113 6.353 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.782 -9.441 4.967 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.509 -8.395 5.298 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.486 -7.460 4.141 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.297 -6.885 5.814 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.560 -9.643 7.121 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.331 -8.144 7.692 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -4.321 -9.587 7.370 1.00 10.00 H new ATOM 259 N ARG A 17 -7.010 -9.095 7.301 1.00 10.00 N ATOM 260 CA ARG A 17 -7.470 -10.041 8.315 1.00 10.00 C ATOM 261 C ARG A 17 -8.651 -10.884 7.817 1.00 10.00 C ATOM 262 O ARG A 17 -8.624 -12.104 7.947 1.00 10.00 O ATOM 263 CB ARG A 17 -7.797 -9.309 9.624 1.00 10.00 C ATOM 264 CG ARG A 17 -6.552 -8.766 10.348 1.00 10.00 C ATOM 265 CD ARG A 17 -5.525 -9.848 10.716 1.00 10.00 C ATOM 266 NE ARG A 17 -6.156 -11.027 11.331 1.00 10.00 N ATOM 267 CZ ARG A 17 -6.573 -11.134 12.596 1.00 10.00 C ATOM 268 NH1 ARG A 17 -6.448 -10.123 13.452 1.00 10.00 N ATOM 269 NH2 ARG A 17 -7.124 -12.272 13.002 1.00 10.00 N ATOM 0 H ARG A 17 -7.085 -8.117 7.579 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.658 -10.740 8.517 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -8.473 -8.482 9.410 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.327 -9.990 10.290 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -6.070 -8.022 9.713 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -6.867 -8.253 11.257 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -4.984 -10.153 9.820 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -4.791 -9.430 11.405 1.00 10.00 H new ATOM 0 HE ARG A 17 -6.288 -11.843 10.733 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -6.027 -9.245 13.147 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -6.773 -10.226 14.413 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -7.225 -13.051 12.351 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -7.447 -12.367 13.965 1.00 10.00 H new ATOM 283 N LYS A 18 -9.675 -10.270 7.215 1.00 10.00 N ATOM 284 CA LYS A 18 -10.784 -11.024 6.621 1.00 10.00 C ATOM 285 C LYS A 18 -10.305 -12.046 5.571 1.00 10.00 C ATOM 286 O LYS A 18 -10.772 -13.180 5.552 1.00 10.00 O ATOM 287 CB LYS A 18 -11.824 -10.064 6.026 1.00 10.00 C ATOM 288 CG LYS A 18 -12.550 -9.207 7.075 1.00 10.00 C ATOM 289 CD LYS A 18 -13.512 -10.037 7.938 1.00 10.00 C ATOM 290 CE LYS A 18 -14.305 -9.115 8.868 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.215 -9.891 9.729 1.00 10.00 N ATOM 0 H LYS A 18 -9.759 -9.257 7.126 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.253 -11.598 7.420 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.330 -9.406 5.312 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -12.562 -10.642 5.469 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -11.815 -8.722 7.717 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -13.106 -8.415 6.573 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -14.194 -10.599 7.300 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -12.952 -10.765 8.525 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -13.618 -8.537 9.486 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.878 -8.401 8.276 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.741 -9.244 10.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -15.884 -10.423 9.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.663 -10.555 10.309 1.00 10.00 H new ATOM 305 N CYS A 19 -9.363 -11.654 4.709 1.00 10.00 N ATOM 306 CA CYS A 19 -8.745 -12.509 3.700 1.00 10.00 C ATOM 307 C CYS A 19 -7.955 -13.675 4.317 1.00 10.00 C ATOM 308 O CYS A 19 -8.203 -14.837 4.004 1.00 10.00 O ATOM 309 CB CYS A 19 -7.836 -11.637 2.827 1.00 10.00 C ATOM 310 SG CYS A 19 -6.844 -12.509 1.593 1.00 10.00 S ATOM 0 H CYS A 19 -9.000 -10.701 4.696 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.531 -12.965 3.099 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.456 -10.903 2.312 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.162 -11.083 3.480 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.127 -11.652 0.928 1.00 10.00 H new ATOM 315 N LYS A 20 -6.973 -13.358 5.165 1.00 10.00 N ATOM 316 CA LYS A 20 -5.982 -14.308 5.670 1.00 10.00 C ATOM 317 C LYS A 20 -6.434 -15.060 6.934 1.00 10.00 C ATOM 318 O LYS A 20 -5.855 -16.094 7.268 1.00 10.00 O ATOM 319 CB LYS A 20 -4.666 -13.544 5.885 1.00 10.00 C ATOM 320 CG LYS A 20 -3.507 -14.463 6.303 1.00 10.00 C ATOM 321 CD LYS A 20 -2.137 -13.838 5.994 1.00 10.00 C ATOM 322 CE LYS A 20 -1.925 -12.472 6.655 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.960 -12.559 8.125 1.00 10.00 N ATOM 0 H LYS A 20 -6.843 -12.413 5.527 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.844 -15.097 4.931 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.398 -13.024 4.965 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.814 -12.782 6.650 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -3.577 -14.673 7.370 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.596 -15.417 5.784 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -1.353 -14.519 6.326 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.031 -13.731 4.915 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -0.966 -12.061 6.339 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.696 -11.781 6.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -1.696 -11.640 8.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.920 -12.813 8.435 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -1.289 -13.286 8.446 1.00 10.00 H new ATOM 337 N ILE A 21 -7.437 -14.547 7.656 1.00 10.00 N ATOM 338 CA ILE A 21 -7.960 -15.074 8.922 1.00 10.00 C ATOM 339 C ILE A 21 -6.958 -14.878 10.070 1.00 10.00 C ATOM 340 O ILE A 21 -7.248 -14.188 11.045 1.00 10.00 O ATOM 341 CB ILE A 21 -8.453 -16.532 8.790 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.378 -16.751 7.575 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.155 -16.973 10.083 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.642 -15.886 7.574 1.00 10.00 C ATOM 0 H ILE A 21 -7.933 -13.707 7.356 1.00 10.00 H new ATOM 0 HA ILE A 21 -8.843 -14.489 9.179 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.570 -17.148 8.623 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.814 -16.549 6.664 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.671 -17.800 7.542 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.498 -18.002 9.978 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -8.456 -16.907 10.917 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.009 -16.323 10.273 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -11.232 -16.106 6.685 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.232 -16.103 8.464 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.362 -14.833 7.573 1.00 10.00 H new ATOM 356 N ILE A 22 -5.764 -15.460 9.950 1.00 10.00 N ATOM 357 CA ILE A 22 -4.654 -15.253 10.879 1.00 10.00 C ATOM 358 C ILE A 22 -4.219 -13.777 10.882 1.00 10.00 C ATOM 359 O ILE A 22 -3.906 -13.276 11.984 1.00 10.00 O ATOM 360 CB ILE A 22 -3.492 -16.203 10.515 1.00 10.00 C ATOM 361 CG1 ILE A 22 -3.961 -17.669 10.605 1.00 10.00 C ATOM 362 CG2 ILE A 22 -2.284 -15.969 11.436 1.00 10.00 C ATOM 363 CD1 ILE A 22 -2.903 -18.676 10.145 1.00 10.00 C ATOM 364 OXT ILE A 22 -4.194 -13.180 9.782 1.00 10.00 O ATOM 0 H ILE A 22 -5.538 -16.101 9.189 1.00 10.00 H new ATOM 0 HA ILE A 22 -4.976 -15.489 11.893 1.00 10.00 H new ATOM 0 HB ILE A 22 -3.182 -15.993 9.491 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -4.239 -17.891 11.635 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -4.858 -17.793 9.999 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.479 -16.650 11.160 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.941 -14.940 11.332 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.575 -16.151 12.471 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -3.300 -19.687 10.235 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.642 -18.480 9.105 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.013 -18.579 10.767 1.00 10.00 H new ATOM 465 N ILE B 7 2.097 9.626 -4.773 1.00 10.00 N ATOM 466 CA ILE B 7 1.167 9.061 -5.757 1.00 10.00 C ATOM 467 C ILE B 7 1.390 7.553 -5.971 1.00 10.00 C ATOM 468 O ILE B 7 0.433 6.779 -6.001 1.00 10.00 O ATOM 469 CB ILE B 7 1.167 9.858 -7.077 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.517 9.790 -7.815 1.00 10.00 C ATOM 471 CG2 ILE B 7 0.716 11.302 -6.809 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.548 10.639 -9.088 1.00 10.00 C ATOM 0 HA ILE B 7 0.165 9.161 -5.340 1.00 10.00 H new ATOM 0 HB ILE B 7 0.451 9.393 -7.754 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.309 10.123 -7.144 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.732 8.753 -8.072 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.717 11.863 -7.744 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -0.290 11.297 -6.390 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.401 11.772 -6.103 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.525 10.549 -9.562 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.778 10.291 -9.776 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.363 11.683 -8.834 1.00 10.00 H new ATOM 484 N GLU B 8 2.648 7.112 -6.069 1.00 10.00 N ATOM 485 CA GLU B 8 2.970 5.697 -6.206 1.00 10.00 C ATOM 486 C GLU B 8 2.607 4.918 -4.932 1.00 10.00 C ATOM 487 O GLU B 8 2.050 3.829 -5.011 1.00 10.00 O ATOM 488 CB GLU B 8 4.444 5.538 -6.605 1.00 10.00 C ATOM 489 CG GLU B 8 4.836 4.065 -6.824 1.00 10.00 C ATOM 490 CD GLU B 8 3.944 3.342 -7.834 1.00 10.00 C ATOM 491 OE1 GLU B 8 3.762 3.902 -8.936 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.457 2.246 -7.481 1.00 10.00 O ATOM 0 H GLU B 8 3.463 7.725 -6.055 1.00 10.00 H new ATOM 0 HA GLU B 8 2.366 5.264 -7.003 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.633 6.101 -7.519 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.076 5.968 -5.828 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.870 4.019 -7.166 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.792 3.539 -5.870 1.00 10.00 H new ATOM 499 N ALA B 9 2.878 5.486 -3.755 1.00 10.00 N ATOM 500 CA ALA B 9 2.466 4.922 -2.474 1.00 10.00 C ATOM 501 C ALA B 9 0.940 4.733 -2.405 1.00 10.00 C ATOM 502 O ALA B 9 0.465 3.675 -1.994 1.00 10.00 O ATOM 503 CB ALA B 9 2.999 5.802 -1.340 1.00 10.00 C ATOM 0 H ALA B 9 3.396 6.360 -3.667 1.00 10.00 H new ATOM 0 HA ALA B 9 2.895 3.926 -2.364 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.693 5.384 -0.381 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.087 5.839 -1.389 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.596 6.810 -1.442 1.00 10.00 H new ATOM 509 N ARG B 10 0.166 5.729 -2.854 1.00 10.00 N ATOM 510 CA ARG B 10 -1.279 5.597 -3.031 1.00 10.00 C ATOM 511 C ARG B 10 -1.651 4.470 -4.007 1.00 10.00 C ATOM 512 O ARG B 10 -2.481 3.628 -3.672 1.00 10.00 O ATOM 513 CB ARG B 10 -1.907 6.931 -3.461 1.00 10.00 C ATOM 514 CG ARG B 10 -2.045 7.900 -2.282 1.00 10.00 C ATOM 515 CD ARG B 10 -2.844 9.135 -2.715 1.00 10.00 C ATOM 516 NE ARG B 10 -3.302 9.924 -1.559 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.335 9.616 -0.767 1.00 10.00 C ATOM 518 NH1 ARG B 10 -4.991 8.466 -0.899 1.00 10.00 N ATOM 519 NH2 ARG B 10 -4.721 10.484 0.161 1.00 10.00 N ATOM 0 H ARG B 10 0.528 6.649 -3.104 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.692 5.321 -2.060 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.294 7.388 -4.238 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.889 6.747 -3.897 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -2.545 7.405 -1.450 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -1.058 8.200 -1.928 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.226 9.760 -3.359 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.705 8.822 -3.305 1.00 10.00 H new ATOM 0 HE ARG B 10 -2.788 10.778 -1.344 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -4.709 7.797 -1.616 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -5.776 8.253 -0.283 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -4.231 11.373 0.263 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -5.507 10.262 0.772 1.00 10.00 H new ATOM 533 N LYS B 11 -1.056 4.431 -5.206 1.00 10.00 N ATOM 534 CA LYS B 11 -1.296 3.335 -6.152 1.00 10.00 C ATOM 535 C LYS B 11 -1.035 1.965 -5.503 1.00 10.00 C ATOM 536 O LYS B 11 -1.919 1.112 -5.477 1.00 10.00 O ATOM 537 CB LYS B 11 -0.449 3.518 -7.420 1.00 10.00 C ATOM 538 CG LYS B 11 -0.928 4.704 -8.265 1.00 10.00 C ATOM 539 CD LYS B 11 0.021 4.907 -9.454 1.00 10.00 C ATOM 540 CE LYS B 11 -0.311 6.190 -10.226 1.00 10.00 C ATOM 541 NZ LYS B 11 -1.652 6.131 -10.834 1.00 10.00 N ATOM 0 H LYS B 11 -0.408 5.143 -5.543 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.347 3.364 -6.438 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.594 3.670 -7.141 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.490 2.607 -8.018 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.941 4.523 -8.623 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -0.962 5.607 -7.656 1.00 10.00 H new ATOM 0 HD2 LYS B 11 1.050 4.952 -9.096 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.046 4.050 -10.124 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -0.255 7.045 -9.552 1.00 10.00 H new ATOM 0 HE3 LYS B 11 0.435 6.349 -11.005 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -1.807 6.979 -11.416 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -1.726 5.283 -11.431 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -2.372 6.090 -10.084 1.00 10.00 H new ATOM 555 N TYR B 12 0.166 1.761 -4.962 1.00 10.00 N ATOM 556 CA TYR B 12 0.578 0.589 -4.191 1.00 10.00 C ATOM 557 C TYR B 12 -0.459 0.206 -3.117 1.00 10.00 C ATOM 558 O TYR B 12 -0.983 -0.910 -3.126 1.00 10.00 O ATOM 559 CB TYR B 12 1.960 0.913 -3.604 1.00 10.00 C ATOM 560 CG TYR B 12 2.510 -0.046 -2.569 1.00 10.00 C ATOM 561 CD1 TYR B 12 3.090 -1.262 -2.974 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.624 0.371 -1.230 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.802 -2.045 -2.047 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.310 -0.427 -0.299 1.00 10.00 C ATOM 565 CZ TYR B 12 3.922 -1.617 -0.715 1.00 10.00 C ATOM 566 OH TYR B 12 4.662 -2.340 0.167 1.00 10.00 O ATOM 0 H TYR B 12 0.917 2.445 -5.055 1.00 10.00 H new ATOM 0 HA TYR B 12 0.641 -0.293 -4.828 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.673 0.969 -4.427 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.913 1.905 -3.155 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.989 -1.594 -3.997 1.00 10.00 H new ATOM 0 HD2 TYR B 12 2.183 1.306 -0.917 1.00 10.00 H new ATOM 0 HE1 TYR B 12 4.256 -2.974 -2.359 1.00 10.00 H new ATOM 0 HE2 TYR B 12 3.366 -0.124 0.736 1.00 10.00 H new ATOM 0 HH TYR B 12 5.612 -2.261 -0.061 1.00 10.00 H new ATOM 576 N LEU B 13 -0.783 1.144 -2.219 1.00 10.00 N ATOM 577 CA LEU B 13 -1.830 0.991 -1.209 1.00 10.00 C ATOM 578 C LEU B 13 -3.150 0.499 -1.823 1.00 10.00 C ATOM 579 O LEU B 13 -3.694 -0.509 -1.380 1.00 10.00 O ATOM 580 CB LEU B 13 -2.002 2.325 -0.459 1.00 10.00 C ATOM 581 CG LEU B 13 -3.180 2.378 0.529 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.057 1.328 1.637 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.238 3.769 1.168 1.00 10.00 C ATOM 0 H LEU B 13 -0.313 2.048 -2.176 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.529 0.223 -0.497 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.082 2.537 0.086 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.129 3.121 -1.192 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.090 2.166 -0.032 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.912 1.406 2.309 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.033 0.332 1.194 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.138 1.497 2.198 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.071 3.813 1.869 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.306 3.965 1.699 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.378 4.521 0.391 1.00 10.00 H new ATOM 595 N GLU B 14 -3.665 1.193 -2.843 1.00 10.00 N ATOM 596 CA GLU B 14 -4.932 0.850 -3.486 1.00 10.00 C ATOM 597 C GLU B 14 -4.891 -0.560 -4.105 1.00 10.00 C ATOM 598 O GLU B 14 -5.779 -1.372 -3.850 1.00 10.00 O ATOM 599 CB GLU B 14 -5.291 1.943 -4.507 1.00 10.00 C ATOM 600 CG GLU B 14 -6.809 2.090 -4.716 1.00 10.00 C ATOM 601 CD GLU B 14 -7.500 0.829 -5.230 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.007 0.283 -6.240 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.513 0.442 -4.610 1.00 10.00 O ATOM 0 H GLU B 14 -3.210 2.012 -3.246 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.723 0.814 -2.737 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -4.881 2.896 -4.171 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.818 1.711 -5.461 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.267 2.381 -3.771 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -6.990 2.902 -5.421 1.00 10.00 H new ATOM 610 N GLN B 15 -3.849 -0.858 -4.892 1.00 10.00 N ATOM 611 CA GLN B 15 -3.588 -2.183 -5.458 1.00 10.00 C ATOM 612 C GLN B 15 -3.690 -3.264 -4.370 1.00 10.00 C ATOM 613 O GLN B 15 -4.546 -4.148 -4.439 1.00 10.00 O ATOM 614 CB GLN B 15 -2.197 -2.210 -6.130 1.00 10.00 C ATOM 615 CG GLN B 15 -2.219 -2.274 -7.669 1.00 10.00 C ATOM 616 CD GLN B 15 -2.912 -1.119 -8.385 1.00 10.00 C ATOM 617 OE1 GLN B 15 -3.541 -1.312 -9.419 1.00 10.00 O ATOM 618 NE2 GLN B 15 -2.842 0.099 -7.875 1.00 10.00 N ATOM 0 H GLN B 15 -3.149 -0.166 -5.158 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.342 -2.395 -6.216 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -1.646 -1.320 -5.826 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.645 -3.071 -5.753 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -1.190 -2.328 -8.024 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.707 -3.202 -7.966 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -2.319 0.262 -7.015 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -3.311 0.875 -8.342 1.00 10.00 H new ATOM 627 N LEU B 16 -2.825 -3.176 -3.351 1.00 10.00 N ATOM 628 CA LEU B 16 -2.827 -4.112 -2.230 1.00 10.00 C ATOM 629 C LEU B 16 -4.222 -4.220 -1.604 1.00 10.00 C ATOM 630 O LEU B 16 -4.785 -5.309 -1.511 1.00 10.00 O ATOM 631 CB LEU B 16 -1.797 -3.676 -1.178 1.00 10.00 C ATOM 632 CG LEU B 16 -0.337 -3.826 -1.629 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.562 -3.108 -0.616 1.00 10.00 C ATOM 634 CD2 LEU B 16 0.088 -5.298 -1.713 1.00 10.00 C ATOM 0 H LEU B 16 -2.108 -2.454 -3.285 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.553 -5.098 -2.606 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.980 -2.634 -0.917 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -1.948 -4.263 -0.272 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.240 -3.391 -2.624 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.604 -3.205 -0.921 1.00 10.00 H new ATOM 0 HD12 LEU B 16 0.293 -2.053 -0.574 1.00 10.00 H new ATOM 0 HD13 LEU B 16 0.430 -3.555 0.369 1.00 10.00 H new ATOM 0 HD21 LEU B 16 1.127 -5.359 -2.036 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.015 -5.763 -0.733 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.546 -5.819 -2.431 1.00 10.00 H new ATOM 646 N HIS B 17 -4.788 -3.086 -1.186 1.00 10.00 N ATOM 647 CA HIS B 17 -6.079 -3.037 -0.517 1.00 10.00 C ATOM 648 C HIS B 17 -7.189 -3.712 -1.331 1.00 10.00 C ATOM 649 O HIS B 17 -7.950 -4.496 -0.766 1.00 10.00 O ATOM 650 CB HIS B 17 -6.434 -1.587 -0.173 1.00 10.00 C ATOM 651 CG HIS B 17 -7.621 -1.457 0.747 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.466 -2.469 1.154 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.049 -0.298 1.335 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.389 -1.920 1.960 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.180 -0.602 2.095 1.00 10.00 N ATOM 0 H HIS B 17 -4.355 -2.170 -1.306 1.00 10.00 H new ATOM 0 HA HIS B 17 -5.996 -3.608 0.408 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.571 -1.111 0.292 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.639 -1.044 -1.095 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.401 -3.452 0.891 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -7.594 0.676 1.230 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.191 -2.466 2.435 1.00 10.00 H new ATOM 663 N ARG B 18 -7.310 -3.420 -2.632 1.00 10.00 N ATOM 664 CA ARG B 18 -8.367 -4.025 -3.438 1.00 10.00 C ATOM 665 C ARG B 18 -8.165 -5.533 -3.637 1.00 10.00 C ATOM 666 O ARG B 18 -9.140 -6.280 -3.584 1.00 10.00 O ATOM 667 CB ARG B 18 -8.652 -3.251 -4.733 1.00 10.00 C ATOM 668 CG ARG B 18 -7.701 -3.525 -5.902 1.00 10.00 C ATOM 669 CD ARG B 18 -8.295 -2.927 -7.182 1.00 10.00 C ATOM 670 NE ARG B 18 -7.462 -3.241 -8.351 1.00 10.00 N ATOM 671 CZ ARG B 18 -6.422 -2.523 -8.783 1.00 10.00 C ATOM 672 NH1 ARG B 18 -6.044 -1.402 -8.181 1.00 10.00 N ATOM 673 NH2 ARG B 18 -5.727 -2.919 -9.842 1.00 10.00 N ATOM 0 H ARG B 18 -6.699 -2.779 -3.138 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.287 -3.937 -2.860 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -9.667 -3.482 -5.055 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -8.623 -2.185 -4.509 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -6.723 -3.088 -5.701 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -7.552 -4.598 -6.022 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.302 -3.315 -7.335 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.383 -1.846 -7.075 1.00 10.00 H new ATOM 0 HE ARG B 18 -7.699 -4.081 -8.879 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -6.553 -1.066 -7.363 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -5.245 -0.877 -8.536 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -5.986 -3.776 -10.331 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -4.934 -2.366 -10.167 1.00 10.00 H new ATOM 687 N LYS B 19 -6.924 -6.011 -3.809 1.00 10.00 N ATOM 688 CA LYS B 19 -6.662 -7.454 -3.794 1.00 10.00 C ATOM 689 C LYS B 19 -7.082 -8.070 -2.448 1.00 10.00 C ATOM 690 O LYS B 19 -7.873 -9.012 -2.404 1.00 10.00 O ATOM 691 CB LYS B 19 -5.183 -7.760 -4.097 1.00 10.00 C ATOM 692 CG LYS B 19 -4.893 -7.955 -5.593 1.00 10.00 C ATOM 693 CD LYS B 19 -4.863 -6.629 -6.356 1.00 10.00 C ATOM 694 CE LYS B 19 -4.671 -6.879 -7.853 1.00 10.00 C ATOM 695 NZ LYS B 19 -4.595 -5.603 -8.584 1.00 10.00 N ATOM 0 H LYS B 19 -6.100 -5.429 -3.958 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.262 -7.908 -4.582 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.566 -6.945 -3.718 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.888 -8.660 -3.557 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -3.935 -8.462 -5.712 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.654 -8.604 -6.027 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -5.792 -6.084 -6.188 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -4.054 -6.003 -5.979 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -3.760 -7.454 -8.018 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -5.498 -7.476 -8.237 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -4.499 -5.791 -9.602 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -5.461 -5.053 -8.414 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -3.771 -5.062 -8.253 1.00 10.00 H new ATOM 709 N LEU B 20 -6.564 -7.522 -1.343 1.00 10.00 N ATOM 710 CA LEU B 20 -6.858 -7.981 0.014 1.00 10.00 C ATOM 711 C LEU B 20 -8.363 -7.938 0.330 1.00 10.00 C ATOM 712 O LEU B 20 -8.872 -8.801 1.038 1.00 10.00 O ATOM 713 CB LEU B 20 -6.031 -7.165 1.018 1.00 10.00 C ATOM 714 CG LEU B 20 -4.517 -7.415 0.871 1.00 10.00 C ATOM 715 CD1 LEU B 20 -3.733 -6.282 1.540 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.094 -8.752 1.491 1.00 10.00 C ATOM 0 H LEU B 20 -5.918 -6.733 -1.370 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.571 -9.029 0.096 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.237 -6.104 0.877 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.342 -7.418 2.032 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.296 -7.449 -0.196 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -2.664 -6.466 1.432 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -3.988 -5.334 1.066 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -3.988 -6.239 2.599 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.020 -8.888 1.365 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.338 -8.754 2.553 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.623 -9.566 0.996 1.00 10.00 H new ATOM 728 N LYS B 21 -9.097 -6.967 -0.219 1.00 10.00 N ATOM 729 CA LYS B 21 -10.557 -6.973 -0.225 1.00 10.00 C ATOM 730 C LYS B 21 -11.096 -8.153 -1.055 1.00 10.00 C ATOM 731 O LYS B 21 -11.636 -9.112 -0.500 1.00 10.00 O ATOM 732 CB LYS B 21 -11.051 -5.608 -0.730 1.00 10.00 C ATOM 733 CG LYS B 21 -12.575 -5.460 -0.644 1.00 10.00 C ATOM 734 CD LYS B 21 -13.048 -4.092 -1.155 1.00 10.00 C ATOM 735 CE LYS B 21 -12.917 -3.973 -2.678 1.00 10.00 C ATOM 736 NZ LYS B 21 -13.491 -2.704 -3.160 1.00 10.00 N ATOM 0 H LYS B 21 -8.690 -6.150 -0.674 1.00 10.00 H new ATOM 0 HA LYS B 21 -10.941 -7.120 0.784 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.580 -4.817 -0.146 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.735 -5.472 -1.764 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.050 -6.249 -1.227 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.895 -5.592 0.390 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -14.088 -3.937 -0.867 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.464 -3.305 -0.678 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -11.866 -4.032 -2.962 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -13.424 -4.811 -3.157 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -13.390 -2.648 -4.194 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.499 -2.661 -2.908 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -12.990 -1.907 -2.719 1.00 10.00 H new ATOM 750 N ASN B 22 -10.936 -8.087 -2.383 1.00 10.00 N ATOM 751 CA ASN B 22 -11.527 -9.005 -3.360 1.00 10.00 C ATOM 752 C ASN B 22 -11.236 -10.482 -3.051 1.00 10.00 C ATOM 753 O ASN B 22 -12.050 -11.343 -3.377 1.00 10.00 O ATOM 754 CB ASN B 22 -11.054 -8.614 -4.770 1.00 10.00 C ATOM 755 CG ASN B 22 -11.985 -9.045 -5.905 1.00 10.00 C ATOM 756 OD1 ASN B 22 -12.191 -8.297 -6.852 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.570 -10.234 -5.863 1.00 10.00 N ATOM 0 H ASN B 22 -10.368 -7.362 -2.822 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.611 -8.908 -3.301 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.934 -7.531 -4.810 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.070 -9.051 -4.941 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -13.190 -10.524 -6.619 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.400 -10.859 -5.075 1.00 10.00 H new ATOM 914 N PRO C 7 5.949 6.071 4.884 1.00 10.00 N ATOM 915 CA PRO C 7 6.807 4.936 4.557 1.00 10.00 C ATOM 916 C PRO C 7 6.698 3.787 5.562 1.00 10.00 C ATOM 917 O PRO C 7 6.860 2.632 5.178 1.00 10.00 O ATOM 918 CB PRO C 7 8.230 5.498 4.455 1.00 10.00 C ATOM 919 CG PRO C 7 8.176 6.770 5.300 1.00 10.00 C ATOM 920 CD PRO C 7 6.753 7.267 5.053 1.00 10.00 C ATOM 0 HA PRO C 7 6.496 4.482 3.616 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.968 4.793 4.838 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.502 5.714 3.422 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.357 6.565 6.355 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.922 7.500 4.984 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.395 7.865 5.891 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.706 7.900 4.167 1.00 10.00 H new ATOM 928 N GLY C 8 6.372 4.074 6.828 1.00 10.00 N ATOM 929 CA GLY C 8 6.007 3.069 7.824 1.00 10.00 C ATOM 930 C GLY C 8 5.049 1.990 7.293 1.00 10.00 C ATOM 931 O GLY C 8 5.203 0.815 7.621 1.00 10.00 O ATOM 0 H GLY C 8 6.355 5.027 7.191 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.914 2.588 8.191 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.543 3.566 8.676 1.00 10.00 H new ATOM 935 N PHE C 9 4.076 2.368 6.453 1.00 10.00 N ATOM 936 CA PHE C 9 3.192 1.407 5.794 1.00 10.00 C ATOM 937 C PHE C 9 3.980 0.424 4.911 1.00 10.00 C ATOM 938 O PHE C 9 3.929 -0.791 5.105 1.00 10.00 O ATOM 939 CB PHE C 9 2.130 2.166 4.985 1.00 10.00 C ATOM 940 CG PHE C 9 1.309 1.284 4.065 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.647 0.156 4.583 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.303 1.520 2.677 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.011 -0.735 3.720 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.639 0.631 1.815 1.00 10.00 C ATOM 945 CZ PHE C 9 0.002 -0.508 2.333 1.00 10.00 C ATOM 0 H PHE C 9 3.883 3.341 6.215 1.00 10.00 H new ATOM 0 HA PHE C 9 2.694 0.807 6.556 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.459 2.677 5.675 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.622 2.935 4.390 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.645 -0.025 5.648 1.00 10.00 H new ATOM 0 HD2 PHE C 9 1.809 2.385 2.275 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.527 -1.594 4.122 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.619 0.824 0.753 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.478 -1.209 1.666 1.00 10.00 H new ATOM 955 N THR C 10 4.743 0.954 3.951 1.00 10.00 N ATOM 956 CA THR C 10 5.622 0.166 3.090 1.00 10.00 C ATOM 957 C THR C 10 6.566 -0.716 3.915 1.00 10.00 C ATOM 958 O THR C 10 6.691 -1.909 3.652 1.00 10.00 O ATOM 959 CB THR C 10 6.404 1.108 2.163 1.00 10.00 C ATOM 960 OG1 THR C 10 5.511 2.011 1.546 1.00 10.00 O ATOM 961 CG2 THR C 10 7.144 0.341 1.066 1.00 10.00 C ATOM 0 H THR C 10 4.766 1.954 3.750 1.00 10.00 H new ATOM 0 HA THR C 10 5.014 -0.504 2.482 1.00 10.00 H new ATOM 0 HB THR C 10 7.135 1.636 2.775 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.010 2.613 0.956 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.685 1.044 0.432 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.850 -0.354 1.521 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.426 -0.214 0.462 1.00 10.00 H new ATOM 969 N ALA C 11 7.210 -0.142 4.933 1.00 10.00 N ATOM 970 CA ALA C 11 8.079 -0.866 5.856 1.00 10.00 C ATOM 971 C ALA C 11 7.346 -2.032 6.540 1.00 10.00 C ATOM 972 O ALA C 11 7.845 -3.158 6.536 1.00 10.00 O ATOM 973 CB ALA C 11 8.674 0.117 6.865 1.00 10.00 C ATOM 0 H ALA C 11 7.140 0.854 5.140 1.00 10.00 H new ATOM 0 HA ALA C 11 8.894 -1.320 5.292 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.324 -0.420 7.556 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.253 0.875 6.337 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.870 0.598 7.422 1.00 10.00 H new ATOM 979 N LEU C 12 6.140 -1.797 7.073 1.00 10.00 N ATOM 980 CA LEU C 12 5.286 -2.863 7.593 1.00 10.00 C ATOM 981 C LEU C 12 5.054 -3.958 6.545 1.00 10.00 C ATOM 982 O LEU C 12 5.303 -5.127 6.825 1.00 10.00 O ATOM 983 CB LEU C 12 3.969 -2.288 8.142 1.00 10.00 C ATOM 984 CG LEU C 12 3.033 -3.377 8.702 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.196 -2.804 9.848 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.052 -3.932 7.657 1.00 10.00 C ATOM 0 H LEU C 12 5.734 -0.865 7.154 1.00 10.00 H new ATOM 0 HA LEU C 12 5.803 -3.338 8.427 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.192 -1.567 8.928 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.455 -1.746 7.348 1.00 10.00 H new ATOM 0 HG LEU C 12 3.683 -4.187 9.033 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.537 -3.579 10.239 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.856 -2.455 10.642 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.598 -1.970 9.480 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.423 -4.694 8.117 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.426 -3.123 7.280 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.611 -4.373 6.831 1.00 10.00 H new ATOM 998 N ILE C 13 4.592 -3.602 5.341 1.00 10.00 N ATOM 999 CA ILE C 13 4.344 -4.582 4.276 1.00 10.00 C ATOM 1000 C ILE C 13 5.606 -5.395 3.942 1.00 10.00 C ATOM 1001 O ILE C 13 5.557 -6.624 3.882 1.00 10.00 O ATOM 1002 CB ILE C 13 3.744 -3.894 3.034 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.351 -3.292 3.301 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.679 -4.858 1.839 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.239 -4.323 3.535 1.00 10.00 C ATOM 0 H ILE C 13 4.381 -2.639 5.079 1.00 10.00 H new ATOM 0 HA ILE C 13 3.608 -5.299 4.641 1.00 10.00 H new ATOM 0 HB ILE C 13 4.416 -3.071 2.791 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.413 -2.641 4.173 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.073 -2.665 2.454 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.251 -4.343 0.979 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.684 -5.201 1.593 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.056 -5.714 2.096 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.296 -3.807 3.714 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.143 -4.960 2.656 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.487 -4.936 4.401 1.00 10.00 H new ATOM 1017 N LYS C 14 6.748 -4.729 3.753 1.00 10.00 N ATOM 1018 CA LYS C 14 8.031 -5.398 3.543 1.00 10.00 C ATOM 1019 C LYS C 14 8.364 -6.351 4.703 1.00 10.00 C ATOM 1020 O LYS C 14 8.719 -7.505 4.475 1.00 10.00 O ATOM 1021 CB LYS C 14 9.141 -4.357 3.340 1.00 10.00 C ATOM 1022 CG LYS C 14 8.991 -3.546 2.044 1.00 10.00 C ATOM 1023 CD LYS C 14 9.320 -4.372 0.792 1.00 10.00 C ATOM 1024 CE LYS C 14 9.335 -3.489 -0.462 1.00 10.00 C ATOM 1025 NZ LYS C 14 8.004 -2.924 -0.750 1.00 10.00 N ATOM 0 H LYS C 14 6.807 -3.711 3.742 1.00 10.00 H new ATOM 0 HA LYS C 14 7.958 -6.006 2.641 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.146 -3.673 4.189 1.00 10.00 H new ATOM 0 HB3 LYS C 14 10.106 -4.863 3.333 1.00 10.00 H new ATOM 0 HG2 LYS C 14 7.970 -3.171 1.970 1.00 10.00 H new ATOM 0 HG3 LYS C 14 9.648 -2.677 2.085 1.00 10.00 H new ATOM 0 HD2 LYS C 14 10.291 -4.853 0.914 1.00 10.00 H new ATOM 0 HD3 LYS C 14 8.584 -5.167 0.673 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.052 -2.679 -0.328 1.00 10.00 H new ATOM 0 HE3 LYS C 14 9.673 -4.076 -1.316 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 8.039 -2.389 -1.641 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 7.311 -3.695 -0.836 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 7.722 -2.289 0.024 1.00 10.00 H new ATOM 1039 N THR C 15 8.218 -5.895 5.950 1.00 10.00 N ATOM 1040 CA THR C 15 8.448 -6.730 7.133 1.00 10.00 C ATOM 1041 C THR C 15 7.520 -7.955 7.150 1.00 10.00 C ATOM 1042 O THR C 15 7.964 -9.076 7.398 1.00 10.00 O ATOM 1043 CB THR C 15 8.299 -5.901 8.417 1.00 10.00 C ATOM 1044 OG1 THR C 15 9.129 -4.762 8.364 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.756 -6.692 9.642 1.00 10.00 C ATOM 0 H THR C 15 7.938 -4.939 6.168 1.00 10.00 H new ATOM 0 HA THR C 15 9.471 -7.103 7.085 1.00 10.00 H new ATOM 0 HB THR C 15 7.245 -5.634 8.494 1.00 10.00 H new ATOM 0 HG1 THR C 15 8.702 -4.071 7.816 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.639 -6.079 10.536 1.00 10.00 H new ATOM 0 HG22 THR C 15 8.152 -7.594 9.739 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.804 -6.968 9.527 1.00 10.00 H new ATOM 1053 N LEU C 16 6.232 -7.753 6.856 1.00 10.00 N ATOM 1054 CA LEU C 16 5.247 -8.823 6.711 1.00 10.00 C ATOM 1055 C LEU C 16 5.717 -9.843 5.667 1.00 10.00 C ATOM 1056 O LEU C 16 5.857 -11.021 5.980 1.00 10.00 O ATOM 1057 CB LEU C 16 3.874 -8.213 6.377 1.00 10.00 C ATOM 1058 CG LEU C 16 2.685 -9.171 6.577 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.402 -8.346 6.731 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.497 -10.136 5.398 1.00 10.00 C ATOM 0 H LEU C 16 5.840 -6.823 6.710 1.00 10.00 H new ATOM 0 HA LEU C 16 5.143 -9.367 7.650 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.722 -7.330 6.998 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.883 -7.876 5.340 1.00 10.00 H new ATOM 0 HG LEU C 16 2.894 -9.764 7.467 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.554 -9.016 6.873 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.494 -7.688 7.595 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.245 -7.747 5.834 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.645 -10.787 5.593 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.317 -9.566 4.487 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.396 -10.741 5.276 1.00 10.00 H new ATOM 1072 N ARG C 17 6.004 -9.386 4.445 1.00 10.00 N ATOM 1073 CA ARG C 17 6.554 -10.214 3.373 1.00 10.00 C ATOM 1074 C ARG C 17 7.781 -11.011 3.850 1.00 10.00 C ATOM 1075 O ARG C 17 7.836 -12.230 3.703 1.00 10.00 O ATOM 1076 CB ARG C 17 6.882 -9.300 2.182 1.00 10.00 C ATOM 1077 CG ARG C 17 7.276 -10.037 0.895 1.00 10.00 C ATOM 1078 CD ARG C 17 6.117 -10.850 0.310 1.00 10.00 C ATOM 1079 NE ARG C 17 6.226 -10.929 -1.156 1.00 10.00 N ATOM 1080 CZ ARG C 17 6.945 -11.803 -1.870 1.00 10.00 C ATOM 1081 NH1 ARG C 17 7.558 -12.841 -1.309 1.00 10.00 N ATOM 1082 NH2 ARG C 17 7.047 -11.633 -3.184 1.00 10.00 N ATOM 0 H ARG C 17 5.858 -8.415 4.170 1.00 10.00 H new ATOM 0 HA ARG C 17 5.820 -10.958 3.063 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.015 -8.673 1.974 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.697 -8.634 2.467 1.00 10.00 H new ATOM 0 HG2 ARG C 17 7.618 -9.313 0.155 1.00 10.00 H new ATOM 0 HG3 ARG C 17 8.114 -10.702 1.102 1.00 10.00 H new ATOM 0 HD2 ARG C 17 6.119 -11.854 0.735 1.00 10.00 H new ATOM 0 HD3 ARG C 17 5.168 -10.390 0.585 1.00 10.00 H new ATOM 0 HE ARG C 17 5.694 -10.240 -1.687 1.00 10.00 H new ATOM 0 HH11 ARG C 17 7.489 -12.991 -0.303 1.00 10.00 H new ATOM 0 HH12 ARG C 17 8.098 -13.487 -1.885 1.00 10.00 H new ATOM 0 HH21 ARG C 17 6.581 -10.845 -3.634 1.00 10.00 H new ATOM 0 HH22 ARG C 17 7.591 -12.290 -3.743 1.00 10.00 H new ATOM 1096 N LYS C 18 8.757 -10.331 4.458 1.00 10.00 N ATOM 1097 CA LYS C 18 9.969 -10.948 4.991 1.00 10.00 C ATOM 1098 C LYS C 18 9.688 -12.029 6.049 1.00 10.00 C ATOM 1099 O LYS C 18 10.288 -13.100 5.991 1.00 10.00 O ATOM 1100 CB LYS C 18 10.899 -9.857 5.541 1.00 10.00 C ATOM 1101 CG LYS C 18 11.549 -9.004 4.441 1.00 10.00 C ATOM 1102 CD LYS C 18 12.689 -9.750 3.734 1.00 10.00 C ATOM 1103 CE LYS C 18 13.355 -8.829 2.706 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.445 -9.527 2.001 1.00 10.00 N ATOM 0 H LYS C 18 8.724 -9.321 4.595 1.00 10.00 H new ATOM 0 HA LYS C 18 10.460 -11.468 4.168 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.332 -9.208 6.208 1.00 10.00 H new ATOM 0 HB3 LYS C 18 11.681 -10.324 6.140 1.00 10.00 H new ATOM 0 HG2 LYS C 18 10.793 -8.719 3.709 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.934 -8.082 4.877 1.00 10.00 H new ATOM 0 HD2 LYS C 18 13.424 -10.086 4.465 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.301 -10.641 3.240 1.00 10.00 H new ATOM 0 HE2 LYS C 18 12.613 -8.485 1.986 1.00 10.00 H new ATOM 0 HE3 LYS C 18 13.748 -7.944 3.206 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 14.880 -8.883 1.310 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 15.163 -9.834 2.688 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.062 -10.358 1.506 1.00 10.00 H new ATOM 1118 N CYS C 19 8.808 -11.767 7.024 1.00 10.00 N ATOM 1119 CA CYS C 19 8.440 -12.762 8.037 1.00 10.00 C ATOM 1120 C CYS C 19 7.641 -13.933 7.444 1.00 10.00 C ATOM 1121 O CYS C 19 7.979 -15.094 7.657 1.00 10.00 O ATOM 1122 CB CYS C 19 7.667 -12.102 9.186 1.00 10.00 C ATOM 1123 SG CYS C 19 7.017 -13.305 10.375 1.00 10.00 S ATOM 0 H CYS C 19 8.336 -10.869 7.132 1.00 10.00 H new ATOM 0 HA CYS C 19 9.368 -13.178 8.430 1.00 10.00 H new ATOM 0 HB2 CYS C 19 8.323 -11.403 9.705 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.841 -11.520 8.776 1.00 10.00 H new ATOM 0 HG CYS C 19 6.378 -12.680 11.319 1.00 10.00 H new ATOM 1278 N ILE D 7 -4.012 8.661 15.964 1.00 10.00 N ATOM 1279 CA ILE D 7 -3.161 8.158 17.044 1.00 10.00 C ATOM 1280 C ILE D 7 -3.321 6.643 17.245 1.00 10.00 C ATOM 1281 O ILE D 7 -2.327 5.929 17.373 1.00 10.00 O ATOM 1282 CB ILE D 7 -3.314 8.975 18.344 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.707 8.856 18.985 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.945 10.442 18.072 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -4.808 9.581 20.329 1.00 10.00 C ATOM 0 HA ILE D 7 -2.127 8.307 16.733 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.626 8.553 19.076 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -5.452 9.263 18.301 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.947 7.802 19.127 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -3.053 11.020 18.990 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.913 10.499 17.726 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -3.607 10.848 17.307 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -5.814 9.461 20.732 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -4.085 9.158 21.026 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -4.598 10.641 20.187 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.556 6.133 17.225 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.815 4.701 17.343 1.00 10.00 C ATOM 1299 C GLU D 8 -4.165 3.913 16.196 1.00 10.00 C ATOM 1300 O GLU D 8 -3.443 2.946 16.436 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.329 4.449 17.436 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.971 5.077 18.688 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.325 4.631 19.997 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.182 3.404 20.176 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.981 5.531 20.793 1.00 10.00 O ATOM 0 H GLU D 8 -5.398 6.700 17.127 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.355 4.337 18.262 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.813 4.851 16.546 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.513 3.375 17.441 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.907 6.163 18.613 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -8.030 4.821 18.710 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.383 4.337 14.948 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.757 3.729 13.779 1.00 10.00 C ATOM 1314 C ALA D 9 -2.225 3.791 13.846 1.00 10.00 C ATOM 1315 O ALA D 9 -1.569 2.810 13.515 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.294 4.381 12.504 1.00 10.00 C ATOM 0 H ALA D 9 -5.002 5.116 14.723 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.018 2.671 13.765 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.823 3.923 11.635 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.373 4.238 12.449 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.069 5.448 12.518 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.645 4.912 14.284 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.201 5.046 14.487 1.00 10.00 C ATOM 1324 C ARG D 10 0.319 4.049 15.538 1.00 10.00 C ATOM 1325 O ARG D 10 1.270 3.307 15.277 1.00 10.00 O ATOM 1326 CB ARG D 10 0.120 6.501 14.853 1.00 10.00 C ATOM 1327 CG ARG D 10 1.594 6.780 15.190 1.00 10.00 C ATOM 1328 CD ARG D 10 2.570 6.523 14.034 1.00 10.00 C ATOM 1329 NE ARG D 10 3.010 5.119 13.984 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.147 4.672 13.440 1.00 10.00 C ATOM 1331 NH1 ARG D 10 5.001 5.491 12.836 1.00 10.00 N ATOM 1332 NH2 ARG D 10 4.435 3.377 13.501 1.00 10.00 N ATOM 0 H ARG D 10 -2.169 5.758 14.509 1.00 10.00 H new ATOM 0 HA ARG D 10 0.318 4.799 13.561 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.174 7.142 14.021 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.492 6.788 15.708 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.691 7.818 15.507 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.884 6.160 16.038 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.092 6.787 13.091 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.439 7.171 14.143 1.00 10.00 H new ATOM 0 HE ARG D 10 2.392 4.424 14.402 1.00 10.00 H new ATOM 0 HH11 ARG D 10 4.797 6.489 12.778 1.00 10.00 H new ATOM 0 HH12 ARG D 10 5.861 5.122 12.430 1.00 10.00 H new ATOM 0 HH21 ARG D 10 3.791 2.732 13.960 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.300 3.027 13.089 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.299 4.007 16.722 1.00 10.00 N ATOM 1347 CA LYS D 11 0.055 3.032 17.754 1.00 10.00 C ATOM 1348 C LYS D 11 -0.066 1.592 17.232 1.00 10.00 C ATOM 1349 O LYS D 11 0.859 0.794 17.384 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.808 3.254 19.004 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.404 4.543 19.735 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.186 4.744 21.041 1.00 10.00 C ATOM 1353 CE LYS D 11 -2.680 4.969 20.788 1.00 10.00 C ATOM 1354 NZ LYS D 11 -3.382 5.335 22.029 1.00 10.00 N ATOM 0 H LYS D 11 -1.051 4.642 16.989 1.00 10.00 H new ATOM 0 HA LYS D 11 1.100 3.181 18.027 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.859 3.308 18.719 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.704 2.403 19.677 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.663 4.514 19.954 1.00 10.00 H new ATOM 0 HG3 LYS D 11 -0.571 5.397 19.079 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.054 3.871 21.680 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.777 5.598 21.580 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -2.811 5.758 20.047 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -3.121 4.064 20.371 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -4.395 5.464 21.830 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -3.261 4.578 22.732 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -2.987 6.221 22.403 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.186 1.259 16.583 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.394 -0.053 15.979 1.00 10.00 C ATOM 1370 C TYR D 12 -0.337 -0.381 14.912 1.00 10.00 C ATOM 1371 O TYR D 12 0.232 -1.469 14.924 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.814 -0.144 15.415 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.146 -1.527 14.893 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.572 -2.530 15.783 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.886 -1.852 13.549 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.764 -3.845 15.322 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.070 -3.167 13.092 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.524 -4.158 13.976 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.737 -5.425 13.529 1.00 10.00 O ATOM 0 H TYR D 12 -1.974 1.896 16.464 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.277 -0.806 16.759 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.528 0.128 16.193 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.928 0.581 14.610 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.752 -2.290 16.821 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.544 -1.088 12.867 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -4.096 -4.613 16.004 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -2.862 -3.415 12.062 1.00 10.00 H new ATOM 0 HH TYR D 12 -3.524 -5.475 12.574 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.061 0.556 13.999 1.00 10.00 N ATOM 1390 CA LEU D 13 1.008 0.462 13.004 1.00 10.00 C ATOM 1391 C LEU D 13 2.341 0.132 13.682 1.00 10.00 C ATOM 1392 O LEU D 13 3.006 -0.830 13.301 1.00 10.00 O ATOM 1393 CB LEU D 13 1.080 1.777 12.201 1.00 10.00 C ATOM 1394 CG LEU D 13 2.262 1.891 11.221 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.231 0.803 10.148 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.235 3.263 10.539 1.00 10.00 C ATOM 0 H LEU D 13 -0.591 1.425 13.931 1.00 10.00 H new ATOM 0 HA LEU D 13 0.792 -0.349 12.308 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.153 1.891 11.639 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.131 2.609 12.903 1.00 10.00 H new ATOM 0 HG LEU D 13 3.177 1.767 11.801 1.00 10.00 H new ATOM 0 HD11 LEU D 13 3.084 0.925 9.481 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.279 -0.177 10.622 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.308 0.884 9.574 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.073 3.341 9.846 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.299 3.379 9.992 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.314 4.046 11.293 1.00 10.00 H new ATOM 1408 N GLU D 14 2.722 0.908 14.704 1.00 10.00 N ATOM 1409 CA GLU D 14 3.933 0.657 15.477 1.00 10.00 C ATOM 1410 C GLU D 14 3.930 -0.764 16.066 1.00 10.00 C ATOM 1411 O GLU D 14 4.794 -1.575 15.734 1.00 10.00 O ATOM 1412 CB GLU D 14 4.087 1.743 16.553 1.00 10.00 C ATOM 1413 CG GLU D 14 5.445 1.631 17.263 1.00 10.00 C ATOM 1414 CD GLU D 14 5.668 2.780 18.241 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.979 2.778 19.283 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.517 3.640 17.923 1.00 10.00 O ATOM 0 H GLU D 14 2.196 1.725 15.014 1.00 10.00 H new ATOM 0 HA GLU D 14 4.802 0.710 14.821 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.993 2.728 16.096 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.283 1.652 17.283 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.499 0.683 17.798 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.244 1.624 16.521 1.00 10.00 H new ATOM 1423 N GLN D 15 2.942 -1.073 16.911 1.00 10.00 N ATOM 1424 CA GLN D 15 2.750 -2.386 17.525 1.00 10.00 C ATOM 1425 C GLN D 15 2.905 -3.519 16.503 1.00 10.00 C ATOM 1426 O GLN D 15 3.759 -4.392 16.658 1.00 10.00 O ATOM 1427 CB GLN D 15 1.379 -2.393 18.222 1.00 10.00 C ATOM 1428 CG GLN D 15 0.974 -3.745 18.839 1.00 10.00 C ATOM 1429 CD GLN D 15 0.422 -4.753 17.832 1.00 10.00 C ATOM 1430 OE1 GLN D 15 0.936 -5.855 17.691 1.00 10.00 O ATOM 1431 NE2 GLN D 15 -0.635 -4.399 17.113 1.00 10.00 N ATOM 0 H GLN D 15 2.234 -0.395 17.194 1.00 10.00 H new ATOM 0 HA GLN D 15 3.525 -2.568 18.270 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.383 -1.638 19.008 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.618 -2.097 17.499 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.842 -4.181 19.333 1.00 10.00 H new ATOM 0 HG3 GLN D 15 0.223 -3.570 19.609 1.00 10.00 H new ATOM 0 HE21 GLN D 15 -1.053 -3.478 17.241 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -1.029 -5.048 16.432 1.00 10.00 H new ATOM 1440 N LEU D 16 2.085 -3.502 15.450 1.00 10.00 N ATOM 1441 CA LEU D 16 2.076 -4.547 14.438 1.00 10.00 C ATOM 1442 C LEU D 16 3.416 -4.624 13.695 1.00 10.00 C ATOM 1443 O LEU D 16 3.958 -5.712 13.525 1.00 10.00 O ATOM 1444 CB LEU D 16 0.880 -4.345 13.496 1.00 10.00 C ATOM 1445 CG LEU D 16 0.756 -5.451 12.434 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.636 -6.853 13.044 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.483 -5.194 11.573 1.00 10.00 C ATOM 0 H LEU D 16 1.408 -2.758 15.280 1.00 10.00 H new ATOM 0 HA LEU D 16 1.954 -5.515 14.925 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.037 -4.310 14.085 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.976 -3.380 12.998 1.00 10.00 H new ATOM 0 HG LEU D 16 1.669 -5.420 11.839 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.552 -7.591 12.246 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.521 -7.066 13.643 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -0.250 -6.900 13.677 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.572 -5.977 10.820 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.371 -5.195 12.204 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.389 -4.226 11.080 1.00 10.00 H new ATOM 1459 N HIS D 17 3.987 -3.490 13.275 1.00 10.00 N ATOM 1460 CA HIS D 17 5.299 -3.480 12.633 1.00 10.00 C ATOM 1461 C HIS D 17 6.382 -4.094 13.537 1.00 10.00 C ATOM 1462 O HIS D 17 7.200 -4.884 13.061 1.00 10.00 O ATOM 1463 CB HIS D 17 5.657 -2.055 12.195 1.00 10.00 C ATOM 1464 CG HIS D 17 6.859 -1.968 11.286 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.904 -2.864 11.211 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.118 -0.959 10.396 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.780 -2.392 10.310 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.344 -1.234 9.788 1.00 10.00 N ATOM 0 H HIS D 17 3.559 -2.569 13.370 1.00 10.00 H new ATOM 0 HA HIS D 17 5.252 -4.108 11.743 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.798 -1.618 11.686 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.843 -1.450 13.083 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.995 -3.729 11.744 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.487 -0.105 10.200 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.707 -2.877 10.042 1.00 10.00 H new ATOM 1476 N ARG D 18 6.404 -3.741 14.826 1.00 10.00 N ATOM 1477 CA ARG D 18 7.316 -4.342 15.801 1.00 10.00 C ATOM 1478 C ARG D 18 7.063 -5.850 15.951 1.00 10.00 C ATOM 1479 O ARG D 18 8.001 -6.641 15.889 1.00 10.00 O ATOM 1480 CB ARG D 18 7.226 -3.611 17.151 1.00 10.00 C ATOM 1481 CG ARG D 18 8.242 -2.465 17.280 1.00 10.00 C ATOM 1482 CD ARG D 18 8.047 -1.371 16.228 1.00 10.00 C ATOM 1483 NE ARG D 18 8.990 -0.264 16.437 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.072 0.824 15.665 1.00 10.00 C ATOM 1485 NH1 ARG D 18 8.301 0.957 14.589 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.936 1.787 15.975 1.00 10.00 N ATOM 0 H ARG D 18 5.789 -3.030 15.222 1.00 10.00 H new ATOM 0 HA ARG D 18 8.334 -4.227 15.429 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.219 -3.213 17.276 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.389 -4.326 17.957 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.160 -2.024 18.274 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.250 -2.869 17.193 1.00 10.00 H new ATOM 0 HD2 ARG D 18 8.188 -1.790 15.232 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.025 -0.996 16.274 1.00 10.00 H new ATOM 0 HE ARG D 18 9.629 -0.331 17.229 1.00 10.00 H new ATOM 0 HH11 ARG D 18 7.636 0.223 14.344 1.00 10.00 H new ATOM 0 HH12 ARG D 18 8.374 1.793 14.009 1.00 10.00 H new ATOM 0 HH21 ARG D 18 10.531 1.693 16.798 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.003 2.620 15.390 1.00 10.00 H new ATOM 1500 N LYS D 19 5.806 -6.268 16.122 1.00 10.00 N ATOM 1501 CA LYS D 19 5.442 -7.683 16.191 1.00 10.00 C ATOM 1502 C LYS D 19 5.925 -8.456 14.952 1.00 10.00 C ATOM 1503 O LYS D 19 6.552 -9.508 15.068 1.00 10.00 O ATOM 1504 CB LYS D 19 3.925 -7.799 16.395 1.00 10.00 C ATOM 1505 CG LYS D 19 3.398 -9.242 16.432 1.00 10.00 C ATOM 1506 CD LYS D 19 4.053 -10.074 17.544 1.00 10.00 C ATOM 1507 CE LYS D 19 3.439 -11.475 17.638 1.00 10.00 C ATOM 1508 NZ LYS D 19 2.036 -11.432 18.087 1.00 10.00 N ATOM 0 H LYS D 19 5.013 -5.634 16.216 1.00 10.00 H new ATOM 0 HA LYS D 19 5.945 -8.143 17.042 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.657 -7.303 17.328 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.421 -7.261 15.592 1.00 10.00 H new ATOM 0 HG2 LYS D 19 2.318 -9.228 16.580 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.582 -9.718 15.469 1.00 10.00 H new ATOM 0 HD2 LYS D 19 5.123 -10.157 17.354 1.00 10.00 H new ATOM 0 HD3 LYS D 19 3.938 -9.561 18.499 1.00 10.00 H new ATOM 0 HE2 LYS D 19 3.494 -11.961 16.664 1.00 10.00 H new ATOM 0 HE3 LYS D 19 4.023 -12.082 18.330 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.720 -12.392 18.332 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.958 -10.818 18.922 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 1.438 -11.056 17.323 1.00 10.00 H new ATOM 1522 N LEU D 20 5.665 -7.927 13.754 1.00 10.00 N ATOM 1523 CA LEU D 20 6.141 -8.512 12.505 1.00 10.00 C ATOM 1524 C LEU D 20 7.675 -8.565 12.447 1.00 10.00 C ATOM 1525 O LEU D 20 8.252 -9.594 12.102 1.00 10.00 O ATOM 1526 CB LEU D 20 5.548 -7.759 11.309 1.00 10.00 C ATOM 1527 CG LEU D 20 4.025 -7.936 11.181 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.502 -6.885 10.203 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.642 -9.336 10.685 1.00 10.00 C ATOM 0 H LEU D 20 5.116 -7.077 13.626 1.00 10.00 H new ATOM 0 HA LEU D 20 5.797 -9.545 12.459 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.778 -6.698 11.405 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.027 -8.108 10.394 1.00 10.00 H new ATOM 0 HG LEU D 20 3.579 -7.813 12.168 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.422 -6.992 10.097 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.732 -5.889 10.582 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.978 -7.023 9.232 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.557 -9.412 10.611 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.085 -9.509 9.704 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.011 -10.084 11.387 1.00 10.00 H new ATOM 1541 N LYS D 21 8.353 -7.475 12.821 1.00 10.00 N ATOM 1542 CA LYS D 21 9.810 -7.468 12.942 1.00 10.00 C ATOM 1543 C LYS D 21 10.295 -8.576 13.890 1.00 10.00 C ATOM 1544 O LYS D 21 11.239 -9.295 13.575 1.00 10.00 O ATOM 1545 CB LYS D 21 10.289 -6.075 13.373 1.00 10.00 C ATOM 1546 CG LYS D 21 11.817 -5.967 13.326 1.00 10.00 C ATOM 1547 CD LYS D 21 12.250 -4.552 13.728 1.00 10.00 C ATOM 1548 CE LYS D 21 13.769 -4.374 13.613 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.496 -5.249 14.551 1.00 10.00 N ATOM 0 H LYS D 21 7.911 -6.583 13.046 1.00 10.00 H new ATOM 0 HA LYS D 21 10.250 -7.685 11.969 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.850 -5.320 12.721 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.939 -5.865 14.384 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.263 -6.699 13.999 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.176 -6.196 12.323 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.748 -3.823 13.092 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.936 -4.352 14.752 1.00 10.00 H new ATOM 0 HE2 LYS D 21 14.084 -4.593 12.593 1.00 10.00 H new ATOM 0 HE3 LYS D 21 14.029 -3.334 13.810 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.512 -5.028 14.516 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.141 -5.094 15.516 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 14.349 -6.243 14.283 1.00 10.00 H new ATOM 1563 N ASN D 22 9.629 -8.751 15.035 1.00 10.00 N ATOM 1564 CA ASN D 22 9.911 -9.846 15.958 1.00 10.00 C ATOM 1565 C ASN D 22 9.660 -11.218 15.310 1.00 10.00 C ATOM 1566 O ASN D 22 10.444 -12.137 15.536 1.00 10.00 O ATOM 1567 CB ASN D 22 9.093 -9.666 17.248 1.00 10.00 C ATOM 1568 CG ASN D 22 9.645 -10.420 18.458 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.493 -9.968 19.585 1.00 10.00 O ATOM 1570 ND2 ASN D 22 10.290 -11.567 18.286 1.00 10.00 N ATOM 0 H ASN D 22 8.878 -8.134 15.346 1.00 10.00 H new ATOM 0 HA ASN D 22 10.970 -9.816 16.214 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.046 -8.604 17.488 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.071 -9.997 17.064 1.00 10.00 H new ATOM 0 HD21 ASN D 22 10.658 -12.071 19.093 1.00 10.00 H new ATOM 0 HD22 ASN D 22 10.417 -11.945 17.347 1.00 10.00 H new