USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 12 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.295 K(o=0.3,f=-2.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -39:sc= 0.993 USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.207 (180deg=0) USER MOD Single : A 42 SER OG : rot 103:sc= 1.24 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.96) USER MOD Single : A 71 GLN : amide:sc= -3.08 K(o=-3.1,f=-0.93) USER MOD Single : A 79 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.576 USER MOD Single : A 88 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.24) USER MOD Single : A 95 THR OG1 : rot 170:sc= 0 USER MOD Single : A 99 THR OG1 : rot 87:sc= -0.812 USER MOD Single : A 102 LYS NZ :NH3+ -171:sc=-0.00563 (180deg=-0.126) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -3.55! K(o=-3.6!,f=-0.51) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -155:sc= -0.325 (180deg=-1.27!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 11.034 4.361 6.476 1.00 0.00 N ATOM 126 CA LEU A 10 10.482 3.012 6.568 1.00 0.00 C ATOM 127 C LEU A 10 10.701 2.256 5.254 1.00 0.00 C ATOM 128 O LEU A 10 11.150 1.107 5.257 1.00 0.00 O ATOM 129 CB LEU A 10 8.985 3.091 6.910 1.00 0.00 C ATOM 130 CG LEU A 10 8.403 1.909 7.703 1.00 0.00 C ATOM 131 CD1 LEU A 10 8.359 0.642 6.864 1.00 0.00 C ATOM 132 CD2 LEU A 10 9.206 1.679 8.974 1.00 0.00 C ATOM 0 HA LEU A 10 10.995 2.466 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.812 4.004 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.426 3.186 5.979 1.00 0.00 H new ATOM 0 HG LEU A 10 7.378 2.161 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.942 -0.172 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.735 0.808 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.369 0.380 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.782 0.839 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.241 1.458 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.170 2.575 9.594 1.00 0.00 H new ATOM 144 N TRP A 11 10.412 2.925 4.137 1.00 0.00 N ATOM 145 CA TRP A 11 10.561 2.326 2.809 1.00 0.00 C ATOM 146 C TRP A 11 11.996 1.868 2.570 1.00 0.00 C ATOM 147 O TRP A 11 12.232 0.769 2.066 1.00 0.00 O ATOM 148 CB TRP A 11 10.134 3.328 1.724 1.00 0.00 C ATOM 149 CG TRP A 11 10.476 2.905 0.321 1.00 0.00 C ATOM 150 CD1 TRP A 11 11.053 3.681 -0.644 1.00 0.00 C ATOM 151 CD2 TRP A 11 10.281 1.611 -0.271 1.00 0.00 C ATOM 152 NE1 TRP A 11 11.219 2.954 -1.799 1.00 0.00 N ATOM 153 CE2 TRP A 11 10.756 1.682 -1.593 1.00 0.00 C ATOM 154 CE3 TRP A 11 9.754 0.400 0.189 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.715 0.594 -2.459 1.00 0.00 C ATOM 156 CZ3 TRP A 11 9.719 -0.679 -0.672 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.196 -0.577 -1.980 1.00 0.00 C ATOM 0 H TRP A 11 10.072 3.887 4.126 1.00 0.00 H new ATOM 0 HA TRP A 11 9.914 1.450 2.758 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.057 3.482 1.792 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.607 4.289 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.337 4.715 -0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.622 3.305 -2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.381 0.310 1.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.080 0.671 -3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.315 -1.619 -0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.154 -1.441 -2.627 1.00 0.00 H new ATOM 168 N GLN A 12 12.944 2.704 2.958 1.00 0.00 N ATOM 169 CA GLN A 12 14.354 2.418 2.755 1.00 0.00 C ATOM 170 C GLN A 12 14.744 1.067 3.357 1.00 0.00 C ATOM 171 O GLN A 12 15.545 0.327 2.783 1.00 0.00 O ATOM 172 CB GLN A 12 15.190 3.531 3.373 1.00 0.00 C ATOM 173 CG GLN A 12 14.870 4.908 2.819 1.00 0.00 C ATOM 174 CD GLN A 12 15.752 5.991 3.407 1.00 0.00 C ATOM 175 OE1 GLN A 12 16.899 5.741 3.772 1.00 0.00 O ATOM 176 NE2 GLN A 12 15.227 7.204 3.501 1.00 0.00 N ATOM 0 H GLN A 12 12.760 3.595 3.420 1.00 0.00 H new ATOM 0 HA GLN A 12 14.544 2.367 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.033 3.537 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.246 3.317 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.988 4.896 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.826 5.144 3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.271 7.372 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.779 7.970 3.887 1.00 0.00 H new ATOM 185 N ARG A 13 14.178 0.752 4.515 1.00 0.00 N ATOM 186 CA ARG A 13 14.460 -0.514 5.186 1.00 0.00 C ATOM 187 C ARG A 13 13.755 -1.680 4.493 1.00 0.00 C ATOM 188 O ARG A 13 14.303 -2.777 4.400 1.00 0.00 O ATOM 189 CB ARG A 13 14.077 -0.445 6.671 1.00 0.00 C ATOM 190 CG ARG A 13 15.139 0.213 7.552 1.00 0.00 C ATOM 191 CD ARG A 13 15.390 1.659 7.154 1.00 0.00 C ATOM 192 NE ARG A 13 16.610 2.201 7.755 1.00 0.00 N ATOM 193 CZ ARG A 13 17.602 2.750 7.049 1.00 0.00 C ATOM 194 NH1 ARG A 13 17.548 2.750 5.723 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.650 3.281 7.663 1.00 0.00 N ATOM 0 H ARG A 13 13.521 1.355 5.010 1.00 0.00 H new ATOM 0 HA ARG A 13 15.534 -0.691 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.143 0.107 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.890 -1.455 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.822 0.173 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.070 -0.350 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.462 1.727 6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.538 2.269 7.455 1.00 0.00 H new ATOM 0 HE ARG A 13 16.708 2.157 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.750 2.331 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.304 3.169 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.703 3.272 8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.404 3.698 7.117 1.00 0.00 H new ATOM 209 N LEU A 14 12.546 -1.437 3.993 1.00 0.00 N ATOM 210 CA LEU A 14 11.788 -2.475 3.292 1.00 0.00 C ATOM 211 C LEU A 14 12.450 -2.830 1.963 1.00 0.00 C ATOM 212 O LEU A 14 12.380 -3.972 1.507 1.00 0.00 O ATOM 213 CB LEU A 14 10.347 -2.025 3.048 1.00 0.00 C ATOM 214 CG LEU A 14 9.496 -1.823 4.303 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.075 -1.446 3.916 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.503 -3.080 5.160 1.00 0.00 C ATOM 0 H LEU A 14 12.071 -0.537 4.058 1.00 0.00 H new ATOM 0 HA LEU A 14 11.778 -3.361 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.367 -1.089 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.857 -2.764 2.414 1.00 0.00 H new ATOM 0 HG LEU A 14 9.924 -1.010 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.478 -1.305 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.088 -0.520 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.639 -2.242 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.893 -2.918 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.096 -3.913 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.525 -3.311 5.459 1.00 0.00 H new ATOM 228 N LEU A 15 13.097 -1.841 1.352 1.00 0.00 N ATOM 229 CA LEU A 15 13.848 -2.056 0.120 1.00 0.00 C ATOM 230 C LEU A 15 14.931 -3.112 0.327 1.00 0.00 C ATOM 231 O LEU A 15 15.318 -3.811 -0.609 1.00 0.00 O ATOM 232 CB LEU A 15 14.485 -0.744 -0.349 1.00 0.00 C ATOM 233 CG LEU A 15 13.970 -0.206 -1.684 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.632 1.122 -2.010 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.214 -1.214 -2.800 1.00 0.00 C ATOM 0 H LEU A 15 13.116 -0.880 1.692 1.00 0.00 H new ATOM 0 HA LEU A 15 13.156 -2.410 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.321 0.014 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.562 -0.890 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 15 12.895 -0.045 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.255 1.492 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.405 1.844 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.711 0.984 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.840 -0.812 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.283 -1.409 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.694 -2.144 -2.571 1.00 0.00 H new ATOM 247 N THR A 16 15.430 -3.204 1.554 1.00 0.00 N ATOM 248 CA THR A 16 16.396 -4.232 1.906 1.00 0.00 C ATOM 249 C THR A 16 15.707 -5.584 2.095 1.00 0.00 C ATOM 250 O THR A 16 16.131 -6.591 1.523 1.00 0.00 O ATOM 251 CB THR A 16 17.168 -3.856 3.185 1.00 0.00 C ATOM 252 OG1 THR A 16 17.833 -2.598 2.994 1.00 0.00 O ATOM 253 CG2 THR A 16 18.194 -4.926 3.546 1.00 0.00 C ATOM 0 H THR A 16 15.180 -2.578 2.320 1.00 0.00 H new ATOM 0 HA THR A 16 17.106 -4.309 1.083 1.00 0.00 H new ATOM 0 HB THR A 16 16.453 -3.778 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 16 18.322 -2.359 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 16 18.723 -4.632 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.686 -5.876 3.714 1.00 0.00 H new ATOM 0 HG23 THR A 16 18.908 -5.036 2.730 1.00 0.00 H new ATOM 261 N ARG A 17 14.644 -5.596 2.897 1.00 0.00 N ATOM 262 CA ARG A 17 13.910 -6.820 3.187 1.00 0.00 C ATOM 263 C ARG A 17 12.506 -6.493 3.695 1.00 0.00 C ATOM 264 O ARG A 17 12.341 -5.984 4.805 1.00 0.00 O ATOM 265 CB ARG A 17 14.659 -7.648 4.234 1.00 0.00 C ATOM 266 CG ARG A 17 14.057 -9.024 4.466 1.00 0.00 C ATOM 267 CD ARG A 17 14.766 -9.762 5.590 1.00 0.00 C ATOM 268 NE ARG A 17 16.209 -9.852 5.368 1.00 0.00 N ATOM 269 CZ ARG A 17 16.930 -10.955 5.563 1.00 0.00 C ATOM 270 NH1 ARG A 17 16.355 -12.067 6.009 1.00 0.00 N ATOM 271 NH2 ARG A 17 18.234 -10.941 5.324 1.00 0.00 N ATOM 0 H ARG A 17 14.273 -4.766 3.358 1.00 0.00 H new ATOM 0 HA ARG A 17 13.826 -7.398 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.696 -7.763 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.670 -7.102 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.999 -8.923 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.121 -9.609 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.577 -9.251 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.351 -10.766 5.682 1.00 0.00 H new ATOM 0 HE ARG A 17 16.695 -9.016 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.354 -12.080 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.915 -12.907 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.682 -10.087 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.789 -11.784 5.472 1.00 0.00 H new ATOM 285 N GLY A 18 11.504 -6.773 2.874 1.00 0.00 N ATOM 286 CA GLY A 18 10.128 -6.527 3.262 1.00 0.00 C ATOM 287 C GLY A 18 9.297 -6.007 2.109 1.00 0.00 C ATOM 288 O GLY A 18 9.540 -4.902 1.618 1.00 0.00 O ATOM 0 H GLY A 18 11.620 -7.168 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.687 -7.450 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.105 -5.806 4.079 1.00 0.00 H new ATOM 292 N TRP A 19 8.326 -6.812 1.674 1.00 0.00 N ATOM 293 CA TRP A 19 7.464 -6.468 0.538 1.00 0.00 C ATOM 294 C TRP A 19 8.277 -6.436 -0.754 1.00 0.00 C ATOM 295 O TRP A 19 9.470 -6.751 -0.761 1.00 0.00 O ATOM 296 CB TRP A 19 6.747 -5.126 0.761 1.00 0.00 C ATOM 297 CG TRP A 19 5.693 -5.169 1.833 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.391 -6.219 2.653 1.00 0.00 C ATOM 299 CD2 TRP A 19 4.802 -4.107 2.199 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.365 -5.876 3.500 1.00 0.00 N ATOM 301 CE2 TRP A 19 3.987 -4.586 3.241 1.00 0.00 C ATOM 302 CE3 TRP A 19 4.614 -2.799 1.745 1.00 0.00 C ATOM 303 CZ2 TRP A 19 3.003 -3.803 3.837 1.00 0.00 C ATOM 304 CZ3 TRP A 19 3.637 -2.023 2.337 1.00 0.00 C ATOM 305 CH2 TRP A 19 2.841 -2.527 3.372 1.00 0.00 C ATOM 0 H TRP A 19 8.114 -7.716 2.095 1.00 0.00 H new ATOM 0 HA TRP A 19 6.699 -7.239 0.452 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.487 -4.369 1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.286 -4.811 -0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.886 -7.179 2.638 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.952 -6.484 4.207 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.222 -2.402 0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.390 -4.189 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.485 -1.010 1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 19 2.084 -1.896 3.812 1.00 0.00 H new ATOM 316 N GLN A 20 7.636 -6.069 -1.847 1.00 0.00 N ATOM 317 CA GLN A 20 8.300 -6.048 -3.137 1.00 0.00 C ATOM 318 C GLN A 20 8.155 -4.680 -3.788 1.00 0.00 C ATOM 319 O GLN A 20 7.047 -4.157 -3.907 1.00 0.00 O ATOM 320 CB GLN A 20 7.721 -7.137 -4.043 1.00 0.00 C ATOM 321 CG GLN A 20 8.386 -7.221 -5.410 1.00 0.00 C ATOM 322 CD GLN A 20 7.867 -8.375 -6.242 1.00 0.00 C ATOM 323 OE1 GLN A 20 6.714 -8.788 -6.112 1.00 0.00 O ATOM 324 NE2 GLN A 20 8.716 -8.909 -7.106 1.00 0.00 N ATOM 0 H GLN A 20 6.658 -5.782 -1.868 1.00 0.00 H new ATOM 0 HA GLN A 20 9.362 -6.245 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.818 -8.101 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.655 -6.954 -4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.221 -6.287 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.463 -7.328 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.663 -8.539 -7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.423 -9.690 -7.693 1.00 0.00 H new ATOM 333 N PRO A 21 9.282 -4.065 -4.173 1.00 0.00 N ATOM 334 CA PRO A 21 9.273 -2.802 -4.906 1.00 0.00 C ATOM 335 C PRO A 21 8.701 -2.971 -6.309 1.00 0.00 C ATOM 336 O PRO A 21 9.347 -3.541 -7.194 1.00 0.00 O ATOM 337 CB PRO A 21 10.749 -2.399 -4.970 1.00 0.00 C ATOM 338 CG PRO A 21 11.511 -3.663 -4.766 1.00 0.00 C ATOM 339 CD PRO A 21 10.649 -4.545 -3.905 1.00 0.00 C ATOM 0 HA PRO A 21 8.647 -2.052 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.991 -1.944 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.990 -1.666 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.728 -4.144 -5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.468 -3.466 -4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.763 -5.597 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.907 -4.451 -2.850 1.00 0.00 H new ATOM 347 N VAL A 22 7.477 -2.504 -6.500 1.00 0.00 N ATOM 348 CA VAL A 22 6.832 -2.590 -7.799 1.00 0.00 C ATOM 349 C VAL A 22 7.301 -1.468 -8.710 1.00 0.00 C ATOM 350 O VAL A 22 7.655 -0.381 -8.248 1.00 0.00 O ATOM 351 CB VAL A 22 5.294 -2.561 -7.702 1.00 0.00 C ATOM 352 CG1 VAL A 22 4.774 -3.877 -7.147 1.00 0.00 C ATOM 353 CG2 VAL A 22 4.826 -1.388 -6.853 1.00 0.00 C ATOM 0 H VAL A 22 6.912 -2.063 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 22 7.121 -3.553 -8.221 1.00 0.00 H new ATOM 0 HB VAL A 22 4.888 -2.428 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.686 -3.841 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.073 -4.693 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.189 -4.042 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.737 -1.389 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.239 -1.479 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.166 -0.455 -7.302 1.00 0.00 H new ATOM 363 N GLU A 23 7.281 -1.739 -10.001 1.00 0.00 N ATOM 364 CA GLU A 23 7.817 -0.821 -10.994 1.00 0.00 C ATOM 365 C GLU A 23 6.808 -0.625 -12.113 1.00 0.00 C ATOM 366 O GLU A 23 5.922 -1.456 -12.302 1.00 0.00 O ATOM 367 CB GLU A 23 9.126 -1.371 -11.568 1.00 0.00 C ATOM 368 CG GLU A 23 10.185 -1.659 -10.515 1.00 0.00 C ATOM 369 CD GLU A 23 11.464 -2.207 -11.108 1.00 0.00 C ATOM 370 OE1 GLU A 23 12.282 -1.406 -11.608 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.664 -3.438 -11.071 1.00 0.00 O ATOM 0 H GLU A 23 6.895 -2.598 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 23 8.015 0.139 -10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.914 -2.288 -12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.526 -0.655 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.406 -0.742 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.789 -2.373 -9.793 1.00 0.00 H new ATOM 378 N ALA A 24 6.960 0.452 -12.865 1.00 0.00 N ATOM 379 CA ALA A 24 6.043 0.758 -13.954 1.00 0.00 C ATOM 380 C ALA A 24 6.303 -0.162 -15.136 1.00 0.00 C ATOM 381 O ALA A 24 5.398 -0.473 -15.908 1.00 0.00 O ATOM 382 CB ALA A 24 6.180 2.215 -14.370 1.00 0.00 C ATOM 0 H ALA A 24 7.711 1.131 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 24 5.023 0.595 -13.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.488 2.427 -15.185 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.950 2.859 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.201 2.404 -14.702 1.00 0.00 H new ATOM 388 N SER A 25 7.543 -0.619 -15.245 1.00 0.00 N ATOM 389 CA SER A 25 7.957 -1.492 -16.332 1.00 0.00 C ATOM 390 C SER A 25 7.180 -2.811 -16.325 1.00 0.00 C ATOM 391 O SER A 25 6.962 -3.415 -17.375 1.00 0.00 O ATOM 392 CB SER A 25 9.457 -1.771 -16.219 1.00 0.00 C ATOM 393 OG SER A 25 10.188 -0.561 -16.100 1.00 0.00 O ATOM 0 H SER A 25 8.287 -0.395 -14.584 1.00 0.00 H new ATOM 0 HA SER A 25 7.742 -0.986 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.649 -2.404 -15.353 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.796 -2.321 -17.097 1.00 0.00 H new ATOM 0 HG SER A 25 11.144 -0.762 -16.027 1.00 0.00 H new ATOM 399 N THR A 26 6.746 -3.242 -15.147 1.00 0.00 N ATOM 400 CA THR A 26 6.102 -4.539 -15.009 1.00 0.00 C ATOM 401 C THR A 26 4.857 -4.451 -14.119 1.00 0.00 C ATOM 402 O THR A 26 4.353 -5.467 -13.635 1.00 0.00 O ATOM 403 CB THR A 26 7.103 -5.569 -14.424 1.00 0.00 C ATOM 404 OG1 THR A 26 6.506 -6.869 -14.331 1.00 0.00 O ATOM 405 CG2 THR A 26 7.590 -5.137 -13.048 1.00 0.00 C ATOM 0 H THR A 26 6.828 -2.714 -14.278 1.00 0.00 H new ATOM 0 HA THR A 26 5.785 -4.866 -15.999 1.00 0.00 H new ATOM 0 HB THR A 26 7.954 -5.616 -15.103 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.574 -6.781 -14.042 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.291 -5.877 -12.661 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.089 -4.171 -13.125 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.740 -5.053 -12.371 1.00 0.00 H new ATOM 413 N VAL A 27 4.340 -3.239 -13.940 1.00 0.00 N ATOM 414 CA VAL A 27 3.238 -3.010 -13.007 1.00 0.00 C ATOM 415 C VAL A 27 1.964 -3.751 -13.428 1.00 0.00 C ATOM 416 O VAL A 27 1.282 -4.349 -12.597 1.00 0.00 O ATOM 417 CB VAL A 27 2.941 -1.498 -12.833 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.554 -0.846 -14.150 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.860 -1.274 -11.786 1.00 0.00 C ATOM 0 H VAL A 27 4.664 -2.403 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 27 3.561 -3.412 -12.047 1.00 0.00 H new ATOM 0 HB VAL A 27 3.860 -1.024 -12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.354 0.213 -13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.371 -0.955 -14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.660 -1.328 -14.545 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.670 -0.206 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.944 -1.777 -12.095 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.191 -1.678 -10.829 1.00 0.00 H new ATOM 429 N ASP A 28 1.659 -3.736 -14.719 1.00 0.00 N ATOM 430 CA ASP A 28 0.442 -4.368 -15.208 1.00 0.00 C ATOM 431 C ASP A 28 0.604 -5.883 -15.273 1.00 0.00 C ATOM 432 O ASP A 28 -0.340 -6.621 -14.987 1.00 0.00 O ATOM 433 CB ASP A 28 0.030 -3.802 -16.573 1.00 0.00 C ATOM 434 CG ASP A 28 1.085 -3.987 -17.647 1.00 0.00 C ATOM 435 OD1 ASP A 28 2.052 -3.193 -17.681 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.936 -4.905 -18.482 1.00 0.00 O ATOM 0 H ASP A 28 2.232 -3.297 -15.440 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.356 -4.142 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.893 -4.285 -16.894 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.187 -2.739 -16.467 1.00 0.00 H new ATOM 441 N ASP A 29 1.804 -6.342 -15.623 1.00 0.00 N ATOM 442 CA ASP A 29 2.093 -7.777 -15.655 1.00 0.00 C ATOM 443 C ASP A 29 1.937 -8.378 -14.270 1.00 0.00 C ATOM 444 O ASP A 29 1.271 -9.395 -14.105 1.00 0.00 O ATOM 445 CB ASP A 29 3.514 -8.046 -16.169 1.00 0.00 C ATOM 446 CG ASP A 29 3.918 -9.511 -16.043 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.508 -10.321 -16.900 1.00 0.00 O ATOM 448 OD2 ASP A 29 4.654 -9.856 -15.087 1.00 0.00 O ATOM 0 H ASP A 29 2.589 -5.746 -15.887 1.00 0.00 H new ATOM 0 HA ASP A 29 1.381 -8.242 -16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.581 -7.743 -17.214 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.220 -7.430 -15.613 1.00 0.00 H new ATOM 453 N TRP A 30 2.531 -7.718 -13.281 1.00 0.00 N ATOM 454 CA TRP A 30 2.500 -8.187 -11.900 1.00 0.00 C ATOM 455 C TRP A 30 1.063 -8.405 -11.443 1.00 0.00 C ATOM 456 O TRP A 30 0.743 -9.415 -10.817 1.00 0.00 O ATOM 457 CB TRP A 30 3.202 -7.170 -10.992 1.00 0.00 C ATOM 458 CG TRP A 30 3.459 -7.663 -9.596 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.492 -8.456 -9.187 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.682 -7.382 -8.424 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.400 -8.692 -7.837 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.300 -8.044 -7.346 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.525 -6.639 -8.180 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.801 -7.983 -6.049 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.032 -6.580 -6.892 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.669 -7.247 -5.840 1.00 0.00 C ATOM 0 H TRP A 30 3.045 -6.847 -13.413 1.00 0.00 H new ATOM 0 HA TRP A 30 3.026 -9.140 -11.838 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.152 -6.889 -11.447 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.594 -6.267 -10.940 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.268 -8.842 -9.831 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.047 -9.259 -7.289 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.025 -6.120 -8.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.291 -8.499 -5.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.138 -6.008 -6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.258 -7.179 -4.844 1.00 0.00 H new ATOM 477 N ILE A 31 0.196 -7.463 -11.792 1.00 0.00 N ATOM 478 CA ILE A 31 -1.207 -7.525 -11.409 1.00 0.00 C ATOM 479 C ILE A 31 -1.933 -8.683 -12.087 1.00 0.00 C ATOM 480 O ILE A 31 -2.524 -9.522 -11.415 1.00 0.00 O ATOM 481 CB ILE A 31 -1.933 -6.201 -11.717 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.367 -5.088 -10.838 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.435 -6.339 -11.503 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.463 -5.390 -9.360 1.00 0.00 C ATOM 0 H ILE A 31 0.443 -6.642 -12.344 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.227 -7.694 -10.332 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.768 -5.948 -12.764 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.322 -4.922 -11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.900 -4.161 -11.048 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.923 -5.391 -11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.827 -7.114 -12.162 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.631 -6.612 -10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.044 -4.560 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.508 -5.528 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.906 -6.300 -9.138 1.00 0.00 H new ATOM 496 N LYS A 32 -1.876 -8.742 -13.413 1.00 0.00 N ATOM 497 CA LYS A 32 -2.598 -9.775 -14.152 1.00 0.00 C ATOM 498 C LYS A 32 -2.006 -11.160 -13.892 1.00 0.00 C ATOM 499 O LYS A 32 -2.662 -12.183 -14.096 1.00 0.00 O ATOM 500 CB LYS A 32 -2.631 -9.451 -15.651 1.00 0.00 C ATOM 501 CG LYS A 32 -1.278 -9.329 -16.318 1.00 0.00 C ATOM 502 CD LYS A 32 -0.731 -10.662 -16.763 1.00 0.00 C ATOM 503 CE LYS A 32 0.524 -10.499 -17.599 1.00 0.00 C ATOM 504 NZ LYS A 32 1.140 -11.809 -17.939 1.00 0.00 N ATOM 0 H LYS A 32 -1.344 -8.095 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.627 -9.790 -13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.200 -10.228 -16.161 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.172 -8.515 -15.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.360 -8.667 -17.180 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.576 -8.865 -15.626 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.510 -11.275 -15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.488 -11.192 -17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.281 -9.963 -18.517 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.245 -9.889 -17.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.157 -11.781 -17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.689 -12.560 -17.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.005 -12.003 -18.952 1.00 0.00 H new ATOM 518 N ARG A 33 -0.763 -11.174 -13.432 1.00 0.00 N ATOM 519 CA ARG A 33 -0.040 -12.407 -13.155 1.00 0.00 C ATOM 520 C ARG A 33 -0.624 -13.108 -11.935 1.00 0.00 C ATOM 521 O ARG A 33 -0.847 -14.319 -11.942 1.00 0.00 O ATOM 522 CB ARG A 33 1.426 -12.063 -12.905 1.00 0.00 C ATOM 523 CG ARG A 33 2.416 -13.157 -13.254 1.00 0.00 C ATOM 524 CD ARG A 33 3.820 -12.584 -13.282 1.00 0.00 C ATOM 525 NE ARG A 33 4.846 -13.585 -13.553 1.00 0.00 N ATOM 526 CZ ARG A 33 6.002 -13.305 -14.152 1.00 0.00 C ATOM 527 NH1 ARG A 33 6.198 -12.112 -14.704 1.00 0.00 N ATOM 528 NH2 ARG A 33 6.943 -14.235 -14.243 1.00 0.00 N ATOM 0 H ARG A 33 -0.226 -10.328 -13.240 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.129 -13.081 -14.007 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.676 -11.172 -13.480 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.548 -11.807 -11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.356 -13.963 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.169 -13.589 -14.224 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.872 -11.805 -14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.030 -12.108 -12.324 1.00 0.00 H new ATOM 0 HE ARG A 33 4.669 -14.549 -13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.462 -11.407 -14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.085 -11.901 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.781 -15.164 -13.854 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.829 -14.021 -14.702 1.00 0.00 H new ATOM 542 N VAL A 34 -0.886 -12.335 -10.893 1.00 0.00 N ATOM 543 CA VAL A 34 -1.421 -12.883 -9.653 1.00 0.00 C ATOM 544 C VAL A 34 -2.944 -12.753 -9.588 1.00 0.00 C ATOM 545 O VAL A 34 -3.620 -13.612 -9.028 1.00 0.00 O ATOM 546 CB VAL A 34 -0.783 -12.219 -8.415 1.00 0.00 C ATOM 547 CG1 VAL A 34 0.673 -12.638 -8.275 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.886 -10.705 -8.494 1.00 0.00 C ATOM 0 H VAL A 34 -0.737 -11.326 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.166 -13.943 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.332 -12.554 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.106 -12.160 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.731 -13.721 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.226 -12.334 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.429 -10.263 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.368 -10.351 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.935 -10.414 -8.544 1.00 0.00 H new ATOM 558 N GLY A 35 -3.473 -11.692 -10.183 1.00 0.00 N ATOM 559 CA GLY A 35 -4.909 -11.474 -10.195 1.00 0.00 C ATOM 560 C GLY A 35 -5.321 -10.410 -9.201 1.00 0.00 C ATOM 561 O GLY A 35 -5.993 -9.439 -9.552 1.00 0.00 O ATOM 0 H GLY A 35 -2.930 -10.973 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.224 -11.179 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.421 -12.408 -9.962 1.00 0.00 H new ATOM 565 N ASP A 36 -4.910 -10.590 -7.959 1.00 0.00 N ATOM 566 CA ASP A 36 -5.191 -9.628 -6.907 1.00 0.00 C ATOM 567 C ASP A 36 -3.895 -9.094 -6.319 1.00 0.00 C ATOM 568 O ASP A 36 -2.859 -9.751 -6.385 1.00 0.00 O ATOM 569 CB ASP A 36 -6.049 -10.259 -5.806 1.00 0.00 C ATOM 570 CG ASP A 36 -5.517 -11.598 -5.326 1.00 0.00 C ATOM 571 OD1 ASP A 36 -4.454 -11.633 -4.676 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.168 -12.627 -5.599 1.00 0.00 O ATOM 0 H ASP A 36 -4.375 -11.402 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.748 -8.799 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.105 -9.573 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.065 -10.391 -6.177 1.00 0.00 H new ATOM 577 N GLY A 37 -3.944 -7.901 -5.764 1.00 0.00 N ATOM 578 CA GLY A 37 -2.766 -7.321 -5.162 1.00 0.00 C ATOM 579 C GLY A 37 -2.928 -5.837 -4.931 1.00 0.00 C ATOM 580 O GLY A 37 -4.039 -5.309 -5.010 1.00 0.00 O ATOM 0 H GLY A 37 -4.781 -7.319 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.561 -7.817 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.904 -7.497 -5.806 1.00 0.00 H new ATOM 584 N VAL A 38 -1.829 -5.155 -4.654 1.00 0.00 N ATOM 585 CA VAL A 38 -1.881 -3.734 -4.362 1.00 0.00 C ATOM 586 C VAL A 38 -0.535 -3.063 -4.603 1.00 0.00 C ATOM 587 O VAL A 38 0.520 -3.604 -4.269 1.00 0.00 O ATOM 588 CB VAL A 38 -2.342 -3.480 -2.907 1.00 0.00 C ATOM 589 CG1 VAL A 38 -1.606 -4.390 -1.936 1.00 0.00 C ATOM 590 CG2 VAL A 38 -2.153 -2.027 -2.511 1.00 0.00 C ATOM 0 H VAL A 38 -0.894 -5.561 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.610 -3.295 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.407 -3.709 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.948 -4.191 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.807 -5.431 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.535 -4.201 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.487 -1.884 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.099 -1.762 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.738 -1.390 -3.175 1.00 0.00 H new ATOM 600 N ILE A 39 -0.594 -1.884 -5.201 1.00 0.00 N ATOM 601 CA ILE A 39 0.587 -1.054 -5.408 1.00 0.00 C ATOM 602 C ILE A 39 0.480 0.199 -4.542 1.00 0.00 C ATOM 603 O ILE A 39 -0.478 0.971 -4.662 1.00 0.00 O ATOM 604 CB ILE A 39 0.793 -0.642 -6.898 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.352 -1.804 -7.735 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.718 0.563 -7.006 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.362 -2.910 -7.993 1.00 0.00 C ATOM 0 H ILE A 39 -1.458 -1.474 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 39 1.453 -1.651 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.186 -0.375 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.701 -1.414 -8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.220 -2.220 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.846 0.831 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.283 1.405 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.688 0.317 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.835 -3.690 -8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.030 -3.330 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.497 -2.511 -8.533 1.00 0.00 H new ATOM 619 N LEU A 40 1.436 0.374 -3.646 1.00 0.00 N ATOM 620 CA LEU A 40 1.487 1.550 -2.795 1.00 0.00 C ATOM 621 C LEU A 40 2.400 2.591 -3.435 1.00 0.00 C ATOM 622 O LEU A 40 3.596 2.359 -3.595 1.00 0.00 O ATOM 623 CB LEU A 40 2.002 1.151 -1.403 1.00 0.00 C ATOM 624 CG LEU A 40 1.697 2.118 -0.252 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.070 1.477 1.073 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.443 3.436 -0.408 1.00 0.00 C ATOM 0 H LEU A 40 2.194 -0.290 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 40 0.491 1.979 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.581 0.178 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.083 1.024 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 40 0.628 2.332 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.851 2.169 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.493 0.562 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.134 1.239 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.200 4.093 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.516 3.247 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.148 3.913 -1.343 1.00 0.00 H new ATOM 638 N LEU A 41 1.828 3.719 -3.829 1.00 0.00 N ATOM 639 CA LEU A 41 2.605 4.801 -4.419 1.00 0.00 C ATOM 640 C LEU A 41 3.238 5.649 -3.321 1.00 0.00 C ATOM 641 O LEU A 41 2.541 6.144 -2.437 1.00 0.00 O ATOM 642 CB LEU A 41 1.729 5.681 -5.324 1.00 0.00 C ATOM 643 CG LEU A 41 1.344 5.077 -6.680 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.331 3.956 -6.513 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.794 6.154 -7.604 1.00 0.00 C ATOM 0 H LEU A 41 0.829 3.910 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 41 3.391 4.360 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.814 5.925 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.254 6.620 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 41 2.244 4.655 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.077 3.547 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.758 3.170 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.569 4.347 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.526 5.709 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.090 6.604 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.552 6.921 -7.760 1.00 0.00 H new ATOM 657 N SER A 42 4.555 5.815 -3.380 1.00 0.00 N ATOM 658 CA SER A 42 5.273 6.533 -2.336 1.00 0.00 C ATOM 659 C SER A 42 5.249 8.043 -2.583 1.00 0.00 C ATOM 660 O SER A 42 4.529 8.772 -1.900 1.00 0.00 O ATOM 661 CB SER A 42 6.712 6.021 -2.235 1.00 0.00 C ATOM 662 OG SER A 42 6.735 4.665 -1.823 1.00 0.00 O ATOM 0 H SER A 42 5.143 5.464 -4.136 1.00 0.00 H new ATOM 0 HA SER A 42 4.769 6.347 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.207 6.121 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.271 6.631 -1.526 1.00 0.00 H new ATOM 0 HG SER A 42 6.919 4.091 -2.596 1.00 0.00 H new ATOM 863 N VAL A 56 2.598 3.577 6.762 1.00 0.00 N ATOM 864 CA VAL A 56 2.757 2.519 7.754 1.00 0.00 C ATOM 865 C VAL A 56 1.423 1.836 8.017 1.00 0.00 C ATOM 866 O VAL A 56 1.361 0.644 8.309 1.00 0.00 O ATOM 867 CB VAL A 56 3.317 3.051 9.088 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.809 3.323 8.974 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.580 4.309 9.525 1.00 0.00 C ATOM 0 HA VAL A 56 3.471 1.806 7.343 1.00 0.00 H new ATOM 0 HB VAL A 56 3.162 2.284 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.184 3.698 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.329 2.400 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.985 4.067 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.994 4.664 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.696 5.081 8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.521 4.084 9.655 1.00 0.00 H new ATOM 879 N MET A 57 0.360 2.613 7.888 1.00 0.00 N ATOM 880 CA MET A 57 -0.999 2.135 8.141 1.00 0.00 C ATOM 881 C MET A 57 -1.348 0.949 7.245 1.00 0.00 C ATOM 882 O MET A 57 -2.073 0.043 7.654 1.00 0.00 O ATOM 883 CB MET A 57 -2.005 3.263 7.904 1.00 0.00 C ATOM 884 CG MET A 57 -1.727 4.518 8.717 1.00 0.00 C ATOM 885 SD MET A 57 -2.900 5.840 8.369 1.00 0.00 S ATOM 886 CE MET A 57 -2.184 7.183 9.314 1.00 0.00 C ATOM 0 H MET A 57 0.409 3.592 7.606 1.00 0.00 H new ATOM 0 HA MET A 57 -1.048 1.809 9.180 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.004 3.521 6.845 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.005 2.901 8.143 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.764 4.275 9.779 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.717 4.868 8.505 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.798 8.076 9.200 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.141 6.904 10.367 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.177 7.387 8.951 1.00 0.00 H new ATOM 896 N ILE A 58 -0.814 0.955 6.028 1.00 0.00 N ATOM 897 CA ILE A 58 -1.118 -0.085 5.052 1.00 0.00 C ATOM 898 C ILE A 58 -0.668 -1.456 5.559 1.00 0.00 C ATOM 899 O ILE A 58 -1.341 -2.458 5.333 1.00 0.00 O ATOM 900 CB ILE A 58 -0.466 0.198 3.671 1.00 0.00 C ATOM 901 CG1 ILE A 58 -1.047 1.468 3.033 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.653 -0.986 2.727 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.425 2.759 3.527 1.00 0.00 C ATOM 0 H ILE A 58 -0.168 1.670 5.694 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.200 -0.084 4.921 1.00 0.00 H new ATOM 0 HB ILE A 58 0.600 0.350 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.919 1.408 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.119 1.499 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.188 -0.763 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.188 -1.872 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.717 -1.170 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.894 3.605 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.576 2.847 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.643 2.755 3.309 1.00 0.00 H new ATOM 915 N ALA A 59 0.449 -1.485 6.279 1.00 0.00 N ATOM 916 CA ALA A 59 1.008 -2.740 6.776 1.00 0.00 C ATOM 917 C ALA A 59 0.043 -3.434 7.736 1.00 0.00 C ATOM 918 O ALA A 59 -0.102 -4.656 7.711 1.00 0.00 O ATOM 919 CB ALA A 59 2.347 -2.492 7.458 1.00 0.00 C ATOM 0 H ALA A 59 0.985 -0.655 6.532 1.00 0.00 H new ATOM 0 HA ALA A 59 1.165 -3.399 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.750 -3.437 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.043 -2.052 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.207 -1.809 8.296 1.00 0.00 H new ATOM 925 N GLU A 60 -0.630 -2.645 8.564 1.00 0.00 N ATOM 926 CA GLU A 60 -1.570 -3.181 9.541 1.00 0.00 C ATOM 927 C GLU A 60 -2.864 -3.608 8.849 1.00 0.00 C ATOM 928 O GLU A 60 -3.542 -4.542 9.288 1.00 0.00 O ATOM 929 CB GLU A 60 -1.864 -2.135 10.617 1.00 0.00 C ATOM 930 CG GLU A 60 -2.363 -2.728 11.925 1.00 0.00 C ATOM 931 CD GLU A 60 -1.334 -3.631 12.577 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.353 -3.106 13.144 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.500 -4.869 12.524 1.00 0.00 O ATOM 0 H GLU A 60 -0.542 -1.629 8.579 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.124 -4.055 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.958 -1.561 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.609 -1.436 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.623 -1.922 12.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.275 -3.295 11.740 1.00 0.00 H new ATOM 940 N LEU A 61 -3.190 -2.916 7.755 1.00 0.00 N ATOM 941 CA LEU A 61 -4.395 -3.194 6.970 1.00 0.00 C ATOM 942 C LEU A 61 -4.459 -4.656 6.534 1.00 0.00 C ATOM 943 O LEU A 61 -5.535 -5.249 6.495 1.00 0.00 O ATOM 944 CB LEU A 61 -4.430 -2.298 5.730 1.00 0.00 C ATOM 945 CG LEU A 61 -5.558 -1.262 5.691 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.914 -1.938 5.776 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.391 -0.251 6.817 1.00 0.00 C ATOM 0 H LEU A 61 -2.627 -2.148 7.389 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.256 -2.987 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.477 -1.774 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.514 -2.933 4.848 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.503 -0.732 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.699 -1.183 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.034 -2.620 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.984 -2.498 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.201 0.478 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.417 -0.767 7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.435 0.262 6.707 1.00 0.00 H new ATOM 959 N LEU A 62 -3.296 -5.217 6.205 1.00 0.00 N ATOM 960 CA LEU A 62 -3.178 -6.621 5.787 1.00 0.00 C ATOM 961 C LEU A 62 -3.951 -7.563 6.705 1.00 0.00 C ATOM 962 O LEU A 62 -4.613 -8.490 6.244 1.00 0.00 O ATOM 963 CB LEU A 62 -1.708 -7.060 5.774 1.00 0.00 C ATOM 964 CG LEU A 62 -0.912 -6.750 4.502 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.815 -5.255 4.261 1.00 0.00 C ATOM 966 CD2 LEU A 62 0.474 -7.361 4.604 1.00 0.00 C ATOM 0 H LEU A 62 -2.408 -4.715 6.219 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.602 -6.680 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.203 -6.586 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.672 -8.136 5.945 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.438 -7.187 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.244 -5.069 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.816 -4.838 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.315 -4.782 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.037 -7.139 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.994 -6.943 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.388 -8.441 4.722 1.00 0.00 H new ATOM 978 N ARG A 63 -3.874 -7.314 8.003 1.00 0.00 N ATOM 979 CA ARG A 63 -4.457 -8.215 8.986 1.00 0.00 C ATOM 980 C ARG A 63 -5.945 -7.940 9.172 1.00 0.00 C ATOM 981 O ARG A 63 -6.716 -8.835 9.517 1.00 0.00 O ATOM 982 CB ARG A 63 -3.732 -8.072 10.325 1.00 0.00 C ATOM 983 CG ARG A 63 -2.224 -8.218 10.221 1.00 0.00 C ATOM 984 CD ARG A 63 -1.556 -8.111 11.582 1.00 0.00 C ATOM 985 NE ARG A 63 -1.963 -9.195 12.477 1.00 0.00 N ATOM 986 CZ ARG A 63 -1.127 -10.124 12.940 1.00 0.00 C ATOM 987 NH1 ARG A 63 0.161 -10.077 12.611 1.00 0.00 N ATOM 988 NH2 ARG A 63 -1.576 -11.091 13.732 1.00 0.00 N ATOM 0 H ARG A 63 -3.413 -6.495 8.401 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.341 -9.235 8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.965 -7.097 10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.114 -8.823 11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.981 -9.181 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.828 -7.448 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.473 -8.130 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.808 -7.152 12.035 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.941 -9.242 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.506 -9.332 12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.804 -10.786 12.964 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.563 -11.124 13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.934 -11.801 14.085 1.00 0.00 H new ATOM 1002 N GLU A 64 -6.345 -6.702 8.922 1.00 0.00 N ATOM 1003 CA GLU A 64 -7.713 -6.284 9.161 1.00 0.00 C ATOM 1004 C GLU A 64 -8.565 -6.404 7.898 1.00 0.00 C ATOM 1005 O GLU A 64 -9.741 -6.043 7.903 1.00 0.00 O ATOM 1006 CB GLU A 64 -7.727 -4.843 9.669 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.958 -4.635 10.969 1.00 0.00 C ATOM 1008 CD GLU A 64 -7.516 -5.436 12.130 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.559 -5.036 12.687 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.903 -6.461 12.503 1.00 0.00 O ATOM 0 H GLU A 64 -5.738 -5.970 8.553 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.144 -6.943 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.305 -4.194 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.761 -4.531 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.915 -4.911 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.973 -3.576 11.227 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.977 -6.907 6.816 1.00 0.00 N ATOM 1018 CA PHE A 65 -8.717 -7.087 5.575 1.00 0.00 C ATOM 1019 C PHE A 65 -9.251 -8.513 5.478 1.00 0.00 C ATOM 1020 O PHE A 65 -8.502 -9.453 5.220 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.843 -6.773 4.354 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.521 -5.870 3.361 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.562 -4.501 3.571 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -9.121 -6.387 2.223 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.189 -3.663 2.667 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.748 -5.554 1.314 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.782 -4.189 1.538 1.00 0.00 C ATOM 0 H PHE A 65 -6.999 -7.194 6.775 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.555 -6.389 5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.917 -6.306 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.570 -7.706 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.098 -4.083 4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.099 -7.452 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.214 -2.598 2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.210 -5.969 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.272 -3.537 0.830 1.00 0.00 H new ATOM 1037 N PRO A 66 -10.565 -8.688 5.678 1.00 0.00 N ATOM 1038 CA PRO A 66 -11.214 -9.993 5.678 1.00 0.00 C ATOM 1039 C PRO A 66 -11.693 -10.402 4.287 1.00 0.00 C ATOM 1040 O PRO A 66 -12.517 -11.304 4.137 1.00 0.00 O ATOM 1041 CB PRO A 66 -12.412 -9.782 6.612 1.00 0.00 C ATOM 1042 CG PRO A 66 -12.555 -8.298 6.805 1.00 0.00 C ATOM 1043 CD PRO A 66 -11.536 -7.626 5.926 1.00 0.00 C ATOM 0 HA PRO A 66 -10.538 -10.789 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.319 -10.205 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.251 -10.282 7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.562 -7.973 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.396 -8.030 7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.980 -7.261 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.079 -6.769 6.420 1.00 0.00 H new ATOM 1051 N GLN A 67 -11.182 -9.721 3.273 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.618 -9.951 1.907 1.00 0.00 C ATOM 1053 C GLN A 67 -10.652 -10.842 1.133 1.00 0.00 C ATOM 1054 O GLN A 67 -11.074 -11.785 0.469 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.784 -8.622 1.175 1.00 0.00 C ATOM 1056 CG GLN A 67 -13.103 -7.920 1.446 1.00 0.00 C ATOM 1057 CD GLN A 67 -14.295 -8.713 0.944 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.179 -9.502 0.013 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -15.450 -8.487 1.542 1.00 0.00 N ATOM 0 H GLN A 67 -10.464 -9.004 3.372 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.576 -10.468 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.967 -7.959 1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.692 -8.797 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.208 -7.751 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.095 -6.940 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.503 -7.822 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.289 -8.977 1.232 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.355 -10.554 1.221 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.389 -11.201 0.337 1.00 0.00 C ATOM 1070 C PHE A 68 -7.182 -11.734 1.090 1.00 0.00 C ATOM 1071 O PHE A 68 -6.949 -11.392 2.248 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.896 -10.217 -0.727 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.990 -9.533 -1.485 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -9.698 -10.207 -2.467 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.316 -8.215 -1.206 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -10.712 -9.577 -3.159 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -10.330 -7.582 -1.896 1.00 0.00 C ATOM 1078 CZ PHE A 68 -11.028 -8.263 -2.872 1.00 0.00 C ATOM 0 H PHE A 68 -8.954 -9.889 1.883 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.909 -12.040 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.275 -9.461 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.260 -10.751 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.454 -11.235 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.772 -7.679 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -11.258 -10.110 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.577 -6.555 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 68 -11.822 -7.769 -3.412 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.426 -12.576 0.400 1.00 0.00 N ATOM 1089 CA ASP A 69 -5.113 -13.018 0.847 1.00 0.00 C ATOM 1090 C ASP A 69 -4.090 -12.494 -0.150 1.00 0.00 C ATOM 1091 O ASP A 69 -3.058 -13.121 -0.410 1.00 0.00 O ATOM 1092 CB ASP A 69 -5.047 -14.549 0.918 1.00 0.00 C ATOM 1093 CG ASP A 69 -5.867 -15.127 2.052 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -7.096 -15.266 1.898 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.281 -15.463 3.103 1.00 0.00 O ATOM 0 H ASP A 69 -6.710 -12.975 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.909 -12.636 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.398 -14.966 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.008 -14.857 1.035 1.00 0.00 H new ATOM 1100 N TRP A 70 -4.410 -11.322 -0.692 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.695 -10.726 -1.817 1.00 0.00 C ATOM 1102 C TRP A 70 -2.215 -10.475 -1.543 1.00 0.00 C ATOM 1103 O TRP A 70 -1.747 -10.510 -0.405 1.00 0.00 O ATOM 1104 CB TRP A 70 -4.372 -9.414 -2.240 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.574 -8.409 -1.131 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -4.094 -8.463 0.150 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.318 -7.186 -1.220 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.503 -7.359 0.858 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.252 -6.559 0.040 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -6.037 -6.561 -2.244 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.875 -5.342 0.299 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.654 -5.354 -1.984 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.570 -4.754 -0.722 1.00 0.00 C ATOM 0 H TRP A 70 -5.186 -10.751 -0.357 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.742 -11.457 -2.624 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.773 -8.951 -3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.342 -9.649 -2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.482 -9.259 0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.284 -7.167 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -6.108 -7.015 -3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.812 -4.878 1.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.212 -4.864 -2.768 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.063 -3.809 -0.551 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.489 -10.203 -2.618 1.00 0.00 N ATOM 1125 CA GLN A 71 -0.065 -9.940 -2.545 1.00 0.00 C ATOM 1126 C GLN A 71 0.172 -8.442 -2.419 1.00 0.00 C ATOM 1127 O GLN A 71 -0.196 -7.671 -3.304 1.00 0.00 O ATOM 1128 CB GLN A 71 0.657 -10.495 -3.785 1.00 0.00 C ATOM 1129 CG GLN A 71 0.572 -12.013 -3.933 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.823 -12.519 -4.278 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -1.219 -13.609 -3.868 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.568 -11.749 -5.057 1.00 0.00 N ATOM 0 H GLN A 71 -1.873 -10.159 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 71 0.340 -10.442 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.234 -10.030 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.706 -10.204 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.267 -12.333 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.898 -12.478 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.209 -10.850 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.501 -12.055 -5.334 1.00 0.00 H new ATOM 1141 N VAL A 72 0.770 -8.037 -1.310 1.00 0.00 N ATOM 1142 CA VAL A 72 0.988 -6.624 -1.035 1.00 0.00 C ATOM 1143 C VAL A 72 2.383 -6.183 -1.463 1.00 0.00 C ATOM 1144 O VAL A 72 3.372 -6.872 -1.210 1.00 0.00 O ATOM 1145 CB VAL A 72 0.779 -6.305 0.461 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.669 -6.549 0.855 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.719 -7.132 1.331 1.00 0.00 C ATOM 0 H VAL A 72 1.114 -8.666 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 72 0.252 -6.070 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 72 1.011 -5.252 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.802 -6.320 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.321 -5.909 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.924 -7.593 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.552 -6.889 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.526 -8.192 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.752 -6.907 1.066 1.00 0.00 H new ATOM 1157 N ALA A 73 2.452 -5.045 -2.135 1.00 0.00 N ATOM 1158 CA ALA A 73 3.720 -4.499 -2.583 1.00 0.00 C ATOM 1159 C ALA A 73 3.702 -2.974 -2.500 1.00 0.00 C ATOM 1160 O ALA A 73 2.659 -2.369 -2.239 1.00 0.00 O ATOM 1161 CB ALA A 73 4.019 -4.964 -4.000 1.00 0.00 C ATOM 0 H ALA A 73 1.640 -4.480 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 73 4.512 -4.863 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.973 -4.548 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.071 -6.053 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.228 -4.625 -4.669 1.00 0.00 H new ATOM 1167 N VAL A 74 4.849 -2.356 -2.738 1.00 0.00 N ATOM 1168 CA VAL A 74 4.980 -0.905 -2.648 1.00 0.00 C ATOM 1169 C VAL A 74 5.964 -0.398 -3.704 1.00 0.00 C ATOM 1170 O VAL A 74 6.934 -1.079 -4.030 1.00 0.00 O ATOM 1171 CB VAL A 74 5.422 -0.473 -1.224 1.00 0.00 C ATOM 1172 CG1 VAL A 74 6.565 -1.345 -0.733 1.00 0.00 C ATOM 1173 CG2 VAL A 74 5.811 1.003 -1.176 1.00 0.00 C ATOM 0 H VAL A 74 5.710 -2.839 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 74 4.005 -0.458 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 74 4.569 -0.608 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.861 -1.027 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.242 -2.385 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.413 -1.249 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.114 1.267 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.639 1.183 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.957 1.614 -1.470 1.00 0.00 H new ATOM 1183 N ALA A 75 5.685 0.773 -4.258 1.00 0.00 N ATOM 1184 CA ALA A 75 6.514 1.344 -5.308 1.00 0.00 C ATOM 1185 C ALA A 75 7.596 2.233 -4.721 1.00 0.00 C ATOM 1186 O ALA A 75 7.422 2.810 -3.646 1.00 0.00 O ATOM 1187 CB ALA A 75 5.656 2.138 -6.281 1.00 0.00 C ATOM 0 H ALA A 75 4.885 1.349 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 75 6.996 0.526 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.288 2.560 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.913 1.480 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.151 2.943 -5.747 1.00 0.00 H new ATOM 1193 N ASP A 76 8.704 2.355 -5.434 1.00 0.00 N ATOM 1194 CA ASP A 76 9.811 3.187 -4.983 1.00 0.00 C ATOM 1195 C ASP A 76 9.433 4.668 -5.036 1.00 0.00 C ATOM 1196 O ASP A 76 8.462 5.042 -5.698 1.00 0.00 O ATOM 1197 CB ASP A 76 11.054 2.917 -5.831 1.00 0.00 C ATOM 1198 CG ASP A 76 12.252 3.718 -5.372 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.538 3.720 -4.156 1.00 0.00 O ATOM 1200 OD2 ASP A 76 12.906 4.359 -6.220 1.00 0.00 O ATOM 0 H ASP A 76 8.862 1.889 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 76 10.035 2.933 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.294 1.855 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.839 3.156 -6.872 1.00 0.00 H new ATOM 1205 N LEU A 77 10.206 5.498 -4.340 1.00 0.00 N ATOM 1206 CA LEU A 77 9.909 6.919 -4.212 1.00 0.00 C ATOM 1207 C LEU A 77 9.757 7.571 -5.586 1.00 0.00 C ATOM 1208 O LEU A 77 8.691 8.101 -5.911 1.00 0.00 O ATOM 1209 CB LEU A 77 11.016 7.605 -3.397 1.00 0.00 C ATOM 1210 CG LEU A 77 10.666 8.972 -2.795 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.656 9.330 -1.700 1.00 0.00 C ATOM 1212 CD2 LEU A 77 10.663 10.061 -3.858 1.00 0.00 C ATOM 0 H LEU A 77 11.052 5.204 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 77 8.961 7.036 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.307 6.938 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.889 7.727 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 77 9.664 8.903 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.398 10.302 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.620 8.574 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.662 9.371 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.411 11.017 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.651 10.127 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.925 9.821 -4.623 1.00 0.00 H new ATOM 1224 N GLU A 78 10.812 7.521 -6.393 1.00 0.00 N ATOM 1225 CA GLU A 78 10.789 8.125 -7.719 1.00 0.00 C ATOM 1226 C GLU A 78 9.883 7.343 -8.665 1.00 0.00 C ATOM 1227 O GLU A 78 9.159 7.928 -9.470 1.00 0.00 O ATOM 1228 CB GLU A 78 12.202 8.208 -8.292 1.00 0.00 C ATOM 1229 CG GLU A 78 12.258 8.825 -9.680 1.00 0.00 C ATOM 1230 CD GLU A 78 13.672 9.007 -10.184 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.268 10.071 -9.917 1.00 0.00 O ATOM 1232 OE2 GLU A 78 14.193 8.097 -10.861 1.00 0.00 O ATOM 0 H GLU A 78 11.693 7.068 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 78 10.388 9.134 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.825 8.794 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.629 7.206 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.708 8.192 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.756 9.792 -9.663 1.00 0.00 H new ATOM 1239 N GLN A 79 9.909 6.019 -8.553 1.00 0.00 N ATOM 1240 CA GLN A 79 9.115 5.162 -9.429 1.00 0.00 C ATOM 1241 C GLN A 79 7.621 5.423 -9.266 1.00 0.00 C ATOM 1242 O GLN A 79 6.842 5.171 -10.184 1.00 0.00 O ATOM 1243 CB GLN A 79 9.432 3.690 -9.185 1.00 0.00 C ATOM 1244 CG GLN A 79 10.802 3.287 -9.704 1.00 0.00 C ATOM 1245 CD GLN A 79 11.051 1.797 -9.596 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.562 1.138 -8.680 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.799 1.255 -10.546 1.00 0.00 N ATOM 0 H GLN A 79 10.470 5.516 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 79 9.385 5.407 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.379 3.484 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.671 3.075 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.896 3.593 -10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.570 3.821 -9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.185 1.840 -11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.989 0.253 -10.536 1.00 0.00 H new ATOM 1256 N SER A 80 7.232 5.935 -8.104 1.00 0.00 N ATOM 1257 CA SER A 80 5.857 6.338 -7.857 1.00 0.00 C ATOM 1258 C SER A 80 5.370 7.313 -8.936 1.00 0.00 C ATOM 1259 O SER A 80 4.236 7.219 -9.401 1.00 0.00 O ATOM 1260 CB SER A 80 5.761 6.983 -6.476 1.00 0.00 C ATOM 1261 OG SER A 80 4.418 7.194 -6.094 1.00 0.00 O ATOM 0 H SER A 80 7.858 6.081 -7.312 1.00 0.00 H new ATOM 0 HA SER A 80 5.218 5.456 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.253 6.346 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.293 7.935 -6.480 1.00 0.00 H new ATOM 0 HG SER A 80 4.392 7.606 -5.205 1.00 0.00 H new ATOM 1267 N GLU A 81 6.243 8.232 -9.346 1.00 0.00 N ATOM 1268 CA GLU A 81 5.908 9.200 -10.391 1.00 0.00 C ATOM 1269 C GLU A 81 5.640 8.484 -11.712 1.00 0.00 C ATOM 1270 O GLU A 81 4.646 8.750 -12.383 1.00 0.00 O ATOM 1271 CB GLU A 81 7.050 10.211 -10.557 1.00 0.00 C ATOM 1272 CG GLU A 81 6.868 11.199 -11.708 1.00 0.00 C ATOM 1273 CD GLU A 81 5.781 12.231 -11.462 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.001 13.143 -10.636 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.722 12.163 -12.120 1.00 0.00 O ATOM 0 H GLU A 81 7.187 8.327 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 81 5.005 9.734 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.158 10.772 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.981 9.665 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.812 11.714 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.632 10.645 -12.616 1.00 0.00 H new ATOM 1282 N ALA A 82 6.521 7.556 -12.067 1.00 0.00 N ATOM 1283 CA ALA A 82 6.400 6.818 -13.318 1.00 0.00 C ATOM 1284 C ALA A 82 5.139 5.955 -13.335 1.00 0.00 C ATOM 1285 O ALA A 82 4.434 5.889 -14.342 1.00 0.00 O ATOM 1286 CB ALA A 82 7.633 5.959 -13.540 1.00 0.00 C ATOM 0 H ALA A 82 7.330 7.296 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 82 6.319 7.541 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.532 5.412 -14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.517 6.596 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.737 5.252 -12.717 1.00 0.00 H new ATOM 1292 N ILE A 83 4.856 5.304 -12.213 1.00 0.00 N ATOM 1293 CA ILE A 83 3.670 4.464 -12.104 1.00 0.00 C ATOM 1294 C ILE A 83 2.410 5.322 -12.103 1.00 0.00 C ATOM 1295 O ILE A 83 1.425 4.994 -12.763 1.00 0.00 O ATOM 1296 CB ILE A 83 3.708 3.582 -10.835 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.925 2.652 -10.877 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.422 2.773 -10.703 1.00 0.00 C ATOM 1299 CD1 ILE A 83 5.038 1.734 -9.680 1.00 0.00 C ATOM 0 H ILE A 83 5.429 5.341 -11.370 1.00 0.00 H new ATOM 0 HA ILE A 83 3.656 3.804 -12.971 1.00 0.00 H new ATOM 0 HB ILE A 83 3.792 4.231 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.877 2.047 -11.783 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.829 3.256 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.469 2.159 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.571 3.451 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.305 2.130 -11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.924 1.108 -9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.120 2.330 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.152 1.102 -9.621 1.00 0.00 H new ATOM 1311 N GLY A 84 2.457 6.433 -11.381 1.00 0.00 N ATOM 1312 CA GLY A 84 1.330 7.339 -11.342 1.00 0.00 C ATOM 1313 C GLY A 84 1.054 7.955 -12.700 1.00 0.00 C ATOM 1314 O GLY A 84 -0.098 8.090 -13.104 1.00 0.00 O ATOM 0 H GLY A 84 3.259 6.722 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 84 0.445 6.803 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.524 8.130 -10.617 1.00 0.00 H new ATOM 1318 N ASP A 85 2.121 8.300 -13.412 1.00 0.00 N ATOM 1319 CA ASP A 85 2.021 8.931 -14.729 1.00 0.00 C ATOM 1320 C ASP A 85 1.350 7.999 -15.729 1.00 0.00 C ATOM 1321 O ASP A 85 0.656 8.444 -16.647 1.00 0.00 O ATOM 1322 CB ASP A 85 3.412 9.304 -15.232 1.00 0.00 C ATOM 1323 CG ASP A 85 3.369 10.237 -16.421 1.00 0.00 C ATOM 1324 OD1 ASP A 85 3.085 11.439 -16.229 1.00 0.00 O ATOM 1325 OD2 ASP A 85 3.626 9.780 -17.552 1.00 0.00 O ATOM 0 H ASP A 85 3.079 8.152 -13.096 1.00 0.00 H new ATOM 0 HA ASP A 85 1.413 9.831 -14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.972 9.776 -14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.951 8.397 -15.506 1.00 0.00 H new ATOM 1330 N ARG A 86 1.566 6.703 -15.529 1.00 0.00 N ATOM 1331 CA ARG A 86 0.949 5.651 -16.340 1.00 0.00 C ATOM 1332 C ARG A 86 -0.547 5.897 -16.526 1.00 0.00 C ATOM 1333 O ARG A 86 -1.072 5.799 -17.635 1.00 0.00 O ATOM 1334 CB ARG A 86 1.167 4.298 -15.657 1.00 0.00 C ATOM 1335 CG ARG A 86 0.514 3.115 -16.357 1.00 0.00 C ATOM 1336 CD ARG A 86 1.323 2.626 -17.547 1.00 0.00 C ATOM 1337 NE ARG A 86 0.775 1.377 -18.080 1.00 0.00 N ATOM 1338 CZ ARG A 86 1.422 0.208 -18.073 1.00 0.00 C ATOM 1339 NH1 ARG A 86 2.685 0.137 -17.666 1.00 0.00 N ATOM 1340 NH2 ARG A 86 0.808 -0.890 -18.495 1.00 0.00 N ATOM 0 H ARG A 86 2.178 6.347 -14.795 1.00 0.00 H new ATOM 0 HA ARG A 86 1.415 5.656 -17.325 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.239 4.112 -15.584 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.784 4.356 -14.638 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.390 2.299 -15.645 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.483 3.400 -16.692 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.325 3.388 -18.327 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.360 2.473 -17.248 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.162 1.401 -18.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.169 0.979 -17.355 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.171 -0.760 -17.664 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.156 -0.841 -18.824 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.300 -1.783 -18.490 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.223 6.226 -15.435 1.00 0.00 N ATOM 1355 CA PHE A 87 -2.668 6.442 -15.464 1.00 0.00 C ATOM 1356 C PHE A 87 -3.047 7.840 -14.969 1.00 0.00 C ATOM 1357 O PHE A 87 -4.211 8.103 -14.675 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.379 5.365 -14.636 1.00 0.00 C ATOM 1359 CG PHE A 87 -2.598 4.893 -13.440 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -2.500 5.670 -12.299 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -1.965 3.661 -13.460 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -1.786 5.228 -11.201 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.249 3.214 -12.368 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.159 3.999 -11.237 1.00 0.00 C ATOM 0 H PHE A 87 -0.797 6.350 -14.517 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.994 6.368 -16.501 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.339 5.756 -14.298 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.592 4.510 -15.278 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.987 6.633 -12.266 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.033 3.042 -14.342 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.719 5.844 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.760 2.251 -12.399 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.599 3.652 -10.381 1.00 0.00 H new ATOM 1374 N ASN A 88 -2.053 8.724 -14.885 1.00 0.00 N ATOM 1375 CA ASN A 88 -2.261 10.127 -14.492 1.00 0.00 C ATOM 1376 C ASN A 88 -2.802 10.244 -13.057 1.00 0.00 C ATOM 1377 O ASN A 88 -3.473 11.211 -12.700 1.00 0.00 O ATOM 1378 CB ASN A 88 -3.197 10.825 -15.495 1.00 0.00 C ATOM 1379 CG ASN A 88 -3.128 12.346 -15.429 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -2.288 12.970 -16.081 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -4.016 12.955 -14.660 1.00 0.00 N ATOM 0 H ASN A 88 -1.080 8.493 -15.086 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.293 10.628 -14.509 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.943 10.501 -16.504 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.222 10.507 -15.306 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.020 13.973 -14.593 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.697 12.407 -14.134 1.00 0.00 H new ATOM 1388 N VAL A 89 -2.481 9.272 -12.223 1.00 0.00 N ATOM 1389 CA VAL A 89 -2.897 9.313 -10.829 1.00 0.00 C ATOM 1390 C VAL A 89 -1.676 9.363 -9.920 1.00 0.00 C ATOM 1391 O VAL A 89 -1.081 8.338 -9.597 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.787 8.111 -10.444 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.220 8.204 -8.986 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.010 8.034 -11.348 1.00 0.00 C ATOM 0 H VAL A 89 -1.937 8.449 -12.482 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.494 10.216 -10.699 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.199 7.203 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.846 7.347 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.339 8.208 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.785 9.123 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.623 7.180 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.594 8.949 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.690 7.917 -12.383 1.00 0.00 H new ATOM 1404 N ARG A 90 -1.288 10.574 -9.546 1.00 0.00 N ATOM 1405 CA ARG A 90 -0.125 10.786 -8.689 1.00 0.00 C ATOM 1406 C ARG A 90 -0.474 11.747 -7.557 1.00 0.00 C ATOM 1407 O ARG A 90 0.406 12.263 -6.868 1.00 0.00 O ATOM 1408 CB ARG A 90 1.032 11.361 -9.508 1.00 0.00 C ATOM 1409 CG ARG A 90 0.751 12.756 -10.038 1.00 0.00 C ATOM 1410 CD ARG A 90 1.958 13.348 -10.739 1.00 0.00 C ATOM 1411 NE ARG A 90 1.762 14.765 -11.048 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.753 15.601 -11.354 1.00 0.00 C ATOM 1413 NH1 ARG A 90 3.997 15.146 -11.444 1.00 0.00 N ATOM 1414 NH2 ARG A 90 2.499 16.887 -11.581 1.00 0.00 N ATOM 0 H ARG A 90 -1.764 11.432 -9.824 1.00 0.00 H new ATOM 0 HA ARG A 90 0.175 9.827 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.929 11.388 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.242 10.696 -10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.089 12.719 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.455 13.405 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.839 13.231 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.150 12.798 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 90 0.811 15.134 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.192 14.159 -11.279 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.758 15.784 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.543 17.236 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.261 17.524 -11.815 1.00 0.00 H new ATOM 1428 N ARG A 91 -1.765 11.973 -7.371 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.240 12.949 -6.405 1.00 0.00 C ATOM 1430 C ARG A 91 -2.239 12.345 -5.009 1.00 0.00 C ATOM 1431 O ARG A 91 -3.128 11.564 -4.670 1.00 0.00 O ATOM 1432 CB ARG A 91 -3.640 13.422 -6.800 1.00 0.00 C ATOM 1433 CG ARG A 91 -3.698 13.979 -8.215 1.00 0.00 C ATOM 1434 CD ARG A 91 -5.114 14.338 -8.628 1.00 0.00 C ATOM 1435 NE ARG A 91 -5.646 15.467 -7.867 1.00 0.00 N ATOM 1436 CZ ARG A 91 -6.043 16.610 -8.419 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -5.906 16.805 -9.727 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -6.559 17.567 -7.658 1.00 0.00 N ATOM 0 H ARG A 91 -2.506 11.490 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.573 13.811 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.338 12.589 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.971 14.188 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.065 14.864 -8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.293 13.244 -8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.130 14.580 -9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.761 13.472 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.717 15.373 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.495 16.077 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.212 17.683 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.650 17.425 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.864 18.444 -8.079 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.213 12.704 -4.229 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.002 12.170 -2.878 1.00 0.00 C ATOM 1454 C PHE A 92 -0.557 10.709 -2.937 1.00 0.00 C ATOM 1455 O PHE A 92 -0.791 10.020 -3.932 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.267 12.312 -2.012 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.668 13.736 -1.741 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.010 14.480 -0.774 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.701 14.328 -2.450 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.377 15.786 -0.519 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -4.071 15.635 -2.200 1.00 0.00 C ATOM 1462 CZ PHE A 92 -3.409 16.364 -1.233 1.00 0.00 C ATOM 0 H PHE A 92 -0.502 13.376 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.210 12.757 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.093 11.801 -2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.103 11.805 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.202 14.033 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.223 13.761 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.858 16.355 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.877 16.086 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.697 17.386 -1.035 1.00 0.00 H new ATOM 1472 N PRO A 93 0.128 10.224 -1.890 1.00 0.00 N ATOM 1473 CA PRO A 93 0.525 8.819 -1.804 1.00 0.00 C ATOM 1474 C PRO A 93 -0.695 7.916 -1.672 1.00 0.00 C ATOM 1475 O PRO A 93 -1.329 7.850 -0.619 1.00 0.00 O ATOM 1476 CB PRO A 93 1.388 8.749 -0.543 1.00 0.00 C ATOM 1477 CG PRO A 93 1.725 10.166 -0.213 1.00 0.00 C ATOM 1478 CD PRO A 93 0.578 10.988 -0.720 1.00 0.00 C ATOM 0 HA PRO A 93 1.056 8.482 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.849 8.273 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.289 8.161 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.855 10.297 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.660 10.466 -0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.210 11.088 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.891 11.997 -0.990 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.026 7.238 -2.752 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.238 6.442 -2.804 1.00 0.00 C ATOM 1488 C ALA A 94 -1.922 4.956 -2.832 1.00 0.00 C ATOM 1489 O ALA A 94 -0.908 4.531 -3.387 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.063 6.828 -4.021 1.00 0.00 C ATOM 0 H ALA A 94 -0.472 7.222 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.815 6.644 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.971 6.225 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.330 7.883 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.481 6.653 -4.926 1.00 0.00 H new ATOM 1496 N THR A 95 -2.789 4.170 -2.218 1.00 0.00 N ATOM 1497 CA THR A 95 -2.661 2.728 -2.243 1.00 0.00 C ATOM 1498 C THR A 95 -3.739 2.164 -3.162 1.00 0.00 C ATOM 1499 O THR A 95 -4.923 2.310 -2.884 1.00 0.00 O ATOM 1500 CB THR A 95 -2.817 2.160 -0.819 1.00 0.00 C ATOM 1501 OG1 THR A 95 -2.120 3.002 0.109 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.261 0.752 -0.728 1.00 0.00 C ATOM 0 H THR A 95 -3.594 4.512 -1.693 1.00 0.00 H new ATOM 0 HA THR A 95 -1.676 2.445 -2.615 1.00 0.00 H new ATOM 0 HB THR A 95 -3.879 2.130 -0.577 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.349 2.739 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.385 0.377 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.796 0.104 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.202 0.762 -0.985 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.340 1.544 -4.262 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.296 1.144 -5.286 1.00 0.00 C ATOM 1512 C LEU A 96 -4.781 -0.287 -5.090 1.00 0.00 C ATOM 1513 O LEU A 96 -3.989 -1.192 -4.830 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.675 1.298 -6.669 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.243 2.717 -7.042 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.592 2.725 -8.411 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.427 3.675 -7.014 1.00 0.00 C ATOM 0 H LEU A 96 -2.369 1.308 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.163 1.799 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.806 0.644 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.392 0.948 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.516 3.055 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.289 3.741 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.715 2.077 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.302 2.362 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.091 4.676 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.182 3.342 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.857 3.693 -6.012 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.083 -0.478 -5.238 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.704 -1.788 -5.081 1.00 0.00 C ATOM 1531 C VAL A 97 -6.781 -2.506 -6.423 1.00 0.00 C ATOM 1532 O VAL A 97 -7.400 -2.007 -7.369 1.00 0.00 O ATOM 1533 CB VAL A 97 -8.131 -1.670 -4.500 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.757 -3.044 -4.306 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -8.116 -0.894 -3.191 1.00 0.00 C ATOM 0 H VAL A 97 -6.739 0.268 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.084 -2.358 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.742 -1.121 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.761 -2.932 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.812 -3.557 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.147 -3.628 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.130 -0.822 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.483 -1.411 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.723 0.108 -3.366 1.00 0.00 H new ATOM 1545 N PHE A 98 -6.161 -3.675 -6.501 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.156 -4.455 -7.729 1.00 0.00 C ATOM 1547 C PHE A 98 -6.752 -5.840 -7.512 1.00 0.00 C ATOM 1548 O PHE A 98 -6.205 -6.649 -6.765 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.732 -4.600 -8.272 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.123 -3.320 -8.765 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -4.269 -2.933 -10.087 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -3.390 -2.512 -7.912 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -3.698 -1.765 -10.549 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -2.816 -1.343 -8.369 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.971 -0.970 -9.689 1.00 0.00 C ATOM 0 H PHE A 98 -5.654 -4.104 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.770 -3.919 -8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.097 -5.012 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.739 -5.323 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.837 -3.553 -10.765 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.266 -2.800 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.820 -1.474 -11.582 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.246 -0.721 -7.695 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.523 -0.055 -10.048 1.00 0.00 H new ATOM 1565 N THR A 99 -7.883 -6.093 -8.151 1.00 0.00 N ATOM 1566 CA THR A 99 -8.452 -7.430 -8.219 1.00 0.00 C ATOM 1567 C THR A 99 -8.970 -7.659 -9.629 1.00 0.00 C ATOM 1568 O THR A 99 -9.094 -6.700 -10.398 1.00 0.00 O ATOM 1569 CB THR A 99 -9.599 -7.660 -7.203 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.705 -6.799 -7.489 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.130 -7.427 -5.773 1.00 0.00 C ATOM 0 H THR A 99 -8.430 -5.381 -8.635 1.00 0.00 H new ATOM 0 HA THR A 99 -7.664 -8.138 -7.962 1.00 0.00 H new ATOM 0 HB THR A 99 -9.915 -8.699 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.292 -7.228 -8.147 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.959 -7.597 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.318 -8.116 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.777 -6.401 -5.669 1.00 0.00 H new ATOM 1579 N ASP A 100 -9.254 -8.914 -9.975 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.718 -9.270 -11.321 1.00 0.00 C ATOM 1581 C ASP A 100 -8.629 -8.999 -12.353 1.00 0.00 C ATOM 1582 O ASP A 100 -8.882 -9.024 -13.559 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.975 -8.480 -11.712 1.00 0.00 C ATOM 1584 CG ASP A 100 -12.154 -8.700 -10.786 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.898 -9.683 -10.989 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.359 -7.872 -9.868 1.00 0.00 O ATOM 0 H ASP A 100 -9.171 -9.708 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.959 -10.333 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.733 -7.417 -11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.265 -8.757 -12.725 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.417 -8.750 -11.873 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.344 -8.309 -12.744 1.00 0.00 C ATOM 1593 C GLY A 101 -6.571 -6.895 -13.251 1.00 0.00 C ATOM 1594 O GLY A 101 -5.937 -6.464 -14.214 1.00 0.00 O ATOM 0 H GLY A 101 -7.157 -8.846 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.397 -8.354 -12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.261 -8.990 -13.591 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.481 -6.174 -12.598 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.841 -4.822 -13.012 1.00 0.00 C ATOM 1600 C LYS A 102 -7.625 -3.830 -11.871 1.00 0.00 C ATOM 1601 O LYS A 102 -7.370 -4.222 -10.733 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.313 -4.779 -13.438 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.711 -5.867 -14.420 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.189 -5.780 -14.763 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.636 -6.935 -15.646 1.00 0.00 C ATOM 1606 NZ LYS A 102 -10.831 -7.028 -16.891 1.00 0.00 N ATOM 0 H LYS A 102 -7.984 -6.507 -11.776 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.203 -4.544 -13.851 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.939 -4.861 -12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.521 -3.807 -13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.117 -5.775 -15.330 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.491 -6.845 -13.993 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.775 -5.778 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.389 -4.836 -15.271 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.553 -7.869 -15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.688 -6.809 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.261 -7.725 -17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.805 -6.099 -17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.862 -7.325 -16.657 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.739 -2.547 -12.183 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.679 -1.506 -11.167 1.00 0.00 C ATOM 1622 C LEU A 103 -9.091 -1.200 -10.680 1.00 0.00 C ATOM 1623 O LEU A 103 -9.932 -0.726 -11.443 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.013 -0.242 -11.730 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.918 0.944 -10.763 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.156 0.560 -9.507 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.255 2.129 -11.442 1.00 0.00 C ATOM 0 H LEU A 103 -7.874 -2.202 -13.133 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.078 -1.854 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.007 -0.500 -12.060 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.567 0.076 -12.613 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.930 1.228 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.102 1.418 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.670 -0.260 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.147 0.246 -9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.195 2.963 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.251 1.850 -11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.842 2.426 -12.311 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.351 -1.499 -9.414 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.697 -1.392 -8.862 1.00 0.00 C ATOM 1641 C ARG A 104 -10.902 -0.057 -8.152 1.00 0.00 C ATOM 1642 O ARG A 104 -11.998 0.505 -8.169 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.934 -2.539 -7.881 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.679 -3.921 -8.463 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.912 -4.506 -9.147 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.271 -3.810 -10.385 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.001 -4.362 -11.357 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -13.348 -5.642 -11.284 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.356 -3.645 -12.418 1.00 0.00 N ATOM 0 H ARG A 104 -8.647 -1.818 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.411 -1.449 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.290 -2.398 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.963 -2.491 -7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.862 -3.863 -9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.356 -4.593 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.732 -5.558 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.755 -4.466 -8.458 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.946 -2.852 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.057 -6.205 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.906 -6.062 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.071 -2.669 -12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.914 -4.071 -13.158 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.848 0.442 -7.527 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.937 1.689 -6.795 1.00 0.00 C ATOM 1665 C GLY A 105 -8.686 1.954 -5.990 1.00 0.00 C ATOM 1666 O GLY A 105 -7.608 1.482 -6.348 1.00 0.00 O ATOM 0 H GLY A 105 -8.927 0.004 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.102 2.510 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.799 1.659 -6.129 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.824 2.694 -4.900 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.691 3.033 -4.053 1.00 0.00 C ATOM 1672 C ALA A 106 -8.130 3.210 -2.611 1.00 0.00 C ATOM 1673 O ALA A 106 -9.312 3.426 -2.336 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.014 4.302 -4.557 1.00 0.00 C ATOM 0 H ALA A 106 -9.715 3.073 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.976 2.212 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.168 4.543 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.661 4.146 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.728 5.126 -4.542 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.177 3.113 -1.694 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.450 3.355 -0.290 1.00 0.00 C ATOM 1682 C LEU A 107 -7.326 4.842 0.001 1.00 0.00 C ATOM 1683 O LEU A 107 -6.238 5.347 0.273 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.504 2.561 0.635 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.696 1.041 0.676 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.159 0.688 0.883 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -6.150 0.382 -0.580 1.00 0.00 C ATOM 0 H LEU A 107 -6.209 2.868 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.465 3.014 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.478 2.766 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.617 2.946 1.649 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.130 0.656 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.272 -0.396 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.506 1.111 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.751 1.095 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.301 -0.696 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.672 0.774 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.085 0.595 -0.669 1.00 0.00 H new ATOM 1699 N SER A 108 -8.435 5.551 -0.106 1.00 0.00 N ATOM 1700 CA SER A 108 -8.444 6.979 0.140 1.00 0.00 C ATOM 1701 C SER A 108 -9.261 7.300 1.383 1.00 0.00 C ATOM 1702 O SER A 108 -10.482 7.444 1.319 1.00 0.00 O ATOM 1703 CB SER A 108 -9.003 7.713 -1.078 1.00 0.00 C ATOM 1704 OG SER A 108 -8.302 7.347 -2.256 1.00 0.00 O ATOM 0 H SER A 108 -9.341 5.159 -0.362 1.00 0.00 H new ATOM 0 HA SER A 108 -7.421 7.315 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.062 7.481 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.928 8.790 -0.925 1.00 0.00 H new ATOM 0 HG SER A 108 -8.678 7.828 -3.023 1.00 0.00 H new ATOM 1710 N GLY A 109 -8.579 7.377 2.518 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.247 7.678 3.764 1.00 0.00 C ATOM 1712 C GLY A 109 -9.639 9.135 3.859 1.00 0.00 C ATOM 1713 O GLY A 109 -8.802 10.029 3.709 1.00 0.00 O ATOM 0 H GLY A 109 -7.572 7.235 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.137 7.056 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.592 7.424 4.597 1.00 0.00 H new ATOM 1717 N ILE A 110 -10.914 9.378 4.096 1.00 0.00 N ATOM 1718 CA ILE A 110 -11.412 10.735 4.244 1.00 0.00 C ATOM 1719 C ILE A 110 -11.721 11.010 5.714 1.00 0.00 C ATOM 1720 O ILE A 110 -11.719 12.153 6.170 1.00 0.00 O ATOM 1721 CB ILE A 110 -12.658 10.983 3.356 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -13.115 12.443 3.458 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -13.792 10.038 3.730 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -14.248 12.797 2.516 1.00 0.00 C ATOM 0 H ILE A 110 -11.626 8.653 4.191 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.639 11.427 3.909 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.379 10.782 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.430 12.645 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.266 13.095 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -14.654 10.233 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -13.466 9.007 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -14.069 10.197 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.516 13.846 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -13.931 12.629 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -15.113 12.172 2.736 1.00 0.00 H new ATOM 1736 N HIS A 111 -11.961 9.943 6.456 1.00 0.00 N ATOM 1737 CA HIS A 111 -12.155 10.028 7.894 1.00 0.00 C ATOM 1738 C HIS A 111 -11.219 9.042 8.575 1.00 0.00 C ATOM 1739 O HIS A 111 -10.692 8.147 7.919 1.00 0.00 O ATOM 1740 CB HIS A 111 -13.607 9.709 8.274 1.00 0.00 C ATOM 1741 CG HIS A 111 -14.580 10.802 7.963 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -15.144 11.595 8.932 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -15.107 11.214 6.788 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -15.975 12.450 8.369 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -15.974 12.242 7.067 1.00 0.00 N ATOM 0 H HIS A 111 -12.027 8.997 6.081 1.00 0.00 H new ATOM 0 HA HIS A 111 -11.936 11.045 8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -13.916 8.804 7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -13.651 9.492 9.341 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -14.887 10.810 5.811 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -16.559 13.196 8.888 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -16.525 12.758 6.381 1.00 0.00 H new ATOM 1754 N PRO A 112 -10.970 9.202 9.881 1.00 0.00 N ATOM 1755 CA PRO A 112 -10.198 8.227 10.651 1.00 0.00 C ATOM 1756 C PRO A 112 -10.968 6.920 10.831 1.00 0.00 C ATOM 1757 O PRO A 112 -11.678 6.737 11.824 1.00 0.00 O ATOM 1758 CB PRO A 112 -9.969 8.916 12.007 1.00 0.00 C ATOM 1759 CG PRO A 112 -10.350 10.345 11.798 1.00 0.00 C ATOM 1760 CD PRO A 112 -11.377 10.345 10.704 1.00 0.00 C ATOM 0 HA PRO A 112 -9.268 7.954 10.153 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.577 8.458 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -8.929 8.829 12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.755 10.778 12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -9.483 10.943 11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -12.387 10.223 11.096 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -11.366 11.276 10.138 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.856 6.048 9.830 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.509 4.741 9.831 1.00 0.00 C ATOM 1770 C TRP A 113 -13.032 4.897 9.732 1.00 0.00 C ATOM 1771 O TRP A 113 -13.532 5.997 9.473 1.00 0.00 O ATOM 1772 CB TRP A 113 -11.118 3.943 11.087 1.00 0.00 C ATOM 1773 CG TRP A 113 -11.028 2.462 10.853 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.954 1.514 11.179 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.937 1.762 10.243 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -11.509 0.271 10.801 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.271 0.397 10.225 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -8.709 2.161 9.707 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.422 -0.571 9.691 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -7.867 1.199 9.180 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.227 -0.152 9.174 1.00 0.00 C ATOM 0 H TRP A 113 -10.306 6.230 8.991 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.170 4.185 8.957 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.157 4.304 11.452 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.850 4.135 11.872 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.899 1.712 11.663 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.017 -0.604 10.928 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -8.423 3.202 9.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.698 -1.615 9.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.915 1.496 8.766 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.548 -0.879 8.753 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.748 3.783 9.917 1.00 0.00 N ATOM 1793 CA ALA A 114 -15.216 3.732 9.853 1.00 0.00 C ATOM 1794 C ALA A 114 -15.722 3.726 8.410 1.00 0.00 C ATOM 1795 O ALA A 114 -16.461 2.823 8.013 1.00 0.00 O ATOM 1796 CB ALA A 114 -15.861 4.859 10.654 1.00 0.00 C ATOM 0 H ALA A 114 -13.321 2.879 10.118 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.516 2.790 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.946 4.784 10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.563 4.779 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.536 5.820 10.256 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.306 4.703 7.618 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.765 4.803 6.234 1.00 0.00 C ATOM 1804 C GLU A 115 -15.058 3.789 5.341 1.00 0.00 C ATOM 1805 O GLU A 115 -15.576 3.413 4.286 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.610 6.233 5.684 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.542 7.082 6.363 1.00 0.00 C ATOM 1808 CD GLU A 115 -13.124 6.656 6.050 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -12.688 5.607 6.566 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -12.436 7.394 5.311 1.00 0.00 O ATOM 0 H GLU A 115 -14.656 5.435 7.904 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.829 4.566 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.380 6.172 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.568 6.745 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.673 8.121 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.692 7.042 7.442 1.00 0.00 H new ATOM 1817 N LEU A 116 -13.891 3.333 5.779 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.150 2.284 5.084 1.00 0.00 C ATOM 1819 C LEU A 116 -13.995 1.024 4.918 1.00 0.00 C ATOM 1820 O LEU A 116 -13.864 0.312 3.922 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.864 1.954 5.841 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.574 2.440 5.177 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.385 2.216 6.097 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.358 1.724 3.851 1.00 0.00 C ATOM 0 H LEU A 116 -13.432 3.677 6.622 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.897 2.656 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.927 2.389 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.803 0.873 5.968 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.667 3.509 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.476 2.567 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.534 2.767 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.291 1.153 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.436 2.081 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.285 0.650 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.198 1.928 3.187 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.868 0.758 5.885 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.754 -0.401 5.816 1.00 0.00 C ATOM 1838 C LEU A 117 -16.719 -0.253 4.645 1.00 0.00 C ATOM 1839 O LEU A 117 -17.053 -1.223 3.969 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.543 -0.582 7.124 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.739 -1.083 8.336 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -14.979 -2.356 7.995 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.785 -0.011 8.845 1.00 0.00 C ATOM 0 H LEU A 117 -14.981 1.327 6.724 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.136 -1.287 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.998 0.374 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.357 -1.283 6.939 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.448 -1.310 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -14.418 -2.690 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -15.684 -3.132 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.289 -2.159 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.231 -0.394 9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.087 0.261 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.354 0.869 9.145 1.00 0.00 H new ATOM 1855 N THR A 118 -17.143 0.977 4.395 1.00 0.00 N ATOM 1856 CA THR A 118 -18.038 1.262 3.288 1.00 0.00 C ATOM 1857 C THR A 118 -17.255 1.313 1.979 1.00 0.00 C ATOM 1858 O THR A 118 -17.724 0.833 0.949 1.00 0.00 O ATOM 1859 CB THR A 118 -18.775 2.596 3.505 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.361 2.619 4.814 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.864 2.804 2.460 1.00 0.00 C ATOM 0 H THR A 118 -16.880 1.794 4.946 1.00 0.00 H new ATOM 0 HA THR A 118 -18.777 0.463 3.236 1.00 0.00 H new ATOM 0 HB THR A 118 -18.047 3.402 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.828 3.470 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.365 3.755 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.417 2.813 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.590 1.993 2.524 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.057 1.886 2.036 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.172 1.942 0.877 1.00 0.00 C ATOM 1871 C LEU A 119 -14.867 0.539 0.370 1.00 0.00 C ATOM 1872 O LEU A 119 -14.990 0.260 -0.823 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.868 2.658 1.233 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.010 4.139 1.589 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.671 4.714 2.013 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.577 4.920 0.413 1.00 0.00 C ATOM 0 H LEU A 119 -15.675 2.320 2.876 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.679 2.500 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.408 2.142 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.182 2.568 0.391 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.704 4.226 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.790 5.768 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.303 4.174 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.957 4.613 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.671 5.971 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.909 4.825 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.559 4.524 0.153 1.00 0.00 H new ATOM 1888 N MET A 120 -14.489 -0.340 1.291 1.00 0.00 N ATOM 1889 CA MET A 120 -14.199 -1.732 0.963 1.00 0.00 C ATOM 1890 C MET A 120 -15.406 -2.387 0.302 1.00 0.00 C ATOM 1891 O MET A 120 -15.287 -3.003 -0.756 1.00 0.00 O ATOM 1892 CB MET A 120 -13.791 -2.489 2.236 1.00 0.00 C ATOM 1893 CG MET A 120 -13.548 -3.984 2.043 1.00 0.00 C ATOM 1894 SD MET A 120 -15.055 -4.973 2.163 1.00 0.00 S ATOM 1895 CE MET A 120 -15.583 -4.587 3.833 1.00 0.00 C ATOM 0 H MET A 120 -14.375 -0.111 2.279 1.00 0.00 H new ATOM 0 HA MET A 120 -13.371 -1.768 0.255 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.883 -2.036 2.636 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.570 -2.356 2.986 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.091 -4.148 1.067 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.835 -4.329 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 120 -16.196 -5.402 4.218 1.00 0.00 H new ATOM 0 HE2 MET A 120 -14.708 -4.459 4.471 1.00 0.00 H new ATOM 0 HE3 MET A 120 -16.166 -3.666 3.827 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.571 -2.207 0.910 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.799 -2.818 0.419 1.00 0.00 C ATOM 1907 C ARG A 121 -18.223 -2.191 -0.913 1.00 0.00 C ATOM 1908 O ARG A 121 -18.935 -2.804 -1.706 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.903 -2.667 1.474 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.034 -3.683 1.351 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.166 -3.179 0.469 1.00 0.00 C ATOM 1912 NE ARG A 121 -22.204 -4.189 0.281 1.00 0.00 N ATOM 1913 CZ ARG A 121 -23.233 -4.368 1.110 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -23.370 -3.600 2.185 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -24.133 -5.311 0.859 1.00 0.00 N ATOM 0 H ARG A 121 -16.691 -1.639 1.749 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.624 -3.879 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.457 -2.756 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.323 -1.664 1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.642 -4.613 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.423 -3.913 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.605 -2.287 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.766 -2.885 -0.501 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.138 -4.796 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.686 -2.869 2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.159 -3.741 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.038 -5.900 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.920 -5.447 1.494 1.00 0.00 H new ATOM 1929 N SER A 122 -17.799 -0.957 -1.147 1.00 0.00 N ATOM 1930 CA SER A 122 -18.091 -0.276 -2.398 1.00 0.00 C ATOM 1931 C SER A 122 -17.190 -0.784 -3.524 1.00 0.00 C ATOM 1932 O SER A 122 -17.621 -0.901 -4.673 1.00 0.00 O ATOM 1933 CB SER A 122 -17.932 1.237 -2.229 1.00 0.00 C ATOM 1934 OG SER A 122 -18.406 1.940 -3.373 1.00 0.00 O ATOM 0 H SER A 122 -17.251 -0.407 -0.485 1.00 0.00 H new ATOM 0 HA SER A 122 -19.124 -0.493 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.479 1.565 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.882 1.478 -2.061 1.00 0.00 H new ATOM 0 HG SER A 122 -18.293 2.904 -3.235 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.936 -1.072 -3.193 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.973 -1.534 -4.183 1.00 0.00 C ATOM 1942 C ILE A 123 -15.177 -3.014 -4.489 1.00 0.00 C ATOM 1943 O ILE A 123 -15.284 -3.407 -5.653 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.520 -1.302 -3.708 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.264 0.196 -3.505 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.527 -1.882 -4.709 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.896 0.510 -2.937 1.00 0.00 C ATOM 0 H ILE A 123 -15.564 -0.993 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 123 -15.140 -0.953 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.381 -1.814 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.376 0.707 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.026 0.598 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.511 -1.708 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.697 -2.954 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.662 -1.399 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.789 1.589 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.786 0.028 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.127 0.139 -3.615 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.258 -3.824 -3.444 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.429 -5.258 -3.598 1.00 0.00 C ATOM 1961 C VAL A 124 -16.636 -5.741 -2.807 1.00 0.00 C ATOM 1962 O VAL A 124 -16.513 -6.345 -1.739 1.00 0.00 O ATOM 1963 CB VAL A 124 -14.159 -6.044 -3.193 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -13.092 -5.895 -4.265 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.619 -5.570 -1.851 1.00 0.00 C ATOM 0 H VAL A 124 -15.208 -3.509 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.602 -5.451 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.430 -7.095 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.202 -6.451 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.469 -6.285 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.839 -4.841 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.727 -6.142 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.366 -4.512 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.377 -5.717 -1.082 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.809 -5.421 -3.336 1.00 0.00 N ATOM 1976 CA ASP A 125 -19.082 -5.816 -2.736 1.00 0.00 C ATOM 1977 C ASP A 125 -19.144 -7.326 -2.526 1.00 0.00 C ATOM 1978 O ASP A 125 -19.523 -7.797 -1.453 1.00 0.00 O ATOM 1979 CB ASP A 125 -20.238 -5.357 -3.626 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.586 -5.845 -3.142 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -22.095 -5.309 -2.138 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -22.155 -6.757 -3.777 1.00 0.00 O ATOM 0 H ASP A 125 -17.908 -4.879 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.167 -5.337 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.246 -4.268 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -20.071 -5.715 -4.642 1.00 0.00 H new