USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 505 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 41 THR OG1 : rot 140:sc= -1.2! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 146:sc= 0.809 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -13! C(o=-13!,f=-11!) USER MOD Single : A 26 SER OG : rot -12:sc= 0.479 USER MOD Single : A 31 MET CE :methyl 162:sc= -5.66! (180deg=-6.34!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 90:sc= -0.878 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= -0.245 (180deg=-0.328) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.6!) USER MOD Single : A 59 THR OG1 : rot -28:sc= 1 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 77 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.88) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= 0.389 (180deg=-1.59!) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.151 1.348 -8.387 1.00 0.00 N ATOM 103 CA VAL A 5 -9.701 1.233 -8.488 1.00 0.00 C ATOM 104 C VAL A 5 -9.096 0.758 -7.178 1.00 0.00 C ATOM 105 O VAL A 5 -7.904 0.540 -7.104 1.00 0.00 O ATOM 106 CB VAL A 5 -9.016 2.553 -8.899 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.786 3.443 -7.689 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.698 2.316 -9.619 1.00 0.00 C ATOM 0 HA VAL A 5 -9.521 0.499 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.692 3.054 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.302 4.367 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.743 3.675 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.148 2.925 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.253 3.274 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.018 1.772 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.877 1.732 -10.522 1.00 0.00 H new ATOM 118 N LYS A 6 -9.899 0.623 -6.128 1.00 0.00 N ATOM 119 CA LYS A 6 -9.351 0.198 -4.845 1.00 0.00 C ATOM 120 C LYS A 6 -8.410 -0.973 -5.075 1.00 0.00 C ATOM 121 O LYS A 6 -7.252 -0.943 -4.659 1.00 0.00 O ATOM 122 CB LYS A 6 -10.486 -0.194 -3.889 1.00 0.00 C ATOM 123 CG LYS A 6 -10.024 -0.781 -2.560 1.00 0.00 C ATOM 124 CD LYS A 6 -9.655 -2.252 -2.681 1.00 0.00 C ATOM 125 CE LYS A 6 -9.415 -2.877 -1.317 1.00 0.00 C ATOM 126 NZ LYS A 6 -9.032 -4.313 -1.423 1.00 0.00 N ATOM 0 H LYS A 6 -10.904 0.796 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.797 1.018 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.095 0.687 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.129 -0.920 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.163 -0.220 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.815 -0.666 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.454 -2.788 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.759 -2.355 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.628 -2.329 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.317 -2.786 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.877 -4.702 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.794 -4.842 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.157 -4.399 -1.979 1.00 0.00 H new ATOM 140 N GLU A 7 -8.897 -1.972 -5.787 1.00 0.00 N ATOM 141 CA GLU A 7 -8.084 -3.128 -6.125 1.00 0.00 C ATOM 142 C GLU A 7 -7.127 -2.810 -7.279 1.00 0.00 C ATOM 143 O GLU A 7 -6.073 -3.424 -7.397 1.00 0.00 O ATOM 144 CB GLU A 7 -8.972 -4.321 -6.488 1.00 0.00 C ATOM 145 CG GLU A 7 -9.902 -4.751 -5.365 1.00 0.00 C ATOM 146 CD GLU A 7 -10.773 -5.931 -5.751 1.00 0.00 C ATOM 147 OE1 GLU A 7 -11.545 -5.805 -6.724 1.00 0.00 O ATOM 148 OE2 GLU A 7 -10.681 -6.981 -5.081 1.00 0.00 O ATOM 0 H GLU A 7 -9.852 -2.007 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.489 -3.387 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.568 -4.066 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.339 -5.163 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.310 -5.012 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.537 -3.912 -5.083 1.00 0.00 H new ATOM 155 N ASP A 8 -7.514 -1.866 -8.148 1.00 0.00 N ATOM 156 CA ASP A 8 -6.687 -1.497 -9.303 1.00 0.00 C ATOM 157 C ASP A 8 -5.364 -0.846 -8.879 1.00 0.00 C ATOM 158 O ASP A 8 -4.285 -1.294 -9.274 1.00 0.00 O ATOM 159 CB ASP A 8 -7.466 -0.579 -10.233 1.00 0.00 C ATOM 160 CG ASP A 8 -8.522 -1.318 -11.029 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.644 -2.549 -10.854 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.228 -0.668 -11.829 1.00 0.00 O ATOM 0 H ASP A 8 -8.389 -1.347 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.435 -2.414 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.942 0.207 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.774 -0.091 -10.919 1.00 0.00 H new ATOM 167 N ILE A 9 -5.454 0.180 -8.041 1.00 0.00 N ATOM 168 CA ILE A 9 -4.281 0.861 -7.520 1.00 0.00 C ATOM 169 C ILE A 9 -3.509 -0.108 -6.644 1.00 0.00 C ATOM 170 O ILE A 9 -2.287 -0.215 -6.738 1.00 0.00 O ATOM 171 CB ILE A 9 -4.682 2.127 -6.716 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.985 3.285 -7.669 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.598 2.526 -5.721 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.428 4.549 -6.963 1.00 0.00 C ATOM 0 H ILE A 9 -6.339 0.560 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.654 1.189 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.581 1.890 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.095 3.501 -8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.763 2.976 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.914 3.416 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.432 1.710 -5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.673 2.738 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.625 5.327 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.336 4.349 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.642 4.882 -6.285 1.00 0.00 H new ATOM 186 N ARG A 10 -4.245 -0.847 -5.820 1.00 0.00 N ATOM 187 CA ARG A 10 -3.642 -1.848 -4.960 1.00 0.00 C ATOM 188 C ARG A 10 -2.936 -2.878 -5.823 1.00 0.00 C ATOM 189 O ARG A 10 -1.981 -3.516 -5.391 1.00 0.00 O ATOM 190 CB ARG A 10 -4.707 -2.533 -4.098 1.00 0.00 C ATOM 191 CG ARG A 10 -4.220 -2.897 -2.714 1.00 0.00 C ATOM 192 CD ARG A 10 -3.899 -1.647 -1.924 1.00 0.00 C ATOM 193 NE ARG A 10 -2.511 -1.622 -1.470 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.963 -0.602 -0.813 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.635 0.529 -0.646 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.726 -0.697 -0.348 1.00 0.00 N ATOM 0 H ARG A 10 -5.258 -0.769 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.926 -1.364 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.570 -1.874 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.047 -3.436 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.982 -3.478 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.333 -3.527 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.093 -0.770 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.563 -1.584 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.927 -2.434 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.579 0.622 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.208 1.306 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.191 -1.553 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.309 0.086 0.155 1.00 0.00 H new ATOM 210 N GLY A 11 -3.406 -3.016 -7.060 1.00 0.00 N ATOM 211 CA GLY A 11 -2.787 -3.951 -7.976 1.00 0.00 C ATOM 212 C GLY A 11 -1.392 -3.492 -8.307 1.00 0.00 C ATOM 213 O GLY A 11 -0.435 -4.269 -8.274 1.00 0.00 O ATOM 0 H GLY A 11 -4.199 -2.500 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.756 -4.945 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.380 -4.028 -8.887 1.00 0.00 H new ATOM 217 N GLN A 12 -1.284 -2.201 -8.587 1.00 0.00 N ATOM 218 CA GLN A 12 -0.007 -1.583 -8.887 1.00 0.00 C ATOM 219 C GLN A 12 0.899 -1.652 -7.664 1.00 0.00 C ATOM 220 O GLN A 12 2.120 -1.737 -7.782 1.00 0.00 O ATOM 221 CB GLN A 12 -0.214 -0.120 -9.289 1.00 0.00 C ATOM 222 CG GLN A 12 -1.160 0.068 -10.461 1.00 0.00 C ATOM 223 CD GLN A 12 -1.250 1.512 -10.911 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.251 2.115 -11.308 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.449 2.078 -10.850 1.00 0.00 N ATOM 0 H GLN A 12 -2.076 -1.559 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 12 0.459 -2.119 -9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.600 0.431 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.752 0.318 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.826 -0.549 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.153 -0.284 -10.182 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.250 1.542 -10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.570 3.049 -11.138 1.00 0.00 H new ATOM 234 N ILE A 13 0.276 -1.603 -6.487 1.00 0.00 N ATOM 235 CA ILE A 13 0.994 -1.645 -5.220 1.00 0.00 C ATOM 236 C ILE A 13 1.524 -3.043 -4.910 1.00 0.00 C ATOM 237 O ILE A 13 2.674 -3.195 -4.509 1.00 0.00 O ATOM 238 CB ILE A 13 0.094 -1.155 -4.067 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.275 0.316 -4.288 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.778 -1.345 -2.719 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.196 0.881 -3.231 1.00 0.00 C ATOM 0 H ILE A 13 -0.737 -1.533 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 13 1.850 -0.977 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.818 -1.751 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.639 0.910 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.751 0.419 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.121 -0.991 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.995 -2.402 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.708 -0.778 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.411 1.925 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.126 0.313 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.715 0.812 -2.255 1.00 0.00 H new ATOM 253 N ILE A 14 0.690 -4.063 -5.101 1.00 0.00 N ATOM 254 CA ILE A 14 1.106 -5.438 -4.842 1.00 0.00 C ATOM 255 C ILE A 14 2.363 -5.770 -5.640 1.00 0.00 C ATOM 256 O ILE A 14 3.374 -6.192 -5.077 1.00 0.00 O ATOM 257 CB ILE A 14 -0.027 -6.441 -5.168 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.983 -6.563 -3.978 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.532 -7.811 -5.540 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.308 -7.048 -2.714 1.00 0.00 C ATOM 0 H ILE A 14 -0.270 -3.964 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 14 1.331 -5.527 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.576 -6.059 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.440 -5.592 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.789 -7.250 -4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.290 -8.491 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.173 -7.717 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.113 -8.205 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.042 -7.112 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.126 -8.033 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.480 -6.350 -2.431 1.00 0.00 H new ATOM 272 N GLY A 15 2.309 -5.542 -6.949 1.00 0.00 N ATOM 273 CA GLY A 15 3.470 -5.791 -7.780 1.00 0.00 C ATOM 274 C GLY A 15 4.630 -4.922 -7.346 1.00 0.00 C ATOM 275 O GLY A 15 5.790 -5.332 -7.396 1.00 0.00 O ATOM 0 H GLY A 15 1.489 -5.192 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.752 -6.842 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.228 -5.589 -8.823 1.00 0.00 H new ATOM 279 N ALA A 16 4.294 -3.715 -6.903 1.00 0.00 N ATOM 280 CA ALA A 16 5.276 -2.752 -6.430 1.00 0.00 C ATOM 281 C ALA A 16 5.968 -3.247 -5.159 1.00 0.00 C ATOM 282 O ALA A 16 7.107 -2.878 -4.874 1.00 0.00 O ATOM 283 CB ALA A 16 4.595 -1.410 -6.182 1.00 0.00 C ATOM 0 H ALA A 16 3.332 -3.379 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 16 6.042 -2.631 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.331 -0.688 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.152 -1.050 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.815 -1.531 -5.431 1.00 0.00 H new ATOM 289 N LEU A 17 5.268 -4.089 -4.403 1.00 0.00 N ATOM 290 CA LEU A 17 5.795 -4.644 -3.164 1.00 0.00 C ATOM 291 C LEU A 17 6.727 -5.807 -3.458 1.00 0.00 C ATOM 292 O LEU A 17 7.665 -6.076 -2.709 1.00 0.00 O ATOM 293 CB LEU A 17 4.641 -5.104 -2.268 1.00 0.00 C ATOM 294 CG LEU A 17 3.837 -3.977 -1.611 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.506 -4.495 -1.087 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.640 -3.343 -0.483 1.00 0.00 C ATOM 0 H LEU A 17 4.325 -4.403 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 17 6.362 -3.871 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.962 -5.715 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.044 -5.746 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 17 3.633 -3.218 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.954 -3.677 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.925 -4.905 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.685 -5.275 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.057 -2.544 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.872 -4.098 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.567 -2.932 -0.883 1.00 0.00 H new ATOM 308 N ALA A 18 6.457 -6.490 -4.561 1.00 0.00 N ATOM 309 CA ALA A 18 7.269 -7.632 -4.970 1.00 0.00 C ATOM 310 C ALA A 18 8.725 -7.222 -5.177 1.00 0.00 C ATOM 311 O ALA A 18 9.008 -6.203 -5.805 1.00 0.00 O ATOM 312 CB ALA A 18 6.707 -8.250 -6.242 1.00 0.00 C ATOM 0 H ALA A 18 5.683 -6.275 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 18 7.237 -8.375 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.322 -9.101 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.686 -8.586 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.710 -7.507 -7.040 1.00 0.00 H new ATOM 318 N GLY A 19 9.647 -8.024 -4.646 1.00 0.00 N ATOM 319 CA GLY A 19 11.061 -7.722 -4.791 1.00 0.00 C ATOM 320 C GLY A 19 11.733 -7.391 -3.470 1.00 0.00 C ATOM 321 O GLY A 19 12.915 -7.675 -3.279 1.00 0.00 O ATOM 0 H GLY A 19 9.441 -8.873 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.565 -8.575 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.180 -6.881 -5.474 1.00 0.00 H new ATOM 325 N ALA A 20 10.978 -6.782 -2.560 1.00 0.00 N ATOM 326 CA ALA A 20 11.501 -6.397 -1.250 1.00 0.00 C ATOM 327 C ALA A 20 12.167 -7.569 -0.547 1.00 0.00 C ATOM 328 O ALA A 20 12.290 -8.658 -1.107 1.00 0.00 O ATOM 329 CB ALA A 20 10.375 -5.862 -0.381 1.00 0.00 C ATOM 0 H ALA A 20 9.997 -6.543 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 20 12.251 -5.622 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.771 -5.577 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.928 -4.991 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.616 -6.634 -0.252 1.00 0.00 H new ATOM 335 N ASP A 21 12.560 -7.338 0.700 1.00 0.00 N ATOM 336 CA ASP A 21 13.174 -8.374 1.520 1.00 0.00 C ATOM 337 C ASP A 21 12.177 -9.522 1.666 1.00 0.00 C ATOM 338 O ASP A 21 11.726 -10.065 0.657 1.00 0.00 O ATOM 339 CB ASP A 21 13.563 -7.781 2.874 1.00 0.00 C ATOM 340 CG ASP A 21 14.785 -6.886 2.784 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.327 -6.728 1.669 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.201 -6.343 3.830 1.00 0.00 O ATOM 0 H ASP A 21 12.463 -6.436 1.167 1.00 0.00 H new ATOM 0 HA ASP A 21 14.082 -8.759 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.725 -7.208 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.759 -8.589 3.579 1.00 0.00 H new ATOM 347 N PHE A 22 11.766 -9.871 2.887 1.00 0.00 N ATOM 348 CA PHE A 22 10.760 -10.914 3.026 1.00 0.00 C ATOM 349 C PHE A 22 9.510 -10.393 2.327 1.00 0.00 C ATOM 350 O PHE A 22 9.581 -9.360 1.658 1.00 0.00 O ATOM 351 CB PHE A 22 10.518 -11.278 4.517 1.00 0.00 C ATOM 352 CG PHE A 22 9.656 -10.318 5.321 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.581 -9.657 4.752 1.00 0.00 C ATOM 354 CD2 PHE A 22 9.929 -10.084 6.660 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.803 -8.791 5.476 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.148 -9.209 7.397 1.00 0.00 C ATOM 357 CZ PHE A 22 8.084 -8.563 6.799 1.00 0.00 C ATOM 0 H PHE A 22 12.101 -9.463 3.760 1.00 0.00 H new ATOM 0 HA PHE A 22 11.083 -11.848 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.056 -12.265 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.487 -11.360 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.349 -9.828 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.758 -10.589 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.970 -8.289 5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.371 -9.032 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.474 -7.880 7.372 1.00 0.00 H new ATOM 367 N PRO A 23 8.340 -11.026 2.452 1.00 0.00 N ATOM 368 CA PRO A 23 7.158 -10.496 1.800 1.00 0.00 C ATOM 369 C PRO A 23 6.646 -9.209 2.474 1.00 0.00 C ATOM 370 O PRO A 23 5.519 -9.184 2.957 1.00 0.00 O ATOM 371 CB PRO A 23 6.146 -11.632 1.916 1.00 0.00 C ATOM 372 CG PRO A 23 6.554 -12.384 3.133 1.00 0.00 C ATOM 373 CD PRO A 23 8.054 -12.248 3.230 1.00 0.00 C ATOM 0 HA PRO A 23 7.351 -10.202 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.130 -11.248 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.165 -12.270 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.068 -11.980 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.262 -13.432 3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.382 -12.151 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.564 -13.117 2.814 1.00 0.00 H new ATOM 381 N ILE A 24 7.489 -8.136 2.472 1.00 0.00 N ATOM 382 CA ILE A 24 7.131 -6.808 3.037 1.00 0.00 C ATOM 383 C ILE A 24 7.882 -6.405 4.328 1.00 0.00 C ATOM 384 O ILE A 24 7.261 -6.231 5.378 1.00 0.00 O ATOM 385 CB ILE A 24 5.616 -6.690 3.284 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.872 -6.871 1.967 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.272 -5.346 3.908 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.260 -5.845 0.939 1.00 0.00 C ATOM 0 H ILE A 24 8.430 -8.171 2.080 1.00 0.00 H new ATOM 0 HA ILE A 24 7.455 -6.110 2.265 1.00 0.00 H new ATOM 0 HB ILE A 24 5.310 -7.470 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.073 -7.868 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.799 -6.810 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.196 -5.286 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.792 -5.244 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.581 -4.544 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.700 -6.021 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.034 -4.848 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.328 -5.922 0.733 1.00 0.00 H new ATOM 400 N ASN A 25 9.196 -6.215 4.247 1.00 0.00 N ATOM 401 CA ASN A 25 9.984 -5.788 5.417 1.00 0.00 C ATOM 402 C ASN A 25 9.596 -4.384 5.864 1.00 0.00 C ATOM 403 O ASN A 25 10.398 -3.457 5.755 1.00 0.00 O ATOM 404 CB ASN A 25 11.475 -5.775 5.096 1.00 0.00 C ATOM 405 CG ASN A 25 12.171 -7.096 5.357 1.00 0.00 C ATOM 406 OD1 ASN A 25 13.397 -7.149 5.459 1.00 0.00 O ATOM 407 ND2 ASN A 25 11.410 -8.172 5.444 1.00 0.00 N ATOM 0 H ASN A 25 9.741 -6.347 3.395 1.00 0.00 H new ATOM 0 HA ASN A 25 9.774 -6.504 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.609 -5.506 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.958 -4.998 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.835 -9.086 5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.397 -8.089 5.354 1.00 0.00 H new ATOM 414 N SER A 26 8.376 -4.213 6.348 1.00 0.00 N ATOM 415 CA SER A 26 7.926 -2.898 6.776 1.00 0.00 C ATOM 416 C SER A 26 8.001 -1.938 5.598 1.00 0.00 C ATOM 417 O SER A 26 8.755 -2.164 4.651 1.00 0.00 O ATOM 418 CB SER A 26 8.780 -2.374 7.935 1.00 0.00 C ATOM 419 OG SER A 26 10.059 -1.959 7.488 1.00 0.00 O ATOM 0 H SER A 26 7.687 -4.958 6.454 1.00 0.00 H new ATOM 0 HA SER A 26 6.897 -2.975 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.271 -1.538 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.891 -3.154 8.688 1.00 0.00 H new ATOM 0 HG SER A 26 10.199 -2.265 6.568 1.00 0.00 H new ATOM 425 N PRO A 27 7.216 -0.865 5.613 1.00 0.00 N ATOM 426 CA PRO A 27 7.215 0.089 4.517 1.00 0.00 C ATOM 427 C PRO A 27 8.610 0.532 4.117 1.00 0.00 C ATOM 428 O PRO A 27 8.868 0.778 2.947 1.00 0.00 O ATOM 429 CB PRO A 27 6.391 1.258 5.054 1.00 0.00 C ATOM 430 CG PRO A 27 5.493 0.646 6.076 1.00 0.00 C ATOM 431 CD PRO A 27 6.260 -0.505 6.671 1.00 0.00 C ATOM 0 HA PRO A 27 6.803 -0.344 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.029 2.024 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.819 1.738 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.223 1.372 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.564 0.302 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.769 -0.215 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.604 -1.339 6.919 1.00 0.00 H new ATOM 439 N GLU A 28 9.515 0.625 5.073 1.00 0.00 N ATOM 440 CA GLU A 28 10.877 1.035 4.768 1.00 0.00 C ATOM 441 C GLU A 28 11.471 0.159 3.660 1.00 0.00 C ATOM 442 O GLU A 28 11.946 0.661 2.638 1.00 0.00 O ATOM 443 CB GLU A 28 11.744 0.954 6.023 1.00 0.00 C ATOM 444 CG GLU A 28 11.195 1.758 7.191 1.00 0.00 C ATOM 445 CD GLU A 28 12.091 1.699 8.413 1.00 0.00 C ATOM 446 OE1 GLU A 28 12.330 0.584 8.919 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.555 2.769 8.861 1.00 0.00 O ATOM 0 H GLU A 28 9.337 0.425 6.057 1.00 0.00 H new ATOM 0 HA GLU A 28 10.855 2.067 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.839 -0.090 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.747 1.310 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.071 2.797 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.206 1.383 7.452 1.00 0.00 H new ATOM 454 N GLU A 29 11.442 -1.152 3.870 1.00 0.00 N ATOM 455 CA GLU A 29 11.984 -2.092 2.903 1.00 0.00 C ATOM 456 C GLU A 29 11.082 -2.286 1.699 1.00 0.00 C ATOM 457 O GLU A 29 11.511 -2.092 0.567 1.00 0.00 O ATOM 458 CB GLU A 29 12.152 -3.424 3.553 1.00 0.00 C ATOM 459 CG GLU A 29 12.881 -4.414 2.663 1.00 0.00 C ATOM 460 CD GLU A 29 14.275 -3.948 2.293 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.096 -3.745 3.213 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.547 -3.788 1.084 1.00 0.00 O ATOM 0 H GLU A 29 11.047 -1.586 4.704 1.00 0.00 H new ATOM 0 HA GLU A 29 12.932 -1.677 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.703 -3.303 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.172 -3.825 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.947 -5.375 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.302 -4.574 1.753 1.00 0.00 H new ATOM 469 N LEU A 30 9.839 -2.703 1.936 1.00 0.00 N ATOM 470 CA LEU A 30 8.914 -2.942 0.840 1.00 0.00 C ATOM 471 C LEU A 30 8.910 -1.729 -0.084 1.00 0.00 C ATOM 472 O LEU A 30 8.933 -1.870 -1.309 1.00 0.00 O ATOM 473 CB LEU A 30 7.514 -3.234 1.384 1.00 0.00 C ATOM 474 CG LEU A 30 6.810 -2.044 2.025 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.117 -1.197 0.971 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.813 -2.507 3.073 1.00 0.00 C ATOM 0 H LEU A 30 9.457 -2.879 2.865 1.00 0.00 H new ATOM 0 HA LEU A 30 9.233 -3.814 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.894 -3.607 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.587 -4.034 2.121 1.00 0.00 H new ATOM 0 HG LEU A 30 7.565 -1.431 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.621 -0.353 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.855 -0.827 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.378 -1.802 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.323 -1.640 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.065 -3.147 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.335 -3.066 3.850 1.00 0.00 H new ATOM 488 N MET A 31 8.960 -0.535 0.507 1.00 0.00 N ATOM 489 CA MET A 31 9.039 0.683 -0.285 1.00 0.00 C ATOM 490 C MET A 31 10.378 0.713 -1.002 1.00 0.00 C ATOM 491 O MET A 31 10.482 1.212 -2.122 1.00 0.00 O ATOM 492 CB MET A 31 8.887 1.948 0.567 1.00 0.00 C ATOM 493 CG MET A 31 7.473 2.186 1.072 1.00 0.00 C ATOM 494 SD MET A 31 7.293 3.770 1.917 1.00 0.00 S ATOM 495 CE MET A 31 8.413 3.559 3.297 1.00 0.00 C ATOM 0 H MET A 31 8.947 -0.390 1.517 1.00 0.00 H new ATOM 0 HA MET A 31 8.214 0.674 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.561 1.882 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.202 2.810 -0.021 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.780 2.146 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.195 1.382 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.657 4.534 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.939 2.941 4.059 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.327 3.074 2.953 1.00 0.00 H new ATOM 505 N ALA A 32 11.409 0.154 -0.355 1.00 0.00 N ATOM 506 CA ALA A 32 12.732 0.110 -0.962 1.00 0.00 C ATOM 507 C ALA A 32 12.721 -0.799 -2.187 1.00 0.00 C ATOM 508 O ALA A 32 13.509 -0.626 -3.117 1.00 0.00 O ATOM 509 CB ALA A 32 13.766 -0.364 0.050 1.00 0.00 C ATOM 0 H ALA A 32 11.349 -0.266 0.573 1.00 0.00 H new ATOM 0 HA ALA A 32 13.003 1.116 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.749 -0.391 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.787 0.322 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.503 -1.363 0.399 1.00 0.00 H new ATOM 515 N ALA A 33 11.827 -1.782 -2.159 1.00 0.00 N ATOM 516 CA ALA A 33 11.696 -2.751 -3.236 1.00 0.00 C ATOM 517 C ALA A 33 11.114 -2.150 -4.507 1.00 0.00 C ATOM 518 O ALA A 33 11.614 -2.406 -5.602 1.00 0.00 O ATOM 519 CB ALA A 33 10.809 -3.889 -2.782 1.00 0.00 C ATOM 0 H ALA A 33 11.174 -1.927 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 33 12.700 -3.104 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.709 -4.616 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.253 -4.371 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.825 -3.501 -2.520 1.00 0.00 H new ATOM 525 N LEU A 34 10.032 -1.387 -4.358 1.00 0.00 N ATOM 526 CA LEU A 34 9.351 -0.786 -5.507 1.00 0.00 C ATOM 527 C LEU A 34 10.328 -0.406 -6.625 1.00 0.00 C ATOM 528 O LEU A 34 11.434 0.069 -6.370 1.00 0.00 O ATOM 529 CB LEU A 34 8.496 0.413 -5.081 1.00 0.00 C ATOM 530 CG LEU A 34 7.167 0.033 -4.415 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.401 -0.533 -3.027 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.218 1.220 -4.355 1.00 0.00 C ATOM 0 H LEU A 34 9.608 -1.170 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 34 8.684 -1.545 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.072 1.029 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.288 1.026 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 34 6.700 -0.738 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.444 -0.795 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.025 -1.424 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.902 0.213 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.286 0.917 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.676 2.024 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.010 1.571 -5.366 1.00 0.00 H new ATOM 544 N PRO A 35 9.923 -0.656 -7.884 1.00 0.00 N ATOM 545 CA PRO A 35 10.742 -0.397 -9.079 1.00 0.00 C ATOM 546 C PRO A 35 11.395 0.984 -9.110 1.00 0.00 C ATOM 547 O PRO A 35 12.557 1.114 -9.495 1.00 0.00 O ATOM 548 CB PRO A 35 9.738 -0.532 -10.242 1.00 0.00 C ATOM 549 CG PRO A 35 8.389 -0.676 -9.606 1.00 0.00 C ATOM 550 CD PRO A 35 8.636 -1.256 -8.252 1.00 0.00 C ATOM 0 HA PRO A 35 11.584 -1.088 -9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.772 0.343 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.972 -1.398 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.887 0.289 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.745 -1.326 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.848 -0.992 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.688 -2.344 -8.279 1.00 0.00 H new ATOM 605 N THR A 40 7.048 4.204 -5.552 1.00 0.00 N ATOM 606 CA THR A 40 6.268 4.742 -6.659 1.00 0.00 C ATOM 607 C THR A 40 4.822 4.981 -6.247 1.00 0.00 C ATOM 608 O THR A 40 4.196 4.129 -5.616 1.00 0.00 O ATOM 609 CB THR A 40 6.283 3.790 -7.872 1.00 0.00 C ATOM 610 OG1 THR A 40 5.308 4.206 -8.835 1.00 0.00 O ATOM 611 CG2 THR A 40 6.007 2.354 -7.442 1.00 0.00 C ATOM 0 HA THR A 40 6.730 5.689 -6.937 1.00 0.00 H new ATOM 0 HB THR A 40 7.275 3.829 -8.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.326 3.597 -9.603 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.023 1.703 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.772 2.032 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.028 2.298 -6.966 1.00 0.00 H new ATOM 619 N THR A 41 4.296 6.145 -6.605 1.00 0.00 N ATOM 620 CA THR A 41 2.924 6.491 -6.270 1.00 0.00 C ATOM 621 C THR A 41 1.940 5.869 -7.256 1.00 0.00 C ATOM 622 O THR A 41 1.964 6.179 -8.446 1.00 0.00 O ATOM 623 CB THR A 41 2.717 8.019 -6.269 1.00 0.00 C ATOM 624 OG1 THR A 41 3.753 8.656 -5.512 1.00 0.00 O ATOM 625 CG2 THR A 41 1.359 8.379 -5.682 1.00 0.00 C ATOM 0 H THR A 41 4.799 6.863 -7.126 1.00 0.00 H new ATOM 0 HA THR A 41 2.737 6.097 -5.271 1.00 0.00 H new ATOM 0 HB THR A 41 2.756 8.369 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.033 9.477 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.234 9.462 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.571 7.918 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.298 8.015 -4.656 1.00 0.00 H new ATOM 633 N CYS A 42 1.056 5.011 -6.752 1.00 0.00 N ATOM 634 CA CYS A 42 0.047 4.376 -7.596 1.00 0.00 C ATOM 635 C CYS A 42 -1.229 5.210 -7.581 1.00 0.00 C ATOM 636 O CYS A 42 -2.334 4.684 -7.454 1.00 0.00 O ATOM 637 CB CYS A 42 -0.244 2.949 -7.117 1.00 0.00 C ATOM 638 SG CYS A 42 1.216 1.886 -7.039 1.00 0.00 S ATOM 0 H CYS A 42 1.018 4.741 -5.769 1.00 0.00 H new ATOM 0 HA CYS A 42 0.428 4.318 -8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.700 2.995 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.976 2.495 -7.785 1.00 0.00 H new ATOM 0 HG CYS A 42 1.760 1.982 -5.862 1.00 0.00 H new ATOM 644 N LYS A 43 -1.053 6.522 -7.695 1.00 0.00 N ATOM 645 CA LYS A 43 -2.164 7.464 -7.680 1.00 0.00 C ATOM 646 C LYS A 43 -2.930 7.460 -8.995 1.00 0.00 C ATOM 647 O LYS A 43 -2.347 7.332 -10.071 1.00 0.00 O ATOM 648 CB LYS A 43 -1.652 8.876 -7.396 1.00 0.00 C ATOM 649 CG LYS A 43 -0.581 9.344 -8.369 1.00 0.00 C ATOM 650 CD LYS A 43 -0.120 10.758 -8.054 1.00 0.00 C ATOM 651 CE LYS A 43 0.955 11.222 -9.024 1.00 0.00 C ATOM 652 NZ LYS A 43 2.160 10.350 -8.976 1.00 0.00 N ATOM 0 H LYS A 43 -0.138 6.961 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.846 7.149 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.491 9.571 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.251 8.911 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.271 8.665 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.971 9.306 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.971 11.438 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.266 10.798 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.552 11.229 -10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.239 12.247 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.924 10.782 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.471 10.241 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.929 9.416 -9.371 1.00 0.00 H new ATOM 712 N GLU A 48 -4.506 9.869 -4.464 1.00 0.00 N ATOM 713 CA GLU A 48 -3.141 9.348 -4.490 1.00 0.00 C ATOM 714 C GLU A 48 -2.929 8.360 -3.344 1.00 0.00 C ATOM 715 O GLU A 48 -3.327 8.625 -2.210 1.00 0.00 O ATOM 716 CB GLU A 48 -2.110 10.479 -4.374 1.00 0.00 C ATOM 717 CG GLU A 48 -2.174 11.522 -5.482 1.00 0.00 C ATOM 718 CD GLU A 48 -3.526 12.196 -5.592 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.969 12.794 -4.589 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.143 12.122 -6.676 1.00 0.00 O ATOM 0 HA GLU A 48 -3.001 8.842 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.248 10.980 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.112 10.041 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.411 12.280 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.934 11.047 -6.433 1.00 0.00 H new ATOM 727 N LEU A 49 -2.300 7.225 -3.640 1.00 0.00 N ATOM 728 CA LEU A 49 -2.040 6.208 -2.622 1.00 0.00 C ATOM 729 C LEU A 49 -0.667 5.573 -2.810 1.00 0.00 C ATOM 730 O LEU A 49 -0.234 5.317 -3.932 1.00 0.00 O ATOM 731 CB LEU A 49 -3.114 5.117 -2.647 1.00 0.00 C ATOM 732 CG LEU A 49 -4.484 5.529 -2.104 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.352 6.103 -0.700 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.161 6.521 -3.038 1.00 0.00 C ATOM 0 H LEU A 49 -1.962 6.986 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.065 6.710 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.237 4.776 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.755 4.265 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.112 4.640 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.336 6.390 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.921 5.351 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.704 6.979 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.133 6.799 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.540 7.412 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.296 6.064 -4.018 1.00 0.00 H new ATOM 746 N LYS A 50 0.006 5.319 -1.693 1.00 0.00 N ATOM 747 CA LYS A 50 1.330 4.710 -1.710 1.00 0.00 C ATOM 748 C LYS A 50 1.835 4.499 -0.288 1.00 0.00 C ATOM 749 O LYS A 50 1.443 5.214 0.630 1.00 0.00 O ATOM 750 CB LYS A 50 2.311 5.575 -2.501 1.00 0.00 C ATOM 751 CG LYS A 50 2.546 6.946 -1.892 1.00 0.00 C ATOM 752 CD LYS A 50 3.394 7.815 -2.803 1.00 0.00 C ATOM 753 CE LYS A 50 3.605 9.202 -2.218 1.00 0.00 C ATOM 754 NZ LYS A 50 4.470 10.046 -3.087 1.00 0.00 N ATOM 0 H LYS A 50 -0.347 5.527 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 50 1.256 3.740 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.264 5.052 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.935 5.698 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.589 7.434 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.039 6.838 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.360 7.338 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.912 7.900 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.640 9.690 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.058 9.114 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.160 11.037 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.458 9.973 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.398 9.718 -4.071 1.00 0.00 H new ATOM 768 N ALA A 51 2.693 3.503 -0.109 1.00 0.00 N ATOM 769 CA ALA A 51 3.237 3.184 1.207 1.00 0.00 C ATOM 770 C ALA A 51 3.741 4.430 1.936 1.00 0.00 C ATOM 771 O ALA A 51 3.711 4.495 3.162 1.00 0.00 O ATOM 772 CB ALA A 51 4.354 2.161 1.076 1.00 0.00 C ATOM 0 H ALA A 51 3.029 2.900 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 51 2.429 2.763 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.753 1.930 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.963 1.251 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.148 2.568 0.450 1.00 0.00 H new ATOM 778 N SER A 52 4.212 5.414 1.185 1.00 0.00 N ATOM 779 CA SER A 52 4.722 6.641 1.785 1.00 0.00 C ATOM 780 C SER A 52 3.599 7.474 2.408 1.00 0.00 C ATOM 781 O SER A 52 3.653 7.815 3.590 1.00 0.00 O ATOM 782 CB SER A 52 5.472 7.467 0.741 1.00 0.00 C ATOM 783 OG SER A 52 5.951 8.680 1.297 1.00 0.00 O ATOM 0 H SER A 52 4.252 5.389 0.166 1.00 0.00 H new ATOM 0 HA SER A 52 5.409 6.359 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.308 6.889 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.811 7.684 -0.098 1.00 0.00 H new ATOM 0 HG SER A 52 6.428 9.189 0.609 1.00 0.00 H new ATOM 789 N ASP A 53 2.591 7.809 1.607 1.00 0.00 N ATOM 790 CA ASP A 53 1.466 8.614 2.081 1.00 0.00 C ATOM 791 C ASP A 53 0.544 7.827 3.011 1.00 0.00 C ATOM 792 O ASP A 53 0.218 8.286 4.104 1.00 0.00 O ATOM 793 CB ASP A 53 0.664 9.147 0.892 1.00 0.00 C ATOM 794 CG ASP A 53 1.474 10.086 0.019 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.658 10.322 0.341 1.00 0.00 O ATOM 796 OD2 ASP A 53 0.925 10.587 -0.985 1.00 0.00 O ATOM 0 H ASP A 53 2.529 7.536 0.626 1.00 0.00 H new ATOM 0 HA ASP A 53 1.881 9.445 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.313 8.309 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.220 9.669 1.259 1.00 0.00 H new ATOM 801 N ALA A 54 0.108 6.655 2.560 1.00 0.00 N ATOM 802 CA ALA A 54 -0.799 5.819 3.343 1.00 0.00 C ATOM 803 C ALA A 54 -0.058 4.934 4.344 1.00 0.00 C ATOM 804 O ALA A 54 -0.462 4.825 5.502 1.00 0.00 O ATOM 805 CB ALA A 54 -1.649 4.964 2.416 1.00 0.00 C ATOM 0 H ALA A 54 0.368 6.261 1.656 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.440 6.487 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.322 4.344 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.233 5.609 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.002 4.325 1.815 1.00 0.00 H new ATOM 811 N GLY A 55 1.018 4.291 3.892 1.00 0.00 N ATOM 812 CA GLY A 55 1.784 3.410 4.765 1.00 0.00 C ATOM 813 C GLY A 55 2.050 4.009 6.136 1.00 0.00 C ATOM 814 O GLY A 55 2.189 3.281 7.119 1.00 0.00 O ATOM 0 H GLY A 55 1.374 4.363 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.245 2.470 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.735 3.174 4.288 1.00 0.00 H new ATOM 818 N GLN A 56 2.117 5.337 6.201 1.00 0.00 N ATOM 819 CA GLN A 56 2.362 6.039 7.461 1.00 0.00 C ATOM 820 C GLN A 56 1.535 5.446 8.596 1.00 0.00 C ATOM 821 O GLN A 56 1.949 5.455 9.754 1.00 0.00 O ATOM 822 CB GLN A 56 2.021 7.522 7.312 1.00 0.00 C ATOM 823 CG GLN A 56 0.587 7.771 6.881 1.00 0.00 C ATOM 824 CD GLN A 56 0.289 9.243 6.670 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.919 9.905 5.846 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.677 9.764 7.418 1.00 0.00 N ATOM 0 H GLN A 56 2.005 5.951 5.394 1.00 0.00 H new ATOM 0 HA GLN A 56 3.419 5.925 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.199 8.025 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.695 7.971 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.390 7.228 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.090 7.372 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.174 9.179 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.922 10.749 7.321 1.00 0.00 H new ATOM 835 N VAL A 57 0.357 4.945 8.250 1.00 0.00 N ATOM 836 CA VAL A 57 -0.552 4.356 9.225 1.00 0.00 C ATOM 837 C VAL A 57 -0.130 2.947 9.649 1.00 0.00 C ATOM 838 O VAL A 57 -0.969 2.136 10.040 1.00 0.00 O ATOM 839 CB VAL A 57 -1.985 4.314 8.667 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.475 5.726 8.381 1.00 0.00 C ATOM 841 CG2 VAL A 57 -2.045 3.453 7.411 1.00 0.00 C ATOM 0 H VAL A 57 0.006 4.935 7.292 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.514 4.993 10.109 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.640 3.865 9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.490 5.686 7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.467 6.308 9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.819 6.197 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.066 3.435 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.382 3.870 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.729 2.438 7.651 1.00 0.00 H new ATOM 851 N LEU A 58 1.170 2.662 9.588 1.00 0.00 N ATOM 852 CA LEU A 58 1.685 1.355 9.984 1.00 0.00 C ATOM 853 C LEU A 58 2.889 1.530 10.907 1.00 0.00 C ATOM 854 O LEU A 58 3.963 1.943 10.472 1.00 0.00 O ATOM 855 CB LEU A 58 2.080 0.541 8.746 1.00 0.00 C ATOM 856 CG LEU A 58 1.007 0.453 7.655 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.544 -0.279 6.434 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.247 -0.233 8.184 1.00 0.00 C ATOM 0 H LEU A 58 1.883 3.318 9.269 1.00 0.00 H new ATOM 0 HA LEU A 58 0.904 0.815 10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.980 0.979 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.338 -0.470 9.062 1.00 0.00 H new ATOM 0 HG LEU A 58 0.740 1.467 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.768 -0.331 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.406 0.257 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.843 -1.288 6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.995 -0.284 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.002 -1.242 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.646 0.336 9.024 1.00 0.00 H new ATOM 870 N THR A 59 2.696 1.224 12.188 1.00 0.00 N ATOM 871 CA THR A 59 3.758 1.358 13.182 1.00 0.00 C ATOM 872 C THR A 59 4.891 0.367 12.939 1.00 0.00 C ATOM 873 O THR A 59 4.693 -0.680 12.323 1.00 0.00 O ATOM 874 CB THR A 59 3.220 1.168 14.612 1.00 0.00 C ATOM 875 OG1 THR A 59 2.646 -0.136 14.755 1.00 0.00 O ATOM 876 CG2 THR A 59 2.175 2.224 14.943 1.00 0.00 C ATOM 0 H THR A 59 1.812 0.881 12.563 1.00 0.00 H new ATOM 0 HA THR A 59 4.148 2.370 13.078 1.00 0.00 H new ATOM 0 HB THR A 59 4.055 1.274 15.304 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.310 -0.442 13.887 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.810 2.069 15.958 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.622 3.215 14.866 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.344 2.145 14.242 1.00 0.00 H new ATOM 884 N ALA A 60 6.080 0.707 13.433 1.00 0.00 N ATOM 885 CA ALA A 60 7.255 -0.148 13.278 1.00 0.00 C ATOM 886 C ALA A 60 6.936 -1.596 13.638 1.00 0.00 C ATOM 887 O ALA A 60 7.419 -2.527 12.997 1.00 0.00 O ATOM 888 CB ALA A 60 8.400 0.370 14.135 1.00 0.00 C ATOM 0 H ALA A 60 6.255 1.571 13.946 1.00 0.00 H new ATOM 0 HA ALA A 60 7.556 -0.121 12.231 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.269 -0.276 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.655 1.384 13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.098 0.373 15.182 1.00 0.00 H new ATOM 894 N ASP A 61 6.110 -1.779 14.662 1.00 0.00 N ATOM 895 CA ASP A 61 5.719 -3.116 15.096 1.00 0.00 C ATOM 896 C ASP A 61 5.178 -3.926 13.920 1.00 0.00 C ATOM 897 O ASP A 61 5.240 -5.156 13.917 1.00 0.00 O ATOM 898 CB ASP A 61 4.662 -3.028 16.199 1.00 0.00 C ATOM 899 CG ASP A 61 5.164 -2.283 17.421 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.531 -1.098 17.284 1.00 0.00 O ATOM 901 OD2 ASP A 61 5.190 -2.886 18.515 1.00 0.00 O ATOM 0 H ASP A 61 5.699 -1.021 15.206 1.00 0.00 H new ATOM 0 HA ASP A 61 6.602 -3.620 15.490 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.775 -2.527 15.810 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.358 -4.034 16.489 1.00 0.00 H new ATOM 906 N ASP A 62 4.644 -3.223 12.925 1.00 0.00 N ATOM 907 CA ASP A 62 4.083 -3.860 11.739 1.00 0.00 C ATOM 908 C ASP A 62 5.163 -4.419 10.813 1.00 0.00 C ATOM 909 O ASP A 62 4.846 -4.923 9.736 1.00 0.00 O ATOM 910 CB ASP A 62 3.230 -2.863 10.957 1.00 0.00 C ATOM 911 CG ASP A 62 2.132 -2.249 11.801 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.456 -1.616 12.827 1.00 0.00 O ATOM 913 OD2 ASP A 62 0.948 -2.402 11.438 1.00 0.00 O ATOM 0 H ASP A 62 4.588 -2.205 12.918 1.00 0.00 H new ATOM 0 HA ASP A 62 3.471 -4.691 12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.869 -2.071 10.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.785 -3.366 10.098 1.00 0.00 H new ATOM 918 N PHE A 63 6.434 -4.323 11.213 1.00 0.00 N ATOM 919 CA PHE A 63 7.530 -4.820 10.380 1.00 0.00 C ATOM 920 C PHE A 63 7.174 -6.156 9.732 1.00 0.00 C ATOM 921 O PHE A 63 7.103 -6.254 8.509 1.00 0.00 O ATOM 922 CB PHE A 63 8.813 -4.969 11.203 1.00 0.00 C ATOM 923 CG PHE A 63 9.833 -3.900 10.936 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.469 -2.565 10.967 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.149 -4.227 10.650 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.397 -1.573 10.717 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.082 -3.239 10.400 1.00 0.00 C ATOM 928 CZ PHE A 63 11.736 -1.935 10.453 1.00 0.00 C ATOM 0 H PHE A 63 6.727 -3.910 12.099 1.00 0.00 H new ATOM 0 HA PHE A 63 7.697 -4.088 9.590 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.557 -4.957 12.262 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.257 -5.942 10.993 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.447 -2.296 11.189 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.448 -5.264 10.622 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.102 -0.534 10.723 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.099 -3.513 10.160 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.482 -1.170 10.294 1.00 0.00 H new ATOM 938 N PRO A 64 6.926 -7.196 10.543 1.00 0.00 N ATOM 939 CA PRO A 64 6.560 -8.519 10.034 1.00 0.00 C ATOM 940 C PRO A 64 5.139 -8.545 9.484 1.00 0.00 C ATOM 941 O PRO A 64 4.225 -9.085 10.108 1.00 0.00 O ATOM 942 CB PRO A 64 6.686 -9.417 11.264 1.00 0.00 C ATOM 943 CG PRO A 64 6.430 -8.511 12.417 1.00 0.00 C ATOM 944 CD PRO A 64 6.969 -7.163 12.018 1.00 0.00 C ATOM 0 HA PRO A 64 7.190 -8.833 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.965 -10.234 11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.676 -9.868 11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.364 -8.454 12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.924 -8.877 13.317 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.360 -6.353 12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.984 -7.012 12.386 1.00 0.00 H new ATOM 952 N PHE A 65 4.961 -7.945 8.312 1.00 0.00 N ATOM 953 CA PHE A 65 3.658 -7.879 7.669 1.00 0.00 C ATOM 954 C PHE A 65 3.288 -9.210 7.021 1.00 0.00 C ATOM 955 O PHE A 65 4.138 -9.887 6.442 1.00 0.00 O ATOM 956 CB PHE A 65 3.656 -6.785 6.602 1.00 0.00 C ATOM 957 CG PHE A 65 2.816 -5.591 6.950 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.444 -5.594 6.767 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.411 -4.468 7.483 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.688 -4.488 7.107 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.668 -3.362 7.827 1.00 0.00 C ATOM 962 CZ PHE A 65 1.224 -3.398 7.551 1.00 0.00 C ATOM 0 H PHE A 65 5.710 -7.495 7.786 1.00 0.00 H new ATOM 0 HA PHE A 65 2.921 -7.651 8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.681 -6.457 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.296 -7.208 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.960 -6.467 6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.480 -4.456 7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.385 -4.536 6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.129 -2.498 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.616 -2.521 7.718 1.00 0.00 H new ATOM 972 N LYS A 66 2.012 -9.570 7.117 1.00 0.00 N ATOM 973 CA LYS A 66 1.517 -10.811 6.532 1.00 0.00 C ATOM 974 C LYS A 66 1.565 -10.746 5.009 1.00 0.00 C ATOM 975 O LYS A 66 0.530 -10.698 4.333 1.00 0.00 O ATOM 976 CB LYS A 66 0.090 -11.097 6.995 1.00 0.00 C ATOM 977 CG LYS A 66 -0.451 -12.424 6.492 1.00 0.00 C ATOM 978 CD LYS A 66 -1.885 -12.659 6.945 1.00 0.00 C ATOM 979 CE LYS A 66 -1.989 -12.753 8.461 1.00 0.00 C ATOM 980 NZ LYS A 66 -3.381 -13.043 8.905 1.00 0.00 N ATOM 0 H LYS A 66 1.300 -9.018 7.596 1.00 0.00 H new ATOM 0 HA LYS A 66 2.163 -11.621 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.061 -11.090 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.563 -10.294 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.406 -12.445 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.182 -13.235 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.517 -11.847 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.262 -13.578 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.322 -13.535 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.653 -11.817 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.410 -13.099 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.014 -12.284 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.693 -13.949 8.501 1.00 0.00 H new ATOM 994 N SER A 67 2.777 -10.746 4.478 1.00 0.00 N ATOM 995 CA SER A 67 2.986 -10.696 3.042 1.00 0.00 C ATOM 996 C SER A 67 2.374 -9.443 2.419 1.00 0.00 C ATOM 997 O SER A 67 1.517 -8.786 3.012 1.00 0.00 O ATOM 998 CB SER A 67 2.417 -11.952 2.383 1.00 0.00 C ATOM 999 OG SER A 67 2.981 -13.122 2.949 1.00 0.00 O ATOM 0 H SER A 67 3.637 -10.780 5.026 1.00 0.00 H new ATOM 0 HA SER A 67 4.061 -10.654 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.334 -11.971 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.618 -11.928 1.312 1.00 0.00 H new ATOM 0 HG SER A 67 2.600 -13.913 2.513 1.00 0.00 H new ATOM 1005 N ALA A 68 2.836 -9.122 1.213 1.00 0.00 N ATOM 1006 CA ALA A 68 2.364 -7.952 0.480 1.00 0.00 C ATOM 1007 C ALA A 68 0.845 -7.917 0.391 1.00 0.00 C ATOM 1008 O ALA A 68 0.244 -6.846 0.324 1.00 0.00 O ATOM 1009 CB ALA A 68 2.983 -7.935 -0.910 1.00 0.00 C ATOM 0 H ALA A 68 3.545 -9.664 0.719 1.00 0.00 H new ATOM 0 HA ALA A 68 2.675 -7.061 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.629 -7.060 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.069 -7.894 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.695 -8.839 -1.447 1.00 0.00 H new ATOM 1015 N GLU A 69 0.229 -9.089 0.386 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.220 -9.178 0.300 1.00 0.00 C ATOM 1017 C GLU A 69 -1.897 -8.440 1.455 1.00 0.00 C ATOM 1018 O GLU A 69 -2.852 -7.690 1.234 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.667 -10.637 0.275 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.178 -11.432 1.461 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.535 -12.903 1.369 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.103 -13.560 0.399 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.246 -13.399 2.269 1.00 0.00 O ATOM 0 H GLU A 69 0.708 -9.988 0.440 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.524 -8.698 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.756 -10.676 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.306 -11.105 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.096 -11.330 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.605 -11.015 2.373 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.420 -8.642 2.689 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.035 -7.971 3.823 1.00 0.00 C ATOM 1032 C GLU A 70 -1.665 -6.494 3.846 1.00 0.00 C ATOM 1033 O GLU A 70 -2.478 -5.653 4.215 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.697 -8.664 5.154 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.502 -8.087 5.887 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.778 -7.889 7.370 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.038 -8.893 8.065 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.722 -6.734 7.841 1.00 0.00 O ATOM 0 H GLU A 70 -0.632 -9.248 2.917 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.116 -8.042 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.568 -8.608 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.511 -9.720 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.353 -8.752 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.230 -7.131 5.439 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.443 -6.179 3.440 1.00 0.00 N ATOM 1046 CA VAL A 71 0.008 -4.794 3.411 1.00 0.00 C ATOM 1047 C VAL A 71 -0.831 -3.983 2.435 1.00 0.00 C ATOM 1048 O VAL A 71 -1.196 -2.841 2.711 1.00 0.00 O ATOM 1049 CB VAL A 71 1.485 -4.696 3.012 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.967 -3.252 3.071 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.322 -5.587 3.909 1.00 0.00 C ATOM 0 H VAL A 71 0.250 -6.859 3.128 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.109 -4.391 4.417 1.00 0.00 H new ATOM 0 HB VAL A 71 1.595 -5.038 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.018 -3.207 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.377 -2.643 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.852 -2.871 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.370 -5.512 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.208 -5.270 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.990 -6.620 3.807 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.136 -4.584 1.294 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.934 -3.920 0.278 1.00 0.00 C ATOM 1063 C ALA A 72 -3.325 -3.580 0.805 1.00 0.00 C ATOM 1064 O ALA A 72 -3.747 -2.424 0.770 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.037 -4.794 -0.964 1.00 0.00 C ATOM 0 H ALA A 72 -0.842 -5.530 1.050 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.438 -2.986 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.638 -4.285 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.039 -4.982 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.508 -5.742 -0.704 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.034 -4.595 1.292 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.383 -4.404 1.822 1.00 0.00 C ATOM 1073 C ASP A 73 -5.375 -3.507 3.059 1.00 0.00 C ATOM 1074 O ASP A 73 -6.217 -2.622 3.205 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.011 -5.756 2.166 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.121 -6.671 0.960 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.708 -6.252 -0.141 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.618 -7.806 1.119 1.00 0.00 O ATOM 0 H ASP A 73 -3.698 -5.557 1.331 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.977 -3.914 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.413 -6.245 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.003 -5.595 2.587 1.00 0.00 H new ATOM 1083 N THR A 74 -4.424 -3.754 3.949 1.00 0.00 N ATOM 1084 CA THR A 74 -4.297 -2.989 5.184 1.00 0.00 C ATOM 1085 C THR A 74 -4.222 -1.486 4.919 1.00 0.00 C ATOM 1086 O THR A 74 -4.899 -0.698 5.578 1.00 0.00 O ATOM 1087 CB THR A 74 -3.046 -3.432 5.975 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.189 -4.795 6.391 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.814 -2.551 7.195 1.00 0.00 C ATOM 0 H THR A 74 -3.722 -4.486 3.838 1.00 0.00 H new ATOM 0 HA THR A 74 -5.192 -3.189 5.773 1.00 0.00 H new ATOM 0 HB THR A 74 -2.184 -3.334 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.107 -5.385 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.926 -2.892 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.672 -1.518 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.678 -2.611 7.857 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.388 -1.095 3.963 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.223 0.315 3.631 1.00 0.00 C ATOM 1099 C ILE A 75 -4.510 0.918 3.064 1.00 0.00 C ATOM 1100 O ILE A 75 -4.958 1.966 3.525 1.00 0.00 O ATOM 1101 CB ILE A 75 -2.051 0.519 2.649 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.743 0.075 3.311 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.957 1.975 2.214 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.465 0.160 2.405 1.00 0.00 C ATOM 0 H ILE A 75 -2.818 -1.731 3.406 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.992 0.839 4.558 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.228 -0.087 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.567 0.691 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.853 -0.953 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.123 2.095 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.884 2.268 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.796 2.606 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.351 -0.171 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.313 -0.478 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.604 1.191 2.079 1.00 0.00 H new ATOM 1116 N VAL A 76 -5.110 0.258 2.075 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.353 0.760 1.484 1.00 0.00 C ATOM 1118 C VAL A 76 -7.430 0.961 2.547 1.00 0.00 C ATOM 1119 O VAL A 76 -8.195 1.923 2.490 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.906 -0.156 0.366 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -6.214 0.131 -0.954 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.762 -1.626 0.728 1.00 0.00 C ATOM 0 H VAL A 76 -4.764 -0.612 1.670 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.097 1.719 1.033 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.969 0.061 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.618 -0.524 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.383 1.171 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.144 -0.047 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.160 -2.240 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.709 -1.862 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.314 -1.830 1.646 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.486 0.053 3.516 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.473 0.144 4.589 1.00 0.00 C ATOM 1134 C ASN A 77 -8.268 1.402 5.429 1.00 0.00 C ATOM 1135 O ASN A 77 -9.201 2.175 5.646 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.400 -1.090 5.492 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.813 -2.363 4.779 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -9.893 -2.437 4.193 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -7.961 -3.379 4.838 1.00 0.00 N ATOM 0 H ASN A 77 -6.863 -0.752 3.581 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.457 0.195 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.382 -1.202 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.043 -0.939 6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.191 -4.264 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.076 -3.274 5.335 1.00 0.00 H new ATOM 1146 N LYS A 78 -7.046 1.588 5.913 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.711 2.737 6.748 1.00 0.00 C ATOM 1148 C LYS A 78 -6.647 4.031 5.941 1.00 0.00 C ATOM 1149 O LYS A 78 -7.101 5.080 6.398 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.372 2.499 7.440 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.355 1.258 8.318 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.008 1.070 8.998 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.011 -0.145 9.912 1.00 0.00 C ATOM 1154 NZ LYS A 78 -2.697 -0.336 10.586 1.00 0.00 N ATOM 0 H LYS A 78 -6.266 0.954 5.741 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.502 2.847 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.592 2.410 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.127 3.369 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.137 1.336 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.583 0.381 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.230 0.957 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.763 1.961 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.792 -0.032 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.254 -1.035 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.851 -0.578 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.176 -1.106 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.144 0.543 10.524 1.00 0.00 H new ATOM 1168 N ALA A 79 -6.057 3.957 4.755 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.907 5.134 3.903 1.00 0.00 C ATOM 1170 C ALA A 79 -7.249 5.647 3.387 1.00 0.00 C ATOM 1171 O ALA A 79 -7.409 6.844 3.150 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.984 4.820 2.736 1.00 0.00 C ATOM 0 H ALA A 79 -5.675 3.098 4.360 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.469 5.924 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.879 5.704 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.005 4.526 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.405 4.005 2.148 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.214 4.747 3.215 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.517 5.163 2.729 1.00 0.00 C ATOM 1180 C GLY A 80 -10.251 4.065 1.995 1.00 0.00 C ATOM 1181 O GLY A 80 -11.396 3.743 2.313 1.00 0.00 O ATOM 0 H GLY A 80 -8.119 3.749 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.123 5.498 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.395 6.018 2.064 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.587 3.506 0.998 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.160 2.449 0.181 1.00 0.00 C ATOM 1187 C LEU A 81 -10.367 1.174 0.994 1.00 0.00 C ATOM 1188 O LEU A 81 -10.587 1.284 2.219 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.236 2.180 -1.003 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.806 3.431 -1.770 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.612 3.122 -2.660 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.959 3.969 -2.603 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.306 0.077 0.400 1.00 0.00 O ATOM 0 H LEU A 81 -8.638 3.771 0.732 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.137 2.771 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.345 1.666 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.738 1.501 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.515 4.194 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.318 4.022 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.780 2.779 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.882 2.343 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.634 4.859 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.278 3.209 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.792 4.225 -1.949 1.00 0.00 H new