USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 SER OG : rot 180:sc= 0.0104 USER MOD Set 1.2: A 128 GLN : amide:sc= 0.0129 X(o=0.023,f=-0.17) USER MOD Set 2.1: A 81 CYS SG : rot 171:sc= -0.45 USER MOD Set 2.2: A 84 GLN : amide:sc= -9.42! C(o=-9.9!,f=-21!) USER MOD Set 3.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 83 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.14) USER MOD Set 4.1: A 41 MET CE :methyl -154:sc= -0.195 (180deg=-1.03) USER MOD Set 4.2: A 116 CYS SG : rot 76:sc= 0.9 USER MOD Set 5.1: A 33 SER OG : rot 180:sc= -1.62 USER MOD Set 5.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.452 K(o=0.45,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= 0.67 (180deg=-0.498!) USER MOD Single : A 49 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-2.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -153:sc= -0.137 (180deg=-1.04) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -3.4! C(o=-3.4!,f=-10!) USER MOD Single : A 98 HIS : no HE2:sc= 0.827 K(o=0.83,f=-8.2!) USER MOD Single : A 105 THR OG1 : rot -34:sc= 0.0399 USER MOD Single : A 106 THR OG1 : rot 156:sc= -3.01 USER MOD Single : A 114 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.35) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= 0.875 (180deg=0.372) USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 -0.067 -12.715 8.505 1.00 0.00 N ATOM 134 CA SER A 33 -0.486 -12.523 9.876 1.00 0.00 C ATOM 135 C SER A 33 -1.755 -13.308 10.167 1.00 0.00 C ATOM 136 O SER A 33 -1.798 -14.086 11.119 1.00 0.00 O ATOM 137 CB SER A 33 -0.715 -11.029 10.136 1.00 0.00 C ATOM 138 OG SER A 33 -1.780 -10.557 9.321 1.00 0.00 O ATOM 0 HA SER A 33 0.298 -12.890 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.949 -10.865 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.195 -10.469 9.921 1.00 0.00 H new ATOM 0 HG SER A 33 -1.924 -9.603 9.491 1.00 0.00 H new ATOM 144 N LEU A 34 -2.791 -13.088 9.352 1.00 0.00 N ATOM 145 CA LEU A 34 -4.077 -13.751 9.557 1.00 0.00 C ATOM 146 C LEU A 34 -3.885 -15.169 10.043 1.00 0.00 C ATOM 147 O LEU A 34 -4.602 -15.632 10.931 1.00 0.00 O ATOM 148 CB LEU A 34 -4.882 -13.744 8.259 1.00 0.00 C ATOM 149 CG LEU A 34 -6.229 -14.435 8.485 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.009 -13.710 9.590 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.037 -14.405 7.188 1.00 0.00 C ATOM 0 H LEU A 34 -2.763 -12.459 8.549 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.626 -13.202 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.040 -12.719 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.327 -14.256 7.473 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.057 -15.468 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.967 -14.207 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.434 -13.732 10.516 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.181 -12.675 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.997 -14.897 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.204 -13.371 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.487 -14.926 6.405 1.00 0.00 H new ATOM 163 N GLU A 35 -2.914 -15.849 9.467 1.00 0.00 N ATOM 164 CA GLU A 35 -2.634 -17.219 9.854 1.00 0.00 C ATOM 165 C GLU A 35 -2.123 -17.278 11.290 1.00 0.00 C ATOM 166 O GLU A 35 -2.543 -18.126 12.072 1.00 0.00 O ATOM 167 CB GLU A 35 -1.589 -17.816 8.913 1.00 0.00 C ATOM 168 CG GLU A 35 -1.731 -19.338 8.891 1.00 0.00 C ATOM 169 CD GLU A 35 -0.637 -19.953 8.026 1.00 0.00 C ATOM 170 OE1 GLU A 35 -0.960 -20.797 7.207 1.00 0.00 O ATOM 171 OE2 GLU A 35 0.510 -19.571 8.195 1.00 0.00 O ATOM 0 H GLU A 35 -2.309 -15.479 8.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.557 -17.794 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.717 -17.414 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.588 -17.538 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.668 -19.732 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.711 -19.614 8.502 1.00 0.00 H new ATOM 178 N GLU A 36 -1.216 -16.373 11.632 1.00 0.00 N ATOM 179 CA GLU A 36 -0.659 -16.343 12.979 1.00 0.00 C ATOM 180 C GLU A 36 -1.734 -15.995 14.002 1.00 0.00 C ATOM 181 O GLU A 36 -1.776 -16.566 15.091 1.00 0.00 O ATOM 182 CB GLU A 36 0.477 -15.308 13.046 1.00 0.00 C ATOM 183 CG GLU A 36 1.827 -15.977 12.771 1.00 0.00 C ATOM 184 CD GLU A 36 1.908 -16.403 11.311 1.00 0.00 C ATOM 185 OE1 GLU A 36 0.916 -16.253 10.617 1.00 0.00 O ATOM 186 OE2 GLU A 36 2.956 -16.881 10.909 1.00 0.00 O ATOM 0 H GLU A 36 -0.853 -15.657 11.003 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.267 -17.333 13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.301 -14.518 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.491 -14.837 14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.638 -15.287 13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.951 -16.844 13.419 1.00 0.00 H new ATOM 193 N LYS A 37 -2.590 -15.048 13.651 1.00 0.00 N ATOM 194 CA LYS A 37 -3.645 -14.616 14.562 1.00 0.00 C ATOM 195 C LYS A 37 -4.516 -15.810 14.946 1.00 0.00 C ATOM 196 O LYS A 37 -4.818 -16.016 16.120 1.00 0.00 O ATOM 197 CB LYS A 37 -4.525 -13.565 13.878 1.00 0.00 C ATOM 198 CG LYS A 37 -3.647 -12.574 13.122 1.00 0.00 C ATOM 199 CD LYS A 37 -4.518 -11.530 12.449 1.00 0.00 C ATOM 200 CE LYS A 37 -3.721 -10.840 11.326 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.611 -9.927 10.552 1.00 0.00 N ATOM 0 H LYS A 37 -2.578 -14.566 12.752 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.186 -14.189 15.454 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.219 -14.049 13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.126 -13.040 14.621 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.951 -12.093 13.809 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.049 -13.098 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.413 -11.998 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.850 -10.792 13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.891 -10.276 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.290 -11.589 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.064 -9.467 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.389 -10.475 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.002 -9.202 11.187 1.00 0.00 H new ATOM 215 N ILE A 38 -4.912 -16.597 13.949 1.00 0.00 N ATOM 216 CA ILE A 38 -5.740 -17.772 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.985 -18.787 15.054 1.00 0.00 C ATOM 218 O ILE A 38 -5.538 -19.360 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.147 -18.417 12.874 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.076 -17.470 12.112 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.884 -19.730 13.148 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.268 -17.983 10.684 1.00 0.00 C ATOM 0 H ILE A 38 -4.675 -16.444 12.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.634 -17.456 14.738 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.255 -18.615 12.280 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.039 -17.403 12.618 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.654 -16.465 12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.174 -20.189 12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.229 -20.408 13.695 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.776 -19.530 13.742 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.930 -17.308 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.302 -18.027 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.709 -18.980 10.712 1.00 0.00 H new ATOM 234 N LYS A 39 -3.718 -19.009 14.718 1.00 0.00 N ATOM 235 CA LYS A 39 -2.898 -19.961 15.458 1.00 0.00 C ATOM 236 C LYS A 39 -2.773 -19.531 16.913 1.00 0.00 C ATOM 237 O LYS A 39 -2.814 -20.362 17.820 1.00 0.00 O ATOM 238 CB LYS A 39 -1.508 -20.042 14.826 1.00 0.00 C ATOM 239 CG LYS A 39 -1.616 -20.691 13.442 1.00 0.00 C ATOM 240 CD LYS A 39 -0.293 -20.526 12.677 1.00 0.00 C ATOM 241 CE LYS A 39 0.674 -21.652 13.038 1.00 0.00 C ATOM 242 NZ LYS A 39 1.787 -21.682 12.054 1.00 0.00 N ATOM 0 H LYS A 39 -3.240 -18.547 13.944 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.374 -20.941 15.419 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.077 -19.045 14.740 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.841 -20.624 15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.856 -21.749 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.430 -20.233 12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.483 -20.531 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.155 -19.562 12.917 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.067 -21.500 14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.151 -22.608 13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.446 -22.448 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.404 -21.846 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.291 -20.773 12.072 1.00 0.00 H new ATOM 256 N LEU A 40 -2.616 -18.229 17.130 1.00 0.00 N ATOM 257 CA LEU A 40 -2.486 -17.708 18.485 1.00 0.00 C ATOM 258 C LEU A 40 -3.788 -17.885 19.264 1.00 0.00 C ATOM 259 O LEU A 40 -3.789 -18.365 20.399 1.00 0.00 O ATOM 260 CB LEU A 40 -2.120 -16.224 18.436 1.00 0.00 C ATOM 261 CG LEU A 40 -1.970 -15.686 19.859 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.856 -16.446 20.584 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.619 -14.205 19.803 1.00 0.00 C ATOM 0 H LEU A 40 -2.576 -17.523 16.395 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.698 -18.266 18.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.190 -16.086 17.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.891 -15.666 17.905 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.908 -15.821 20.398 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.752 -16.060 21.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.105 -17.506 20.624 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.084 -16.314 20.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.511 -13.818 20.816 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.681 -14.073 19.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.413 -13.662 19.290 1.00 0.00 H new ATOM 275 N MET A 41 -4.894 -17.490 18.645 1.00 0.00 N ATOM 276 CA MET A 41 -6.200 -17.601 19.279 1.00 0.00 C ATOM 277 C MET A 41 -6.577 -19.064 19.460 1.00 0.00 C ATOM 278 O MET A 41 -7.286 -19.424 20.400 1.00 0.00 O ATOM 279 CB MET A 41 -7.255 -16.884 18.437 1.00 0.00 C ATOM 280 CG MET A 41 -7.126 -15.370 18.621 1.00 0.00 C ATOM 281 SD MET A 41 -7.528 -14.923 20.330 1.00 0.00 S ATOM 282 CE MET A 41 -9.315 -15.199 20.229 1.00 0.00 C ATOM 0 H MET A 41 -4.912 -17.091 17.707 1.00 0.00 H new ATOM 0 HA MET A 41 -6.154 -17.130 20.261 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.132 -17.143 17.385 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.252 -17.211 18.731 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.112 -15.050 18.381 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.795 -14.853 17.933 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.821 -14.578 20.968 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.668 -14.937 19.232 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.533 -16.249 20.427 1.00 0.00 H new ATOM 292 N ARG A 42 -6.107 -19.902 18.547 1.00 0.00 N ATOM 293 CA ARG A 42 -6.408 -21.324 18.611 1.00 0.00 C ATOM 294 C ARG A 42 -5.795 -21.945 19.857 1.00 0.00 C ATOM 295 O ARG A 42 -6.193 -23.031 20.279 1.00 0.00 O ATOM 296 CB ARG A 42 -5.880 -22.043 17.357 1.00 0.00 C ATOM 297 CG ARG A 42 -6.958 -22.081 16.265 1.00 0.00 C ATOM 298 CD ARG A 42 -6.666 -23.233 15.315 1.00 0.00 C ATOM 299 NE ARG A 42 -5.362 -23.066 14.674 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.249 -22.753 13.387 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.067 -22.612 12.851 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.319 -22.587 12.660 1.00 0.00 N ATOM 0 H ARG A 42 -5.521 -19.625 17.760 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.491 -21.440 18.656 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.993 -21.531 16.983 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.577 -23.058 17.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.943 -22.205 16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.973 -21.138 15.719 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.688 -24.175 15.863 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.445 -23.288 14.554 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.516 -23.193 15.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.230 -22.742 13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.980 -22.372 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.242 -22.697 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.232 -22.347 11.672 1.00 0.00 H new ATOM 316 N LEU A 43 -4.829 -21.253 20.440 1.00 0.00 N ATOM 317 CA LEU A 43 -4.174 -21.744 21.645 1.00 0.00 C ATOM 318 C LEU A 43 -4.828 -21.166 22.892 1.00 0.00 C ATOM 319 O LEU A 43 -4.963 -21.850 23.906 1.00 0.00 O ATOM 320 CB LEU A 43 -2.687 -21.379 21.619 1.00 0.00 C ATOM 321 CG LEU A 43 -1.906 -22.445 20.843 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.449 -22.005 20.715 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.973 -23.792 21.590 1.00 0.00 C ATOM 0 H LEU A 43 -4.482 -20.355 20.102 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.278 -22.829 21.673 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.550 -20.403 21.153 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.304 -21.303 22.637 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.344 -22.565 19.852 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.112 -22.760 20.164 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.401 -21.056 20.182 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.016 -21.885 21.708 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.416 -24.545 21.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.538 -23.679 22.583 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.013 -24.105 21.683 1.00 0.00 H new ATOM 335 N VAL A 44 -5.227 -19.905 22.811 1.00 0.00 N ATOM 336 CA VAL A 44 -5.864 -19.245 23.943 1.00 0.00 C ATOM 337 C VAL A 44 -7.175 -19.935 24.302 1.00 0.00 C ATOM 338 O VAL A 44 -7.449 -20.206 25.472 1.00 0.00 O ATOM 339 CB VAL A 44 -6.128 -17.772 23.606 1.00 0.00 C ATOM 340 CG1 VAL A 44 -7.148 -17.185 24.592 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.815 -16.988 23.701 1.00 0.00 C ATOM 0 H VAL A 44 -5.123 -19.322 21.981 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.194 -19.307 24.800 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.527 -17.699 22.594 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.331 -16.139 24.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.082 -17.742 24.524 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.756 -17.257 25.607 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.999 -15.940 23.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.418 -17.065 24.713 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.093 -17.400 22.996 1.00 0.00 H new ATOM 351 N VAL A 45 -7.980 -20.220 23.286 1.00 0.00 N ATOM 352 CA VAL A 45 -9.261 -20.877 23.498 1.00 0.00 C ATOM 353 C VAL A 45 -9.053 -22.282 24.048 1.00 0.00 C ATOM 354 O VAL A 45 -9.771 -22.723 24.945 1.00 0.00 O ATOM 355 CB VAL A 45 -10.044 -20.942 22.187 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.255 -21.857 22.360 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.525 -19.535 21.816 1.00 0.00 C ATOM 0 H VAL A 45 -7.769 -20.007 22.311 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.831 -20.297 24.224 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.401 -21.333 21.398 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.813 -21.903 21.425 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.919 -22.858 22.632 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.898 -21.464 23.147 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.084 -19.576 20.881 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.169 -19.150 22.607 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.665 -18.876 21.695 1.00 0.00 H new ATOM 367 N ARG A 46 -8.069 -22.981 23.500 1.00 0.00 N ATOM 368 CA ARG A 46 -7.778 -24.339 23.938 1.00 0.00 C ATOM 369 C ARG A 46 -7.282 -24.341 25.383 1.00 0.00 C ATOM 370 O ARG A 46 -7.242 -25.381 26.038 1.00 0.00 O ATOM 371 CB ARG A 46 -6.722 -24.970 23.020 1.00 0.00 C ATOM 372 CG ARG A 46 -6.480 -26.429 23.426 1.00 0.00 C ATOM 373 CD ARG A 46 -7.792 -27.215 23.326 1.00 0.00 C ATOM 374 NE ARG A 46 -7.519 -28.616 23.049 1.00 0.00 N ATOM 375 CZ ARG A 46 -8.362 -29.569 23.433 1.00 0.00 C ATOM 376 NH1 ARG A 46 -8.096 -30.819 23.172 1.00 0.00 N ATOM 377 NH2 ARG A 46 -9.456 -29.254 24.072 1.00 0.00 N ATOM 0 H ARG A 46 -7.463 -22.634 22.757 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.695 -24.926 23.885 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.054 -24.923 21.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.791 -24.407 23.082 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.726 -26.877 22.779 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.094 -26.474 24.444 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.351 -27.123 24.257 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.416 -26.796 22.537 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.666 -28.872 22.552 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.241 -31.065 22.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.743 -31.550 23.467 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.664 -28.277 24.276 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.103 -29.985 24.367 1.00 0.00 H new ATOM 391 N HIS A 47 -6.905 -23.169 25.874 1.00 0.00 N ATOM 392 CA HIS A 47 -6.409 -23.050 27.242 1.00 0.00 C ATOM 393 C HIS A 47 -7.159 -21.954 27.991 1.00 0.00 C ATOM 394 O HIS A 47 -6.612 -21.323 28.894 1.00 0.00 O ATOM 395 CB HIS A 47 -4.914 -22.732 27.221 1.00 0.00 C ATOM 396 CG HIS A 47 -4.180 -23.829 26.499 1.00 0.00 C ATOM 397 ND1 HIS A 47 -4.150 -23.912 25.116 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.441 -24.894 26.953 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.416 -24.991 24.789 1.00 0.00 C ATOM 400 NE2 HIS A 47 -2.960 -25.626 25.872 1.00 0.00 N ATOM 0 H HIS A 47 -6.932 -22.293 25.353 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.573 -23.997 27.757 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.741 -21.777 26.726 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.537 -22.636 28.239 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.602 -23.271 24.464 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.261 -25.128 27.992 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.219 -25.305 23.775 1.00 0.00 H new ATOM 407 N LYS A 48 -8.412 -21.734 27.611 1.00 0.00 N ATOM 408 CA LYS A 48 -9.227 -20.712 28.256 1.00 0.00 C ATOM 409 C LYS A 48 -9.590 -21.133 29.674 1.00 0.00 C ATOM 410 O LYS A 48 -9.768 -20.292 30.554 1.00 0.00 O ATOM 411 CB LYS A 48 -10.498 -20.471 27.441 1.00 0.00 C ATOM 412 CG LYS A 48 -11.335 -21.748 27.404 1.00 0.00 C ATOM 413 CD LYS A 48 -12.561 -21.528 26.514 1.00 0.00 C ATOM 414 CE LYS A 48 -13.391 -22.811 26.464 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.581 -22.601 25.593 1.00 0.00 N ATOM 0 H LYS A 48 -8.883 -22.246 26.865 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.652 -19.788 28.306 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.076 -19.659 27.882 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.239 -20.165 26.427 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.738 -22.576 27.021 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.648 -22.020 28.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.164 -20.707 26.903 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.248 -21.245 25.509 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.787 -23.633 26.080 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.708 -23.091 27.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.379 -23.160 25.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.837 -21.593 25.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.359 -22.903 24.623 1.00 0.00 H new ATOM 429 N HIS A 49 -9.701 -22.440 29.887 1.00 0.00 N ATOM 430 CA HIS A 49 -10.043 -22.968 31.205 1.00 0.00 C ATOM 431 C HIS A 49 -8.893 -22.771 32.184 1.00 0.00 C ATOM 432 O HIS A 49 -9.110 -22.441 33.350 1.00 0.00 O ATOM 433 CB HIS A 49 -10.383 -24.457 31.099 1.00 0.00 C ATOM 434 CG HIS A 49 -11.682 -24.631 30.348 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.008 -25.814 29.703 1.00 0.00 N ATOM 436 CD2 HIS A 49 -12.738 -23.782 30.131 1.00 0.00 C ATOM 437 CE1 HIS A 49 -13.215 -25.645 29.134 1.00 0.00 C ATOM 438 NE2 HIS A 49 -13.705 -24.424 29.363 1.00 0.00 N ATOM 0 H HIS A 49 -9.560 -23.151 29.169 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.911 -22.423 31.577 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.581 -24.987 30.585 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.466 -24.893 32.095 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -11.437 -26.658 29.667 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -12.808 -22.769 30.500 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.726 -26.405 28.561 1.00 0.00 H new ATOM 445 N GLU A 50 -7.673 -22.982 31.705 1.00 0.00 N ATOM 446 CA GLU A 50 -6.498 -22.830 32.551 1.00 0.00 C ATOM 447 C GLU A 50 -6.454 -21.439 33.172 1.00 0.00 C ATOM 448 O GLU A 50 -6.344 -20.434 32.467 1.00 0.00 O ATOM 449 CB GLU A 50 -5.228 -23.065 31.730 1.00 0.00 C ATOM 450 CG GLU A 50 -5.141 -24.540 31.333 1.00 0.00 C ATOM 451 CD GLU A 50 -3.912 -24.772 30.461 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.226 -23.806 30.169 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.674 -25.912 30.099 1.00 0.00 O ATOM 0 H GLU A 50 -7.473 -23.257 30.743 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.556 -23.568 33.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.237 -22.438 30.839 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.350 -22.781 32.310 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.087 -25.163 32.226 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.041 -24.834 30.793 1.00 0.00 H new ATOM 567 N SER A 57 -0.554 -13.184 35.053 1.00 0.00 N ATOM 568 CA SER A 57 0.330 -13.362 33.907 1.00 0.00 C ATOM 569 C SER A 57 0.618 -14.839 33.661 1.00 0.00 C ATOM 570 O SER A 57 0.888 -15.248 32.532 1.00 0.00 O ATOM 571 CB SER A 57 1.645 -12.622 34.137 1.00 0.00 C ATOM 572 OG SER A 57 1.420 -11.223 34.030 1.00 0.00 O ATOM 0 HA SER A 57 -0.172 -12.953 33.030 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.044 -12.864 35.122 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.388 -12.940 33.405 1.00 0.00 H new ATOM 0 HG SER A 57 2.262 -10.744 34.179 1.00 0.00 H new ATOM 578 N GLU A 58 0.567 -15.642 34.720 1.00 0.00 N ATOM 579 CA GLU A 58 0.834 -17.072 34.584 1.00 0.00 C ATOM 580 C GLU A 58 0.130 -17.635 33.356 1.00 0.00 C ATOM 581 O GLU A 58 0.570 -18.628 32.778 1.00 0.00 O ATOM 582 CB GLU A 58 0.367 -17.826 35.831 1.00 0.00 C ATOM 583 CG GLU A 58 0.645 -19.319 35.657 1.00 0.00 C ATOM 584 CD GLU A 58 0.290 -20.064 36.937 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.311 -19.455 37.806 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.624 -21.233 37.030 1.00 0.00 O ATOM 0 H GLU A 58 0.347 -15.335 35.667 1.00 0.00 H new ATOM 0 HA GLU A 58 1.910 -17.204 34.469 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.885 -17.449 36.713 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.698 -17.660 35.992 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.062 -19.712 34.824 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.696 -19.476 35.414 1.00 0.00 H new ATOM 593 N PHE A 59 -0.965 -16.996 32.960 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.446 31.797 1.00 0.00 C ATOM 595 C PHE A 59 -1.046 -16.990 30.506 1.00 0.00 C ATOM 596 O PHE A 59 -0.549 -17.807 29.729 1.00 0.00 O ATOM 597 CB PHE A 59 -3.143 -16.891 31.855 1.00 0.00 C ATOM 598 CG PHE A 59 -3.860 -17.217 30.569 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.033 -18.552 30.185 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.355 -16.186 29.762 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.701 -18.856 28.993 1.00 0.00 C ATOM 602 CE2 PHE A 59 -5.024 -16.490 28.570 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.197 -17.825 28.186 1.00 0.00 C ATOM 0 H PHE A 59 -1.348 -16.172 33.423 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.750 -18.536 31.808 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.678 -17.321 32.702 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.119 -15.812 32.007 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.651 -19.347 30.808 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.221 -15.156 30.059 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.834 -19.886 28.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.406 -15.695 27.947 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.713 -18.060 27.267 1.00 0.00 H new ATOM 613 N TYR A 60 -1.035 -15.683 30.283 1.00 0.00 N ATOM 614 CA TYR A 60 -0.430 -15.125 29.084 1.00 0.00 C ATOM 615 C TYR A 60 1.036 -15.550 28.982 1.00 0.00 C ATOM 616 O TYR A 60 1.580 -15.687 27.885 1.00 0.00 O ATOM 617 CB TYR A 60 -0.522 -13.602 29.127 1.00 0.00 C ATOM 618 CG TYR A 60 -1.948 -13.181 29.342 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.444 -13.061 30.646 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.780 -12.911 28.249 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.772 -12.671 30.857 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.108 -12.521 28.460 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.604 -12.401 29.764 1.00 0.00 C ATOM 624 OH TYR A 60 -5.909 -12.014 29.968 1.00 0.00 O ATOM 0 H TYR A 60 -1.437 -14.992 30.916 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.965 -15.498 28.211 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.106 -13.214 29.929 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.146 -13.180 28.195 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.802 -13.269 31.489 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.398 -13.004 27.243 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.154 -12.578 31.863 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.750 -12.313 27.617 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.345 -11.866 29.103 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.760 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.064 -16.176 30.166 1.00 0.00 C ATOM 636 C ALA A 61 3.216 -17.593 29.621 1.00 0.00 C ATOM 637 O ALA A 61 4.302 -17.994 29.201 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.600 1.00 0.00 C ATOM 0 H ALA A 61 1.233 -15.650 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.640 -15.495 29.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.638 -16.429 31.615 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.515 -15.097 31.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.007 -16.783 32.232 1.00 0.00 H new ATOM 644 N LYS A 62 2.123 -18.348 29.634 1.00 0.00 N ATOM 645 CA LYS A 62 2.147 -19.718 29.138 1.00 0.00 C ATOM 646 C LYS A 62 1.788 -19.759 27.656 1.00 0.00 C ATOM 647 O LYS A 62 2.316 -20.577 26.902 1.00 0.00 O ATOM 648 CB LYS A 62 1.162 -20.580 29.932 1.00 0.00 C ATOM 649 CG LYS A 62 1.581 -22.049 29.845 1.00 0.00 C ATOM 650 CD LYS A 62 0.676 -22.893 30.745 1.00 0.00 C ATOM 651 CE LYS A 62 1.091 -24.362 30.655 1.00 0.00 C ATOM 652 NZ LYS A 62 0.006 -25.220 31.208 1.00 0.00 N ATOM 0 H LYS A 62 1.215 -18.037 29.980 1.00 0.00 H new ATOM 0 HA LYS A 62 3.155 -20.112 29.265 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.139 -20.259 30.973 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.154 -20.455 29.538 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.513 -22.397 28.814 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.621 -22.160 30.151 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.747 -22.547 31.776 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.365 -22.779 30.441 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.289 -24.632 29.618 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.016 -24.524 31.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.288 -26.219 31.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.163 -24.968 32.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.866 -25.073 30.661 1.00 0.00 H new ATOM 666 N ILE A 63 0.876 -18.883 27.246 1.00 0.00 N ATOM 667 CA ILE A 63 0.445 -18.845 25.853 1.00 0.00 C ATOM 668 C ILE A 63 1.608 -18.479 24.941 1.00 0.00 C ATOM 669 O ILE A 63 1.829 -19.124 23.917 1.00 0.00 O ATOM 670 CB ILE A 63 -0.671 -17.809 25.688 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.899 -18.241 26.500 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.054 -17.693 24.210 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.383 -19.625 26.047 1.00 0.00 C ATOM 0 H ILE A 63 0.425 -18.197 27.851 1.00 0.00 H new ATOM 0 HA ILE A 63 0.078 -19.834 25.577 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.318 -16.842 26.048 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.651 -18.265 27.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.511 26.377 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.848 -16.955 24.097 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.184 -17.381 23.632 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.403 -18.660 23.848 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.255 -19.916 26.634 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.652 -19.589 24.991 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.587 -20.355 26.194 1.00 0.00 H new ATOM 685 N ALA A 64 2.351 -17.448 25.322 1.00 0.00 N ATOM 686 CA ALA A 64 3.493 -17.011 24.530 1.00 0.00 C ATOM 687 C ALA A 64 4.592 -18.066 24.555 1.00 0.00 C ATOM 688 O ALA A 64 5.506 -18.046 23.731 1.00 0.00 O ATOM 689 CB ALA A 64 4.032 -15.688 25.076 1.00 0.00 C ATOM 0 H ALA A 64 2.185 -16.902 26.168 1.00 0.00 H new ATOM 0 HA ALA A 64 3.167 -16.868 23.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.886 -15.368 24.478 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.251 -14.929 25.028 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.344 -15.822 26.112 1.00 0.00 H new ATOM 695 N ARG A 65 4.500 -18.986 25.511 1.00 0.00 N ATOM 696 CA ARG A 65 5.492 -20.047 25.635 1.00 0.00 C ATOM 697 C ARG A 65 5.190 -21.186 24.666 1.00 0.00 C ATOM 698 O ARG A 65 6.080 -21.683 23.976 1.00 0.00 O ATOM 699 CB ARG A 65 5.510 -20.580 27.068 1.00 0.00 C ATOM 700 CG ARG A 65 6.615 -21.628 27.209 1.00 0.00 C ATOM 701 CD ARG A 65 6.618 -22.177 28.637 1.00 0.00 C ATOM 702 NE ARG A 65 7.026 -21.139 29.576 1.00 0.00 N ATOM 703 CZ ARG A 65 7.085 -21.379 30.882 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.453 -20.434 31.703 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.775 -22.560 31.343 1.00 0.00 N ATOM 0 H ARG A 65 3.754 -19.018 26.206 1.00 0.00 H new ATOM 0 HA ARG A 65 6.470 -19.632 25.390 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.678 -19.763 27.769 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.544 -21.019 27.316 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.456 -22.438 26.497 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.583 -21.185 26.976 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.624 -22.541 28.896 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.297 -23.027 28.706 1.00 0.00 H new ATOM 0 HE ARG A 65 7.270 -20.213 29.225 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.695 -19.511 31.343 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.498 -20.618 32.705 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.488 -23.299 30.701 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.820 -22.744 32.345 1.00 0.00 H new ATOM 719 N ILE A 66 3.926 -21.596 24.623 1.00 0.00 N ATOM 720 CA ILE A 66 3.510 -22.675 23.737 1.00 0.00 C ATOM 721 C ILE A 66 3.266 -22.147 22.329 1.00 0.00 C ATOM 722 O ILE A 66 3.259 -22.907 21.365 1.00 0.00 O ATOM 723 CB ILE A 66 2.238 -23.334 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.544 -24.022 25.604 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.738 -24.374 23.265 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.236 -24.450 26.270 1.00 0.00 C ATOM 0 H ILE A 66 3.176 -21.199 25.189 1.00 0.00 H new ATOM 0 HA ILE A 66 4.308 -23.416 23.699 1.00 0.00 H new ATOM 0 HB ILE A 66 1.470 -22.574 24.419 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.181 -24.891 25.439 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.092 -23.344 26.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.831 -24.843 23.647 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.522 -23.886 22.315 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.505 -25.134 23.116 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.454 -24.940 27.219 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.615 -23.572 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.705 -25.143 25.617 1.00 0.00 H new ATOM 738 N GLY A 67 3.062 -20.840 22.216 1.00 0.00 N ATOM 739 CA GLY A 67 2.816 -20.225 20.917 1.00 0.00 C ATOM 740 C GLY A 67 4.117 -20.073 20.133 1.00 0.00 C ATOM 741 O GLY A 67 4.108 -19.846 18.930 1.00 0.00 O ATOM 0 H GLY A 67 3.062 -20.189 23.002 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.113 -20.834 20.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.353 -19.248 21.054 1.00 0.00 H new ATOM 745 N TYR A 68 5.239 -20.192 20.823 1.00 0.00 N ATOM 746 CA TYR A 68 6.541 -20.066 20.172 1.00 0.00 C ATOM 747 C TYR A 68 7.287 -21.394 20.208 1.00 0.00 C ATOM 748 O TYR A 68 8.348 -21.536 19.603 1.00 0.00 O ATOM 749 CB TYR A 68 7.370 -18.989 20.869 1.00 0.00 C ATOM 750 CG TYR A 68 8.786 -19.034 20.351 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.044 -18.804 18.994 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.844 -19.304 21.228 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.359 -18.843 18.515 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.158 -19.344 20.749 1.00 0.00 C ATOM 755 CZ TYR A 68 11.416 -19.113 19.392 1.00 0.00 C ATOM 756 OH TYR A 68 12.712 -19.152 18.919 1.00 0.00 O ATOM 0 H TYR A 68 5.280 -20.374 21.826 1.00 0.00 H new ATOM 0 HA TYR A 68 6.382 -19.782 19.132 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.936 -18.006 20.688 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.360 -19.148 21.947 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.229 -18.597 18.317 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.645 -19.481 22.275 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.558 -18.665 17.469 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.973 -19.553 21.426 1.00 0.00 H new ATOM 0 HH TYR A 68 13.324 -19.351 19.658 1.00 0.00 H new ATOM 766 N GLU A 69 6.726 -22.364 20.923 1.00 0.00 N ATOM 767 CA GLU A 69 7.348 -23.682 21.035 1.00 0.00 C ATOM 768 C GLU A 69 6.545 -24.723 20.264 1.00 0.00 C ATOM 769 O GLU A 69 6.868 -25.909 20.289 1.00 0.00 O ATOM 770 CB GLU A 69 7.441 -24.090 22.506 1.00 0.00 C ATOM 771 CG GLU A 69 8.444 -23.183 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.480 -23.520 24.709 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.767 -24.426 25.108 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.221 -22.868 25.427 1.00 0.00 O ATOM 0 H GLU A 69 5.847 -22.265 21.431 1.00 0.00 H new ATOM 0 HA GLU A 69 8.350 -23.628 20.609 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.462 -24.013 22.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.753 -25.131 22.587 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.436 -23.309 22.789 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.166 -22.138 23.085 1.00 0.00 H new ATOM 781 N ASP A 70 5.498 -24.270 19.580 1.00 0.00 N ATOM 782 CA ASP A 70 4.656 -25.174 18.802 1.00 0.00 C ATOM 783 C ASP A 70 4.190 -24.499 17.516 1.00 0.00 C ATOM 784 O ASP A 70 4.242 -25.093 16.439 1.00 0.00 O ATOM 785 CB ASP A 70 3.437 -25.598 19.627 1.00 0.00 C ATOM 786 CG ASP A 70 3.857 -26.583 20.713 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.941 -27.131 20.599 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.090 -26.774 21.643 1.00 0.00 O ATOM 0 H ASP A 70 5.214 -23.291 19.548 1.00 0.00 H new ATOM 0 HA ASP A 70 5.245 -26.055 18.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.972 -24.722 20.079 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.690 -26.056 18.978 1.00 0.00 H new ATOM 793 N GLU A 71 3.731 -23.257 17.636 1.00 0.00 N ATOM 794 CA GLU A 71 3.254 -22.518 16.472 1.00 0.00 C ATOM 795 C GLU A 71 4.416 -21.830 15.765 1.00 0.00 C ATOM 796 O GLU A 71 4.325 -21.494 14.585 1.00 0.00 O ATOM 797 CB GLU A 71 2.224 -21.474 16.904 1.00 0.00 C ATOM 798 CG GLU A 71 1.091 -22.154 17.664 1.00 0.00 C ATOM 799 CD GLU A 71 0.375 -23.156 16.763 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.517 -23.040 15.557 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.302 -24.024 17.290 1.00 0.00 O ATOM 0 H GLU A 71 3.679 -22.746 18.517 1.00 0.00 H new ATOM 0 HA GLU A 71 2.788 -23.221 15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.697 -20.721 17.534 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.829 -20.956 16.030 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.488 -22.663 18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.383 -21.406 18.022 1.00 0.00 H new ATOM 808 N GLY A 72 5.509 -21.628 16.493 1.00 0.00 N ATOM 809 CA GLY A 72 6.686 -20.985 15.922 1.00 0.00 C ATOM 810 C GLY A 72 6.333 -19.636 15.312 1.00 0.00 C ATOM 811 O GLY A 72 6.772 -19.308 14.209 1.00 0.00 O ATOM 0 H GLY A 72 5.604 -21.898 17.472 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.442 -20.851 16.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.122 -21.630 15.159 1.00 0.00 H new ATOM 893 N GLU A 78 5.484 -11.666 27.996 1.00 0.00 N ATOM 894 CA GLU A 78 4.317 -11.532 28.859 1.00 0.00 C ATOM 895 C GLU A 78 3.491 -10.313 28.466 1.00 0.00 C ATOM 896 O GLU A 78 2.320 -10.437 28.109 1.00 0.00 O ATOM 897 CB GLU A 78 4.762 -11.391 30.317 1.00 0.00 C ATOM 898 CG GLU A 78 5.384 -12.705 30.792 1.00 0.00 C ATOM 899 CD GLU A 78 5.910 -12.548 32.215 1.00 0.00 C ATOM 900 OE1 GLU A 78 6.451 -13.510 32.735 1.00 0.00 O ATOM 901 OE2 GLU A 78 5.764 -11.468 32.764 1.00 0.00 O ATOM 0 HA GLU A 78 3.703 -12.426 28.745 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.484 -10.580 30.411 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.909 -11.132 30.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.642 -13.502 30.756 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.196 -12.995 30.125 1.00 0.00 H new ATOM 908 N SER A 79 4.103 -9.135 28.532 1.00 0.00 N ATOM 909 CA SER A 79 3.396 -7.906 28.186 1.00 0.00 C ATOM 910 C SER A 79 2.832 -7.989 26.771 1.00 0.00 C ATOM 911 O SER A 79 1.647 -7.744 26.553 1.00 0.00 O ATOM 912 CB SER A 79 4.353 -6.718 28.273 1.00 0.00 C ATOM 913 OG SER A 79 3.604 -5.515 28.379 1.00 0.00 O ATOM 0 H SER A 79 5.073 -9.005 28.818 1.00 0.00 H new ATOM 0 HA SER A 79 2.574 -7.774 28.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.009 -6.828 29.136 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.991 -6.685 27.390 1.00 0.00 H new ATOM 0 HG SER A 79 4.217 -4.752 28.437 1.00 0.00 H new ATOM 919 N ALA A 80 3.683 -8.343 25.815 1.00 0.00 N ATOM 920 CA ALA A 80 3.248 -8.456 24.425 1.00 0.00 C ATOM 921 C ALA A 80 2.105 -9.461 24.308 1.00 0.00 C ATOM 922 O ALA A 80 1.265 -9.364 23.413 1.00 0.00 O ATOM 923 CB ALA A 80 4.431 -8.896 23.546 1.00 0.00 C ATOM 0 H ALA A 80 4.668 -8.555 25.972 1.00 0.00 H new ATOM 0 HA ALA A 80 2.891 -7.484 24.085 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.103 -8.979 22.510 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.230 -8.158 23.615 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.799 -9.863 23.889 1.00 0.00 H new ATOM 929 N CYS A 81 2.077 -10.426 25.217 1.00 0.00 N ATOM 930 CA CYS A 81 1.034 -11.439 25.204 1.00 0.00 C ATOM 931 C CYS A 81 -0.300 -10.848 25.649 1.00 0.00 C ATOM 932 O CYS A 81 -1.346 -11.487 25.530 1.00 0.00 O ATOM 933 CB CYS A 81 1.423 -12.588 26.123 1.00 0.00 C ATOM 934 SG CYS A 81 0.337 -14.006 25.809 1.00 0.00 S ATOM 0 H CYS A 81 2.760 -10.528 25.968 1.00 0.00 H new ATOM 0 HA CYS A 81 0.923 -11.810 24.185 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.463 -12.868 25.953 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.342 -12.278 27.165 1.00 0.00 H new ATOM 0 HG CYS A 81 0.779 -15.043 26.457 1.00 0.00 H new ATOM 940 N ARG A 82 -0.254 -9.622 26.160 1.00 0.00 N ATOM 941 CA ARG A 82 -1.461 -8.948 26.617 1.00 0.00 C ATOM 942 C ARG A 82 -1.873 -7.872 25.638 1.00 0.00 C ATOM 943 O ARG A 82 -3.034 -7.499 25.604 1.00 0.00 O ATOM 944 CB ARG A 82 -1.227 -8.318 27.988 1.00 0.00 C ATOM 945 CG ARG A 82 -1.109 -9.419 29.044 1.00 0.00 C ATOM 946 CD ARG A 82 -2.503 -9.794 29.552 1.00 0.00 C ATOM 947 NE ARG A 82 -3.173 -8.616 30.092 1.00 0.00 N ATOM 948 CZ ARG A 82 -2.940 -8.201 31.333 1.00 0.00 C ATOM 949 NH1 ARG A 82 -3.552 -7.144 31.793 1.00 0.00 N ATOM 950 NH2 ARG A 82 -2.099 -8.850 32.091 1.00 0.00 N ATOM 0 H ARG A 82 0.602 -9.078 26.267 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.257 -9.690 26.688 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.319 -7.716 27.973 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.050 -7.648 28.237 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.618 -10.294 28.618 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.489 -9.077 29.873 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.093 -10.217 28.739 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.424 -10.562 30.322 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.832 -8.102 29.507 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.209 -6.637 31.200 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.373 -6.825 32.745 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.620 -9.676 31.731 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.920 -8.531 33.043 1.00 0.00 H new ATOM 964 N ASN A 83 -0.916 -7.376 24.853 1.00 0.00 N ATOM 965 CA ASN A 83 -1.199 -6.331 23.867 1.00 0.00 C ATOM 966 C ASN A 83 -1.686 -6.943 22.561 1.00 0.00 C ATOM 967 O ASN A 83 -2.671 -6.493 21.976 1.00 0.00 O ATOM 968 CB ASN A 83 0.060 -5.509 23.606 1.00 0.00 C ATOM 969 CG ASN A 83 0.626 -4.998 24.926 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.111 -4.473 25.760 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.902 -5.125 25.168 1.00 0.00 N ATOM 0 H ASN A 83 0.058 -7.679 24.880 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.981 -5.685 24.265 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.804 -6.119 23.093 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.172 -4.670 22.950 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.290 -4.789 26.049 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.512 -5.560 24.476 1.00 0.00 H new ATOM 978 N GLN A 84 -0.991 -7.974 22.103 1.00 0.00 N ATOM 979 CA GLN A 84 -1.374 -8.629 20.866 1.00 0.00 C ATOM 980 C GLN A 84 -2.824 -9.107 20.939 1.00 0.00 C ATOM 981 O GLN A 84 -3.674 -8.699 20.138 1.00 0.00 O ATOM 982 CB GLN A 84 -0.410 -9.825 20.587 1.00 0.00 C ATOM 983 CG GLN A 84 -1.098 -11.218 20.685 1.00 0.00 C ATOM 984 CD GLN A 84 -0.906 -11.796 22.091 1.00 0.00 C ATOM 985 OE1 GLN A 84 -1.573 -11.408 23.050 1.00 0.00 O ATOM 986 NE2 GLN A 84 -0.011 -12.733 22.251 1.00 0.00 N ATOM 0 H GLN A 84 -0.171 -8.369 22.563 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.298 -7.916 20.046 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.019 -9.710 19.591 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.417 -9.787 21.296 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.161 -11.125 20.463 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.675 -11.895 19.943 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.540 -13.053 21.455 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.137 -13.145 23.172 1.00 0.00 H new ATOM 995 N ILE A 85 -3.078 -10.011 21.888 1.00 0.00 N ATOM 996 CA ILE A 85 -4.386 -10.605 22.044 1.00 0.00 C ATOM 997 C ILE A 85 -5.412 -9.521 22.214 1.00 0.00 C ATOM 998 O ILE A 85 -6.508 -9.601 21.664 1.00 0.00 O ATOM 999 CB ILE A 85 -4.409 -11.576 23.242 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.894 -12.965 22.820 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.834 -11.710 23.775 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.286 -13.679 24.033 1.00 0.00 C ATOM 0 H ILE A 85 -2.384 -10.342 22.558 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.623 -11.181 21.149 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.761 -11.176 24.022 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.711 -13.557 22.409 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.147 -12.863 22.033 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.843 -12.397 24.621 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.195 -10.733 24.097 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.482 -12.095 22.988 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.922 -14.662 23.732 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.457 -13.089 24.424 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.046 -13.794 24.806 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.046 -8.508 22.967 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.953 -7.403 23.192 1.00 0.00 C ATOM 1016 C ILE A 86 -6.271 -6.701 21.879 1.00 0.00 C ATOM 1017 O ILE A 86 -7.413 -6.352 21.615 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.321 -6.386 24.179 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.877 -6.604 25.605 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.591 -4.931 23.738 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.567 -5.378 26.484 1.00 0.00 C ATOM 0 H ILE A 86 -4.140 -8.425 23.429 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.875 -7.797 23.619 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.244 -6.553 24.178 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.954 -6.769 25.563 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.434 -7.498 26.044 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.135 -4.244 24.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.163 -4.765 22.749 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.666 -4.755 23.702 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.962 -5.540 27.487 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.488 -5.233 26.538 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.031 -4.492 26.050 1.00 0.00 H new ATOM 1033 N SER A 87 -5.252 -6.460 21.079 1.00 0.00 N ATOM 1034 CA SER A 87 -5.453 -5.762 19.823 1.00 0.00 C ATOM 1035 C SER A 87 -6.445 -6.516 18.954 1.00 0.00 C ATOM 1036 O SER A 87 -7.341 -5.916 18.353 1.00 0.00 O ATOM 1037 CB SER A 87 -4.133 -5.633 19.092 1.00 0.00 C ATOM 1038 OG SER A 87 -4.394 -5.272 17.741 1.00 0.00 O ATOM 0 H SER A 87 -4.288 -6.732 21.271 1.00 0.00 H new ATOM 0 HA SER A 87 -5.850 -4.769 20.033 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.508 -4.879 19.571 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.585 -6.574 19.133 1.00 0.00 H new ATOM 0 HG SER A 87 -3.547 -5.184 17.256 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.277 -7.832 18.897 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.162 -8.662 18.104 1.00 0.00 C ATOM 1046 C ILE A 88 -8.615 -8.449 18.538 1.00 0.00 C ATOM 1047 O ILE A 88 -9.541 -8.602 17.755 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.802 -10.136 18.257 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.352 -10.340 17.837 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.712 -10.988 17.369 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.909 -11.761 18.183 1.00 0.00 C ATOM 0 H ILE A 88 -5.541 -8.340 19.388 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.047 -8.376 17.059 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.934 -10.436 19.297 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.246 -10.167 16.766 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.712 -9.616 18.342 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.450 -12.040 17.483 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.751 -10.839 17.663 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.584 -10.693 16.328 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.871 -11.902 17.881 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.999 -11.918 19.258 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.541 -12.477 17.657 1.00 0.00 H new ATOM 1063 N MET A 89 -8.815 -8.117 19.803 1.00 0.00 N ATOM 1064 CA MET A 89 -10.170 -7.899 20.310 1.00 0.00 C ATOM 1065 C MET A 89 -10.780 -6.630 19.717 1.00 0.00 C ATOM 1066 O MET A 89 -11.893 -6.651 19.191 1.00 0.00 O ATOM 1067 CB MET A 89 -10.135 -7.774 21.832 1.00 0.00 C ATOM 1068 CG MET A 89 -9.686 -9.098 22.446 1.00 0.00 C ATOM 1069 SD MET A 89 -10.913 -10.376 22.084 1.00 0.00 S ATOM 1070 CE MET A 89 -12.207 -9.762 23.188 1.00 0.00 C ATOM 0 H MET A 89 -8.073 -7.993 20.492 1.00 0.00 H new ATOM 0 HA MET A 89 -10.784 -8.751 20.018 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.453 -6.976 22.126 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.122 -7.504 22.207 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.715 -9.387 22.044 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.565 -8.989 23.524 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.841 -10.591 23.502 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.750 -9.303 24.064 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.811 -9.022 22.664 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.040 -5.528 19.802 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.521 -4.254 19.277 1.00 0.00 C ATOM 1082 C ARG A 90 -11.025 -4.429 17.852 1.00 0.00 C ATOM 1083 O ARG A 90 -12.060 -3.884 17.478 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.393 -3.221 19.304 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.929 -1.864 18.846 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.801 -0.831 18.879 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.766 -1.181 17.913 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.842 -0.778 16.648 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.903 -1.103 15.802 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.855 -0.057 16.253 1.00 0.00 N ATOM 0 H ARG A 90 -9.113 -5.491 20.226 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.343 -3.905 19.902 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.984 -3.141 20.311 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.579 -3.540 18.654 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.334 -1.943 17.837 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.746 -1.547 19.494 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.198 0.159 18.654 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.372 -0.782 19.880 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.970 -1.744 18.213 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.111 -1.666 16.111 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.961 -0.794 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.589 0.198 16.914 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.913 0.252 15.283 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.293 -5.192 17.060 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.686 -5.431 15.682 1.00 0.00 C ATOM 1106 C VAL A 91 -11.961 -6.275 15.608 1.00 0.00 C ATOM 1107 O VAL A 91 -12.827 -6.056 14.748 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.531 -6.129 14.941 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.192 -5.441 15.343 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.473 -7.655 15.270 1.00 0.00 C ATOM 0 H VAL A 91 -9.429 -5.654 17.344 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.900 -4.474 15.205 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.696 -6.036 13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.364 -5.926 14.825 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.227 -4.387 15.066 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.047 -5.528 16.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.645 -8.113 14.728 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.325 -7.791 16.341 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.408 -8.128 14.970 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.046 -7.262 16.502 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.169 -8.166 16.532 1.00 0.00 C ATOM 1122 C TYR A 92 -14.425 -7.403 16.857 1.00 0.00 C ATOM 1123 O TYR A 92 -15.462 -7.625 16.248 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.939 -9.281 17.559 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.191 -10.116 17.681 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.520 -11.046 16.688 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.026 -9.954 18.793 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.684 -11.814 16.806 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.191 -10.722 18.911 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.520 -11.652 17.918 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.667 -12.410 18.033 1.00 0.00 O ATOM 0 H TYR A 92 -11.339 -7.446 17.214 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.276 -8.628 15.550 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.100 -9.906 17.252 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.679 -8.852 18.527 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.875 -11.171 15.831 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.772 -9.237 19.560 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.938 -12.532 16.040 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.836 -10.597 19.768 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.132 -12.175 18.863 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.317 -6.492 17.815 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.455 -5.681 18.219 1.00 0.00 C ATOM 1143 C GLU A 93 -15.793 -4.644 17.149 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.345 16.910 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.154 -4.978 19.543 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.989 -6.025 20.647 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.299 -6.778 20.855 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.326 -6.266 20.440 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.257 -7.856 21.426 1.00 0.00 O ATOM 0 H GLU A 93 -13.455 -6.297 18.325 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.314 -6.340 18.346 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.246 -4.382 19.453 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.962 -4.291 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.197 -6.725 20.380 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.687 -5.541 21.576 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.760 -4.097 16.514 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.959 -3.091 15.475 1.00 0.00 C ATOM 1158 C GLN A 94 -15.682 -3.688 14.273 1.00 0.00 C ATOM 1159 O GLN A 94 -16.710 -3.171 13.836 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.609 -2.527 15.032 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.134 -1.476 16.037 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.735 -0.995 15.667 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.261 0.007 16.201 1.00 0.00 O ATOM 1164 NE2 GLN A 94 -11.042 -1.655 14.779 1.00 0.00 N ATOM 0 H GLN A 94 -13.784 -4.331 16.698 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.572 -2.290 15.887 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.876 -3.330 14.957 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.697 -2.082 14.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.826 -0.634 16.049 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.128 -1.898 17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.437 -2.485 14.338 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.105 -1.340 14.526 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.141 -4.782 13.749 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.744 -5.446 12.599 1.00 0.00 C ATOM 1175 C ARG A 95 -17.048 -6.126 12.996 1.00 0.00 C ATOM 1176 O ARG A 95 -17.817 -6.567 12.141 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.776 -6.478 12.018 1.00 0.00 C ATOM 1178 CG ARG A 95 -13.655 -5.762 11.262 1.00 0.00 C ATOM 1179 CD ARG A 95 -12.674 -6.796 10.706 1.00 0.00 C ATOM 1180 NE ARG A 95 -11.624 -6.134 9.941 1.00 0.00 N ATOM 1181 CZ ARG A 95 -11.785 -5.859 8.651 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -10.831 -5.267 7.985 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -12.897 -6.182 8.049 1.00 0.00 N ATOM 0 H ARG A 95 -14.292 -5.226 14.099 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.959 -4.692 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.357 -7.089 12.818 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -15.308 -7.153 11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -14.072 -5.167 10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -13.135 -5.073 11.928 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.234 -7.367 11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.204 -7.506 10.071 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.752 -5.878 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.961 -5.015 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.955 -5.056 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.642 -6.645 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.021 -5.971 7.059 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.295 -6.202 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.519 -6.816 14.803 1.00 0.00 C ATOM 1199 C LEU A 96 -19.696 -5.854 14.701 1.00 0.00 C ATOM 1200 O LEU A 96 -20.827 -6.266 14.447 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.334 -7.256 16.256 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.649 -7.790 16.813 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.157 -8.920 15.917 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.414 -8.328 18.226 1.00 0.00 C ATOM 0 H LEU A 96 -16.668 -5.848 15.021 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.733 -7.691 14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.565 -8.026 16.316 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.990 -6.415 16.858 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.388 -6.990 16.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.097 -9.304 16.313 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.316 -8.540 14.908 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.420 -9.723 15.891 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.351 -8.711 18.630 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.678 -9.131 18.192 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.045 -7.525 18.864 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.424 -4.572 14.921 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.560 14.868 1.00 0.00 C ATOM 1218 C ALA A 97 -20.722 -3.123 13.431 1.00 0.00 C ATOM 1219 O ALA A 97 -21.827 -2.704 13.085 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.065 -2.346 15.706 1.00 0.00 C ATOM 0 H ALA A 97 -18.494 -4.212 15.136 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.387 -3.992 15.270 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.852 -1.594 15.662 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.914 -2.652 16.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.139 -1.926 15.313 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.690 -3.219 12.601 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.811 -2.826 11.202 1.00 0.00 C ATOM 1228 C HIS A 98 -20.354 -3.977 10.363 1.00 0.00 C ATOM 1229 O HIS A 98 -19.728 -5.032 10.254 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.445 -2.402 10.662 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.999 -1.145 11.357 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.303 -1.170 12.555 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -18.142 0.182 11.034 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -17.055 0.105 12.907 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -17.546 0.970 12.015 1.00 0.00 N ATOM 0 H HIS A 98 -18.768 -3.562 12.869 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.506 -1.989 11.139 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.716 -3.197 10.822 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.503 -2.235 9.587 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.029 -2.003 13.075 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.641 0.557 10.153 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.524 0.394 13.802 1.00 0.00 H new ATOM 1343 N THR A 105 -18.073 -13.593 2.299 1.00 0.00 N ATOM 1344 CA THR A 105 -17.604 -14.277 3.498 1.00 0.00 C ATOM 1345 C THR A 105 -16.329 -15.060 3.206 1.00 0.00 C ATOM 1346 O THR A 105 -15.983 -15.292 2.047 1.00 0.00 O ATOM 1347 CB THR A 105 -18.684 -15.230 4.012 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.896 -16.261 3.058 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.987 -14.459 4.229 1.00 0.00 C ATOM 0 HA THR A 105 -17.389 -13.527 4.259 1.00 0.00 H new ATOM 0 HB THR A 105 -18.362 -15.668 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.769 -15.902 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.756 -15.139 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.824 -13.668 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 105 -20.311 -14.019 3.286 1.00 0.00 H new ATOM 1357 N THR A 106 -15.635 -15.470 4.262 1.00 0.00 N ATOM 1358 CA THR A 106 -14.402 -16.230 4.102 1.00 0.00 C ATOM 1359 C THR A 106 -14.252 -17.236 5.247 1.00 0.00 C ATOM 1360 O THR A 106 -14.763 -17.016 6.345 1.00 0.00 O ATOM 1361 CB THR A 106 -13.200 -15.277 4.077 1.00 0.00 C ATOM 1362 OG1 THR A 106 -12.791 -14.994 5.406 1.00 0.00 O ATOM 1363 CG2 THR A 106 -13.590 -13.981 3.366 1.00 0.00 C ATOM 0 H THR A 106 -15.903 -15.291 5.230 1.00 0.00 H new ATOM 0 HA THR A 106 -14.442 -16.775 3.159 1.00 0.00 H new ATOM 0 HB THR A 106 -12.375 -15.745 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.848 -14.728 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.736 -13.304 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 106 -13.897 -14.205 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 106 -14.416 -13.509 3.898 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.579 -18.338 5.017 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.391 -19.383 6.065 1.00 0.00 C ATOM 1373 C PRO A 107 -12.401 -18.948 7.145 1.00 0.00 C ATOM 1374 O PRO A 107 -12.585 -19.247 8.325 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.858 -20.586 5.285 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.214 -20.020 4.063 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.934 -18.712 3.747 1.00 0.00 C ATOM 0 HA PRO A 107 -14.316 -19.594 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.141 -21.152 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.664 -21.271 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.152 -19.845 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.293 -20.716 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.236 -17.944 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.667 -18.843 2.951 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.352 -18.244 6.734 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.341 -17.783 7.678 1.00 0.00 C ATOM 1387 C GLU A 108 -10.916 -16.723 8.610 1.00 0.00 C ATOM 1388 O GLU A 108 -10.765 -16.806 9.829 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.144 -17.200 6.921 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.444 -18.307 6.123 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.104 -18.466 4.757 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.104 -17.808 4.524 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.599 -19.244 3.965 1.00 0.00 O ATOM 0 H GLU A 108 -11.180 -17.982 5.763 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.016 -18.636 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.477 -16.410 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.444 -16.747 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.388 -18.065 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.493 -19.248 6.671 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.580 -15.731 8.030 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.173 -14.660 8.821 1.00 0.00 C ATOM 1402 C GLU A 109 -13.260 -15.221 9.735 1.00 0.00 C ATOM 1403 O GLU A 109 -13.463 -14.737 10.850 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.767 -13.589 7.891 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.199 -13.968 7.495 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.685 -13.083 6.354 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -13.984 -12.146 6.011 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -15.756 -13.359 5.839 1.00 0.00 O ATOM 0 H GLU A 109 -11.721 -15.646 7.023 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.397 -14.205 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.764 -12.620 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.149 -13.489 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.235 -15.015 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.861 -13.861 8.354 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.966 -16.237 9.246 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.040 -16.847 10.019 1.00 0.00 C ATOM 1417 C ASP A 110 -14.480 -17.538 11.257 1.00 0.00 C ATOM 1418 O ASP A 110 -14.999 -17.366 12.360 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.793 -17.867 9.153 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.867 -17.164 8.321 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.053 -15.974 8.515 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.485 -17.828 7.505 1.00 0.00 O ATOM 0 H ASP A 110 -13.815 -16.651 8.326 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.728 -16.063 10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.094 -18.383 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.253 -18.625 9.788 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.421 -18.316 11.067 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.804 -19.029 12.178 1.00 0.00 C ATOM 1429 C GLU A 111 -12.336 -18.053 13.250 1.00 0.00 C ATOM 1430 O GLU A 111 -12.648 -18.216 14.430 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.607 -19.838 11.676 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.003 -20.630 12.836 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.831 -21.471 12.340 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.396 -21.245 11.222 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.385 -22.328 13.084 1.00 0.00 O ATOM 0 H GLU A 111 -12.975 -18.468 10.162 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.547 -19.699 12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.920 -20.517 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.858 -19.172 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.667 -19.948 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.761 -21.275 13.281 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.591 -17.036 12.834 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.084 -16.046 13.775 1.00 0.00 C ATOM 1444 C LEU A 112 -12.232 -15.449 14.581 1.00 0.00 C ATOM 1445 O LEU A 112 -12.123 -15.274 15.794 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.364 -14.928 13.013 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.865 -13.867 13.999 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.938 -14.519 15.028 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.101 -12.782 13.238 1.00 0.00 C ATOM 0 H LEU A 112 -11.327 -16.876 11.862 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.386 -16.534 14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.525 -15.340 12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.041 -14.475 12.288 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.717 -13.420 14.511 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.584 -13.763 15.729 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.483 -15.291 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.086 -14.968 14.517 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.746 -12.027 13.939 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.250 -13.229 12.724 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.762 -12.316 12.507 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.328 -15.136 13.903 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.487 -14.561 14.576 1.00 0.00 C ATOM 1463 C ASP A 113 -15.007 -15.510 15.650 1.00 0.00 C ATOM 1464 O ASP A 113 -15.318 -15.090 16.764 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.281 13.553 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.380 -12.920 12.890 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.668 -12.113 13.463 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -15.927 -12.708 11.820 1.00 0.00 O ATOM 0 H ASP A 113 -13.440 -15.268 12.898 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.186 -13.627 15.050 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.606 -15.064 12.795 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.568 -14.302 14.046 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.096 -16.791 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.582 -17.787 16.260 1.00 0.00 C ATOM 1475 C GLN A 114 -14.655 -17.875 17.467 1.00 0.00 C ATOM 1476 O GLN A 114 -15.111 -17.903 18.610 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.661 -19.155 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.728 -19.124 14.486 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.101 -18.885 15.103 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.503 -19.600 16.021 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.850 -17.916 14.652 1.00 0.00 N ATOM 0 H GLN A 114 -14.841 -17.162 14.396 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.574 -17.486 16.597 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.693 -19.416 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.902 -19.923 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.501 -18.336 13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.726 -20.066 13.938 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.515 -17.325 13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.770 -17.750 15.060 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.355 -17.922 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.378 -18.013 18.281 1.00 0.00 C ATOM 1492 C LEU A 115 -12.500 -16.813 19.212 1.00 0.00 C ATOM 1493 O LEU A 115 -12.435 -16.954 20.433 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.969 -18.059 17.696 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.773 -19.358 16.910 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.425 -19.319 16.181 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.802 -20.555 17.871 1.00 0.00 C ATOM 0 H LEU A 115 -12.956 -17.899 16.269 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.569 -18.924 18.848 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.809 -17.201 17.043 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.231 -17.993 18.496 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.577 -19.462 16.181 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.287 -20.244 15.622 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.408 -18.473 15.493 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.621 -19.211 16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.662 -21.477 17.307 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.002 -20.453 18.604 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.763 -20.586 18.385 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.681 -15.634 18.630 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.818 -14.418 19.423 1.00 0.00 C ATOM 1511 C CYS A 116 -14.069 -14.485 20.292 1.00 0.00 C ATOM 1512 O CYS A 116 -14.053 -14.076 21.453 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.903 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.332 -12.994 17.627 1.00 0.00 S ATOM 0 H CYS A 116 -12.736 -15.494 17.621 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.945 -14.325 20.068 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.714 -13.333 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.131 -12.307 19.078 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.242 -13.878 16.679 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.154 -15.003 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.407 -15.118 20.462 1.00 0.00 C ATOM 1522 C ASP A 117 -16.232 -16.024 21.676 1.00 0.00 C ATOM 1523 O ASP A 117 -16.684 -15.699 22.774 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.496 -15.689 19.551 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.810 -15.805 20.318 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.797 -15.569 21.515 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.809 -16.130 19.697 1.00 0.00 O ATOM 0 H ASP A 117 -15.191 -15.347 18.766 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.700 -14.125 20.802 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.629 -15.045 18.681 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.194 -16.668 19.180 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.576 -17.162 21.472 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.355 -18.107 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.494 -17.474 23.648 1.00 0.00 C ATOM 1535 O GLU A 118 -14.800 -17.580 24.836 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.667 -19.364 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.667 -20.446 23.103 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.214 -21.775 22.509 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.197 -21.880 21.294 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.892 -22.668 23.276 1.00 0.00 O ATOM 0 H GLU A 118 -15.192 -17.450 20.572 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.320 -18.378 22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.185 -19.723 21.133 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.644 -19.133 21.724 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.004 -20.157 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.666 -20.549 23.526 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.420 -16.810 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.525 -16.156 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.249 -15.029 24.912 1.00 0.00 C ATOM 1550 O TRP A 119 -13.067 -14.835 26.114 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.304 -15.597 23.450 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.509 -14.745 24.387 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.367 -13.403 24.286 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.746 -15.150 25.560 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.566 -12.959 25.323 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.158 -13.999 26.135 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.509 -16.393 26.175 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.363 -14.077 27.279 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.710 -16.476 27.327 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.138 -15.320 27.878 1.00 0.00 C ATOM 0 H TRP A 119 -13.149 -16.711 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.199 -16.895 24.914 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.688 -16.413 23.072 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.621 -15.010 22.588 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.807 -12.780 23.521 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.308 -11.983 25.470 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.944 -17.289 25.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.925 -13.184 27.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.535 -17.435 27.791 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.524 -15.390 28.764 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.067 -14.286 24.174 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.178 24.758 1.00 0.00 C ATOM 1573 C LYS A 120 -15.763 -13.686 25.837 1.00 0.00 C ATOM 1574 O LYS A 120 -15.957 -13.034 26.863 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.452 23.671 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.288 -11.219 24.271 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.036 -10.462 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.701 -9.220 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.413 -8.472 22.694 1.00 0.00 N ATOM 0 H LYS A 120 -14.229 -14.429 23.177 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.106 -12.483 25.210 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.156 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.121 23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.981 -11.518 25.057 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.544 -10.570 24.732 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.345 -10.172 22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.788 -11.108 22.718 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.403 -9.511 24.551 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.951 -8.581 24.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.705 -7.541 23.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.778 -8.345 21.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.254 -9.007 22.397 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.354 -14.853 25.598 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.282 -15.437 26.559 1.00 0.00 C ATOM 1595 C ALA A 121 -16.560 -15.792 27.855 1.00 0.00 C ATOM 1596 O ALA A 121 -17.065 -15.536 28.949 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.917 -16.696 25.968 1.00 0.00 C ATOM 0 H ALA A 121 -16.208 -15.408 24.755 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.058 -14.704 26.778 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.609 -17.128 26.691 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.457 -16.438 25.057 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.138 -17.421 25.734 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.378 -16.383 27.724 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.598 -16.772 28.891 1.00 0.00 C ATOM 1605 C ARG A 122 -14.268 -15.547 29.738 1.00 0.00 C ATOM 1606 O ARG A 122 -14.353 -15.586 30.965 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.300 -17.456 28.450 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.556 -17.977 29.688 1.00 0.00 C ATOM 1609 CD ARG A 122 -13.202 -19.289 30.175 1.00 0.00 C ATOM 1610 NE ARG A 122 -13.496 -19.197 31.598 1.00 0.00 N ATOM 1611 CZ ARG A 122 -12.643 -19.649 32.512 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -12.938 -19.559 33.780 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -11.511 -20.182 32.141 1.00 0.00 N ATOM 0 H ARG A 122 -14.942 -16.602 26.828 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.188 -17.468 29.487 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.522 -18.280 27.771 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.672 -16.753 27.903 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.506 -18.146 29.448 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.586 -17.230 30.482 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -14.118 -19.483 29.617 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -12.531 -20.127 29.987 1.00 0.00 H new ATOM 0 HE ARG A 122 -14.375 -18.777 31.900 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -13.823 -19.142 34.069 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.284 -19.906 34.482 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.281 -20.252 31.150 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.856 -20.529 32.842 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.886 -14.465 29.074 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.540 -13.237 29.774 1.00 0.00 C ATOM 1629 C LEU A 123 -14.746 -12.704 30.535 1.00 0.00 C ATOM 1630 O LEU A 123 -14.619 -12.232 31.663 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.051 -12.186 28.775 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.603 -12.494 28.374 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.190 -11.583 27.215 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.663 -12.266 29.573 1.00 0.00 C ATOM 0 H LEU A 123 -13.808 -14.413 28.058 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.743 -13.454 30.485 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.691 -12.183 27.893 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.113 -11.192 29.218 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.532 -13.536 28.062 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.161 -11.801 26.929 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.848 -11.757 26.363 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.267 -10.541 27.526 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.637 -12.487 29.278 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.732 -11.227 29.897 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.954 -12.922 30.394 1.00 0.00 H new ATOM 1646 N SER A 124 -15.913 -12.787 29.912 1.00 0.00 N ATOM 1647 CA SER A 124 -17.141 -12.316 30.541 1.00 0.00 C ATOM 1648 C SER A 124 -17.504 -13.186 31.741 1.00 0.00 C ATOM 1649 O SER A 124 -17.945 -12.683 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.286 -12.327 29.529 1.00 0.00 C ATOM 1651 OG SER A 124 -19.523 -12.207 30.219 1.00 0.00 O ATOM 0 H SER A 124 -16.036 -13.174 28.976 1.00 0.00 H new ATOM 0 HA SER A 124 -16.977 -11.296 30.889 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.170 -11.506 28.822 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.267 -13.251 28.951 1.00 0.00 H new ATOM 0 HG SER A 124 -20.260 -12.212 29.573 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.322 -14.495 31.592 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.429 32.666 1.00 0.00 C ATOM 1659 C GLU A 125 -16.821 -15.110 33.911 1.00 0.00 C ATOM 1660 O GLU A 125 -17.334 -15.140 35.030 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.862 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.735 -17.837 33.327 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.469 -19.271 32.880 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.393 -19.518 32.362 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.345 -20.100 33.064 1.00 0.00 O ATOM 0 H GLU A 125 -16.957 -14.930 30.745 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.332 32.908 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.917 -17.089 31.307 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.297 -16.971 31.965 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.162 -17.616 34.227 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.788 -17.716 33.582 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.547 -14.801 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.659 -14.469 34.816 1.00 0.00 C ATOM 1674 C LEU A 126 -15.076 -13.150 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.969 -12.977 36.671 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.214 -14.379 34.326 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.741 -15.767 33.882 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.367 -15.649 33.221 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.648 -16.704 35.097 1.00 0.00 C ATOM 0 H LEU A 126 -15.106 -14.773 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.731 -15.258 35.564 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.143 -13.676 33.496 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.571 -14.001 35.121 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.456 -16.178 33.169 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.029 -16.636 32.905 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.436 -14.994 32.353 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.655 -15.233 33.934 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.311 -17.688 34.772 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.938 -16.297 35.817 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.629 -16.792 35.564 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.544 -12.220 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.972 -10.916 35.126 1.00 0.00 C ATOM 1693 C GLN A 127 -17.197 -11.051 36.024 1.00 0.00 C ATOM 1694 O GLN A 127 -17.284 -10.408 37.071 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.992 33.951 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.538 33.279 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.714 32.036 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.451 31.746 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.344 -8.289 31.280 1.00 0.00 N ATOM 0 H GLN A 127 -15.636 -12.343 33.623 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.157 -10.489 35.710 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.930 -10.512 33.231 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.860 -9.126 34.301 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.408 -8.946 33.976 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.400 -10.405 33.006 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.378 -8.508 31.523 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.548 -7.737 30.447 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.891 35.610 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.354 -12.103 36.386 1.00 0.00 C ATOM 1710 C GLN A 128 -19.009 -12.574 37.794 1.00 0.00 C ATOM 1711 O GLN A 128 -19.655 -12.183 38.766 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.242 -13.141 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.797 -12.553 34.396 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.647 -13.594 33.675 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -22.501 -14.232 34.289 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -21.462 -13.804 32.400 1.00 0.00 N ATOM 0 H GLN A 128 -18.084 -12.433 34.748 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.893 -11.158 36.453 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.668 -14.043 35.482 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.060 -13.432 36.354 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.397 -11.669 34.614 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.978 -12.232 33.753 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.753 -13.274 31.893 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -22.026 -14.498 31.910 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.982 -13.409 37.897 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.552 -13.920 39.194 1.00 0.00 C ATOM 1727 C TYR A 129 -16.969 -12.798 40.047 1.00 0.00 C ATOM 1728 O TYR A 129 -17.190 -12.747 41.257 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.506 -15.021 39.006 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.197 -16.330 38.709 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.055 -16.932 37.453 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -17.982 -16.942 39.694 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -17.697 -18.147 37.182 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -18.624 -18.156 39.423 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.481 -18.759 38.167 1.00 0.00 C ATOM 1736 OH TYR A 129 -19.115 -19.955 37.899 1.00 0.00 O ATOM 0 H TYR A 129 -17.435 -13.745 37.105 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.422 -14.333 39.705 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.832 -14.761 38.190 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.897 -15.115 39.905 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.450 -16.460 36.693 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -18.092 -16.477 40.663 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.587 -18.612 36.213 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -19.230 -18.628 40.183 1.00 0.00 H new ATOM 0 HH TYR A 129 -19.617 -20.244 38.690 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.223 -11.904 39.408 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.610 -10.786 40.116 1.00 0.00 C ATOM 1748 C ARG A 130 -16.681 -9.889 40.728 1.00 0.00 C ATOM 1749 O ARG A 130 -16.549 -9.436 41.865 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.743 -9.969 39.156 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.042 -8.849 39.928 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.210 -8.005 38.961 1.00 0.00 C ATOM 1753 NE ARG A 130 -12.101 -8.790 38.432 1.00 0.00 N ATOM 1754 CZ ARG A 130 -11.253 -8.273 37.549 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -10.268 -8.995 37.089 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -11.405 -7.043 37.141 1.00 0.00 N ATOM 0 H ARG A 130 -16.029 -11.931 38.407 1.00 0.00 H new ATOM 0 HA ARG A 130 -14.986 -11.185 40.915 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.005 -10.613 38.678 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.359 -9.547 38.362 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.779 -8.223 40.431 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.401 -9.272 40.702 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.838 -7.652 38.143 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.828 -7.122 39.474 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.974 -9.752 38.745 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -10.149 -9.957 37.407 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -9.618 -8.598 36.411 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.175 -6.478 37.500 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -10.754 -6.646 36.463 1.00 0.00 H new ATOM 1770 N GLU A 131 -17.738 -9.634 39.966 1.00 0.00 N ATOM 1771 CA GLU A 131 -18.824 -8.785 40.443 1.00 0.00 C ATOM 1772 C GLU A 131 -19.476 -9.397 41.679 1.00 0.00 C ATOM 1773 O GLU A 131 -19.806 -8.690 42.632 1.00 0.00 O ATOM 1774 CB GLU A 131 -19.874 -8.614 39.343 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.283 -7.794 38.196 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.290 -7.692 37.055 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.377 -8.226 37.202 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -19.959 -7.081 36.052 1.00 0.00 O ATOM 0 H GLU A 131 -17.866 -9.999 39.022 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.412 -7.811 40.706 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.196 -9.589 38.978 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -20.757 -8.116 39.743 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.019 -6.797 38.549 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.364 -8.260 37.840 1.00 0.00 H new