USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.176) USER MOD Single : A 8 GLN : amide:sc= 0.405 K(o=0.41,f=-6.5!) USER MOD Single : A 9 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 15 GLN : amide:sc= -0.0988 K(o=-0.099,f=-0.8) USER MOD Single : A 18 GLN : amide:sc= 1.05 K(o=1,f=-0.71) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 61:sc= 0.724 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.08) USER MOD Single : A 46 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-0.93) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.28 K(o=-0.28,f=-1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.09) USER MOD Single : A 64 GLN : amide:sc= 0.0971 K(o=0.097,f=-4.8!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 70 GLN : amide:sc= 0.253 X(o=0.25,f=-0.11) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -0.165 (180deg=-0.681) USER MOD Single : A 86 SER OG : rot 75:sc= 1.13 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 99 GLN : amide:sc= 0.175 K(o=0.18,f=-6.9!) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= 1.16 (180deg=0.728) USER MOD Single : A 107 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0639) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 9.283 4.984 13.287 1.00 0.00 N ATOM 65 CA LYS A 5 9.775 4.133 12.214 1.00 0.00 C ATOM 66 C LYS A 5 8.628 3.449 11.483 1.00 0.00 C ATOM 67 O LYS A 5 8.612 3.396 10.258 1.00 0.00 O ATOM 68 CB LYS A 5 10.750 3.089 12.760 1.00 0.00 C ATOM 69 CG LYS A 5 11.961 3.681 13.463 1.00 0.00 C ATOM 70 CD LYS A 5 12.943 2.598 13.874 1.00 0.00 C ATOM 71 CE LYS A 5 14.141 3.179 14.611 1.00 0.00 C ATOM 72 NZ LYS A 5 13.753 3.788 15.908 1.00 0.00 N ATOM 0 HA LYS A 5 10.302 4.768 11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.219 2.441 13.457 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.092 2.461 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.456 4.393 12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.638 4.236 14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.439 1.872 14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.285 2.061 12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.876 2.393 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.621 3.932 13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.607 3.988 16.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.238 4.675 15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.142 3.129 16.432 1.00 0.00 H new ATOM 86 N LEU A 6 7.654 2.951 12.229 1.00 0.00 N ATOM 87 CA LEU A 6 6.505 2.288 11.619 1.00 0.00 C ATOM 88 C LEU A 6 5.614 3.299 10.911 1.00 0.00 C ATOM 89 O LEU A 6 5.152 3.063 9.789 1.00 0.00 O ATOM 90 CB LEU A 6 5.693 1.496 12.661 1.00 0.00 C ATOM 91 CG LEU A 6 6.222 0.093 13.032 1.00 0.00 C ATOM 92 CD1 LEU A 6 6.302 -0.802 11.804 1.00 0.00 C ATOM 93 CD2 LEU A 6 7.577 0.178 13.721 1.00 0.00 C ATOM 0 H LEU A 6 7.633 2.991 13.248 1.00 0.00 H new ATOM 0 HA LEU A 6 6.886 1.581 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.637 2.091 13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.674 1.388 12.288 1.00 0.00 H new ATOM 0 HG LEU A 6 5.515 -0.350 13.733 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.677 -1.784 12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.310 -0.908 11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.976 -0.357 11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.922 -0.826 13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.295 0.654 13.054 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.485 0.766 14.634 1.00 0.00 H new ATOM 105 N ARG A 7 5.398 4.435 11.557 1.00 0.00 N ATOM 106 CA ARG A 7 4.557 5.484 11.011 1.00 0.00 C ATOM 107 C ARG A 7 5.159 6.029 9.716 1.00 0.00 C ATOM 108 O ARG A 7 4.456 6.198 8.723 1.00 0.00 O ATOM 109 CB ARG A 7 4.364 6.609 12.052 1.00 0.00 C ATOM 110 CG ARG A 7 3.230 7.593 11.745 1.00 0.00 C ATOM 111 CD ARG A 7 3.614 8.592 10.665 1.00 0.00 C ATOM 112 NE ARG A 7 2.507 9.478 10.318 1.00 0.00 N ATOM 113 CZ ARG A 7 2.571 10.433 9.393 1.00 0.00 C ATOM 114 NH1 ARG A 7 3.704 10.652 8.733 1.00 0.00 N ATOM 115 NH2 ARG A 7 1.504 11.175 9.137 1.00 0.00 N ATOM 0 H ARG A 7 5.799 4.653 12.469 1.00 0.00 H new ATOM 0 HA ARG A 7 3.578 5.066 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.176 6.154 13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.296 7.168 12.137 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.346 7.039 11.428 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.960 8.129 12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.461 9.187 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.941 8.055 9.775 1.00 0.00 H new ATOM 0 HE ARG A 7 1.626 9.357 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.529 10.087 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.748 11.385 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.636 11.014 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.550 11.908 8.429 1.00 0.00 H new ATOM 129 N GLN A 8 6.461 6.291 9.728 1.00 0.00 N ATOM 130 CA GLN A 8 7.133 6.824 8.552 1.00 0.00 C ATOM 131 C GLN A 8 7.229 5.796 7.432 1.00 0.00 C ATOM 132 O GLN A 8 7.154 6.153 6.259 1.00 0.00 O ATOM 133 CB GLN A 8 8.503 7.399 8.897 1.00 0.00 C ATOM 134 CG GLN A 8 8.429 8.685 9.711 1.00 0.00 C ATOM 135 CD GLN A 8 7.536 9.734 9.063 1.00 0.00 C ATOM 136 OE1 GLN A 8 6.328 9.792 9.327 1.00 0.00 O ATOM 137 NE2 GLN A 8 8.111 10.559 8.215 1.00 0.00 N ATOM 0 H GLN A 8 7.068 6.144 10.534 1.00 0.00 H new ATOM 0 HA GLN A 8 6.516 7.644 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.071 6.655 9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.051 7.592 7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.053 8.459 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.433 9.092 9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.110 10.479 8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.558 11.278 7.749 1.00 0.00 H new ATOM 146 N THR A 9 7.395 4.523 7.786 1.00 0.00 N ATOM 147 CA THR A 9 7.414 3.466 6.780 1.00 0.00 C ATOM 148 C THR A 9 6.057 3.409 6.072 1.00 0.00 C ATOM 149 O THR A 9 5.982 3.257 4.851 1.00 0.00 O ATOM 150 CB THR A 9 7.746 2.088 7.399 1.00 0.00 C ATOM 151 OG1 THR A 9 9.038 2.142 8.020 1.00 0.00 O ATOM 152 CG2 THR A 9 7.751 0.997 6.336 1.00 0.00 C ATOM 0 H THR A 9 7.516 4.203 8.747 1.00 0.00 H new ATOM 0 HA THR A 9 8.199 3.700 6.061 1.00 0.00 H new ATOM 0 HB THR A 9 6.980 1.852 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.048 2.854 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.987 0.039 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.768 0.941 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.501 1.229 5.580 1.00 0.00 H new ATOM 160 N GLY A 10 4.986 3.546 6.851 1.00 0.00 N ATOM 161 CA GLY A 10 3.658 3.603 6.281 1.00 0.00 C ATOM 162 C GLY A 10 3.479 4.864 5.463 1.00 0.00 C ATOM 163 O GLY A 10 2.876 4.846 4.395 1.00 0.00 O ATOM 0 H GLY A 10 5.019 3.618 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.489 2.729 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.914 3.571 7.077 1.00 0.00 H new ATOM 167 N ASP A 11 4.022 5.962 5.980 1.00 0.00 N ATOM 168 CA ASP A 11 3.979 7.262 5.311 1.00 0.00 C ATOM 169 C ASP A 11 4.674 7.196 3.952 1.00 0.00 C ATOM 170 O ASP A 11 4.210 7.788 2.977 1.00 0.00 O ATOM 171 CB ASP A 11 4.652 8.317 6.192 1.00 0.00 C ATOM 172 CG ASP A 11 4.722 9.678 5.541 1.00 0.00 C ATOM 173 OD1 ASP A 11 3.748 10.444 5.659 1.00 0.00 O ATOM 174 OD2 ASP A 11 5.760 9.991 4.928 1.00 0.00 O1- ATOM 0 H ASP A 11 4.506 5.977 6.878 1.00 0.00 H new ATOM 0 HA ASP A 11 2.936 7.536 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.106 8.398 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.661 7.986 6.437 1.00 0.00 H new ATOM 179 N GLU A 12 5.782 6.462 3.899 1.00 0.00 N ATOM 180 CA GLU A 12 6.532 6.278 2.663 1.00 0.00 C ATOM 181 C GLU A 12 5.665 5.578 1.618 1.00 0.00 C ATOM 182 O GLU A 12 5.724 5.899 0.427 1.00 0.00 O ATOM 183 CB GLU A 12 7.814 5.480 2.940 1.00 0.00 C ATOM 184 CG GLU A 12 8.653 5.191 1.705 1.00 0.00 C ATOM 185 CD GLU A 12 10.026 4.660 2.051 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.120 3.543 2.602 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.023 5.366 1.786 1.00 0.00 O1- ATOM 0 H GLU A 12 6.182 5.982 4.705 1.00 0.00 H new ATOM 0 HA GLU A 12 6.815 7.254 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.423 6.031 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.544 4.535 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.134 4.466 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.757 6.104 1.118 1.00 0.00 H new ATOM 194 N LEU A 13 4.846 4.638 2.075 1.00 0.00 N ATOM 195 CA LEU A 13 3.923 3.944 1.192 1.00 0.00 C ATOM 196 C LEU A 13 2.893 4.927 0.654 1.00 0.00 C ATOM 197 O LEU A 13 2.531 4.883 -0.521 1.00 0.00 O ATOM 198 CB LEU A 13 3.215 2.801 1.928 1.00 0.00 C ATOM 199 CG LEU A 13 4.116 1.703 2.494 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.283 0.648 3.200 1.00 0.00 C ATOM 201 CD2 LEU A 13 4.948 1.072 1.393 1.00 0.00 C ATOM 0 H LEU A 13 4.804 4.341 3.050 1.00 0.00 H new ATOM 0 HA LEU A 13 4.491 3.518 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.638 3.227 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.503 2.341 1.243 1.00 0.00 H new ATOM 0 HG LEU A 13 4.794 2.154 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.938 -0.127 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.729 1.109 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.583 0.203 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.582 0.293 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.288 0.635 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.572 1.834 0.926 1.00 0.00 H new ATOM 213 N VAL A 14 2.444 5.833 1.524 1.00 0.00 N ATOM 214 CA VAL A 14 1.468 6.852 1.151 1.00 0.00 C ATOM 215 C VAL A 14 2.007 7.701 0.013 1.00 0.00 C ATOM 216 O VAL A 14 1.293 8.000 -0.941 1.00 0.00 O ATOM 217 CB VAL A 14 1.121 7.780 2.343 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.046 8.788 1.954 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.679 6.969 3.545 1.00 0.00 C ATOM 0 H VAL A 14 2.745 5.880 2.498 1.00 0.00 H new ATOM 0 HA VAL A 14 0.562 6.332 0.839 1.00 0.00 H new ATOM 0 HB VAL A 14 2.022 8.331 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.179 9.427 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.404 9.401 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.856 8.258 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.441 7.641 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.204 6.385 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.482 6.297 3.846 1.00 0.00 H new ATOM 229 N GLN A 15 3.282 8.056 0.108 1.00 0.00 N ATOM 230 CA GLN A 15 3.925 8.875 -0.907 1.00 0.00 C ATOM 231 C GLN A 15 3.913 8.156 -2.246 1.00 0.00 C ATOM 232 O GLN A 15 3.605 8.752 -3.280 1.00 0.00 O ATOM 233 CB GLN A 15 5.369 9.193 -0.507 1.00 0.00 C ATOM 234 CG GLN A 15 5.509 9.859 0.853 1.00 0.00 C ATOM 235 CD GLN A 15 4.714 11.143 0.964 1.00 0.00 C ATOM 236 OE1 GLN A 15 4.491 11.845 -0.030 1.00 0.00 O ATOM 237 NE2 GLN A 15 4.289 11.466 2.166 1.00 0.00 N ATOM 0 H GLN A 15 3.891 7.788 0.881 1.00 0.00 H new ATOM 0 HA GLN A 15 3.370 9.809 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.946 8.268 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.809 9.843 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.180 9.166 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.561 10.072 1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.494 10.859 2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.754 12.323 2.304 1.00 0.00 H new ATOM 246 N ALA A 16 4.225 6.868 -2.212 1.00 0.00 N ATOM 247 CA ALA A 16 4.257 6.055 -3.413 1.00 0.00 C ATOM 248 C ALA A 16 2.870 5.936 -4.045 1.00 0.00 C ATOM 249 O ALA A 16 2.725 6.074 -5.255 1.00 0.00 O ATOM 250 CB ALA A 16 4.824 4.678 -3.105 1.00 0.00 C ATOM 0 H ALA A 16 4.461 6.363 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 16 4.908 6.549 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.842 4.080 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.838 4.780 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.199 4.186 -2.360 1.00 0.00 H new ATOM 256 N PHE A 17 1.855 5.695 -3.220 1.00 0.00 N ATOM 257 CA PHE A 17 0.487 5.557 -3.719 1.00 0.00 C ATOM 258 C PHE A 17 -0.053 6.875 -4.270 1.00 0.00 C ATOM 259 O PHE A 17 -0.726 6.894 -5.302 1.00 0.00 O ATOM 260 CB PHE A 17 -0.444 4.998 -2.639 1.00 0.00 C ATOM 261 CG PHE A 17 -0.203 3.544 -2.336 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.178 3.135 -1.072 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.358 2.587 -3.323 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.399 1.800 -0.795 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.139 1.251 -3.054 1.00 0.00 C ATOM 266 CZ PHE A 17 0.241 0.858 -1.787 1.00 0.00 C ATOM 0 H PHE A 17 1.951 5.592 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 17 0.519 4.845 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.317 5.578 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.478 5.128 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.305 3.869 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.654 2.889 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.695 1.495 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.265 0.515 -3.834 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.414 -0.186 -1.574 1.00 0.00 H new ATOM 276 N GLN A 18 0.245 7.974 -3.588 1.00 0.00 N ATOM 277 CA GLN A 18 -0.184 9.288 -4.046 1.00 0.00 C ATOM 278 C GLN A 18 0.477 9.621 -5.376 1.00 0.00 C ATOM 279 O GLN A 18 -0.164 10.146 -6.295 1.00 0.00 O ATOM 280 CB GLN A 18 0.154 10.353 -3.007 1.00 0.00 C ATOM 281 CG GLN A 18 -0.651 10.236 -1.721 1.00 0.00 C ATOM 282 CD GLN A 18 -2.136 10.440 -1.941 1.00 0.00 C ATOM 283 OE1 GLN A 18 -2.549 11.177 -2.833 1.00 0.00 O ATOM 284 NE2 GLN A 18 -2.945 9.799 -1.127 1.00 0.00 N ATOM 0 H GLN A 18 0.780 7.981 -2.719 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.265 9.272 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.215 10.289 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.015 11.338 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.485 9.253 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.290 10.972 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.563 9.196 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.955 9.905 -1.224 1.00 0.00 H new ATOM 293 N ARG A 19 1.761 9.297 -5.476 1.00 0.00 N ATOM 294 CA ARG A 19 2.519 9.505 -6.696 1.00 0.00 C ATOM 295 C ARG A 19 1.988 8.596 -7.798 1.00 0.00 C ATOM 296 O ARG A 19 1.921 8.985 -8.963 1.00 0.00 O ATOM 297 CB ARG A 19 4.005 9.217 -6.443 1.00 0.00 C ATOM 298 CG ARG A 19 4.915 9.504 -7.629 1.00 0.00 C ATOM 299 CD ARG A 19 4.865 10.970 -8.027 1.00 0.00 C ATOM 300 NE ARG A 19 5.171 11.856 -6.903 1.00 0.00 N ATOM 301 CZ ARG A 19 5.201 13.187 -6.979 1.00 0.00 C ATOM 302 NH1 ARG A 19 4.974 13.797 -8.137 1.00 0.00 N ATOM 303 NH2 ARG A 19 5.464 13.904 -5.897 1.00 0.00 N ATOM 0 H ARG A 19 2.301 8.885 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 19 2.410 10.542 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.338 9.813 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.116 8.170 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.939 9.229 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.617 8.886 -8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.575 11.151 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.874 11.206 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 19 5.375 11.426 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.776 13.247 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.998 14.815 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.643 13.438 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.487 14.922 -5.953 1.00 0.00 H new ATOM 317 N LEU A 20 1.591 7.391 -7.407 1.00 0.00 N ATOM 318 CA LEU A 20 1.049 6.408 -8.332 1.00 0.00 C ATOM 319 C LEU A 20 -0.214 6.944 -8.990 1.00 0.00 C ATOM 320 O LEU A 20 -0.407 6.793 -10.197 1.00 0.00 O ATOM 321 CB LEU A 20 0.730 5.105 -7.591 1.00 0.00 C ATOM 322 CG LEU A 20 0.273 3.937 -8.463 1.00 0.00 C ATOM 323 CD1 LEU A 20 1.432 3.397 -9.283 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.342 2.840 -7.606 1.00 0.00 C ATOM 0 H LEU A 20 1.636 7.070 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 20 1.795 6.209 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.618 4.796 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.047 5.309 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.490 4.299 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.087 2.566 -9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.822 4.186 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.221 3.051 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.662 2.016 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.397 2.479 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.203 3.238 -7.068 1.00 0.00 H new ATOM 336 N ARG A 21 -1.070 7.579 -8.192 1.00 0.00 N ATOM 337 CA ARG A 21 -2.303 8.147 -8.709 1.00 0.00 C ATOM 338 C ARG A 21 -1.999 9.250 -9.712 1.00 0.00 C ATOM 339 O ARG A 21 -2.656 9.360 -10.747 1.00 0.00 O ATOM 340 CB ARG A 21 -3.189 8.680 -7.579 1.00 0.00 C ATOM 341 CG ARG A 21 -4.568 9.102 -8.061 1.00 0.00 C ATOM 342 CD ARG A 21 -5.501 9.475 -6.920 1.00 0.00 C ATOM 343 NE ARG A 21 -6.825 9.841 -7.432 1.00 0.00 N ATOM 344 CZ ARG A 21 -7.972 9.739 -6.755 1.00 0.00 C ATOM 345 NH1 ARG A 21 -7.987 9.331 -5.494 1.00 0.00 N ATOM 346 NH2 ARG A 21 -9.109 10.059 -7.355 1.00 0.00 N ATOM 0 H ARG A 21 -0.929 7.710 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.851 7.352 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.296 7.911 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.697 9.531 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.468 9.952 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.011 8.289 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.592 8.637 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.080 10.308 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.874 10.204 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.114 9.089 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.872 9.259 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.102 10.379 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.991 9.985 -6.849 1.00 0.00 H new ATOM 360 N GLU A 22 -0.986 10.055 -9.406 1.00 0.00 N ATOM 361 CA GLU A 22 -0.570 11.126 -10.305 1.00 0.00 C ATOM 362 C GLU A 22 -0.098 10.559 -11.641 1.00 0.00 C ATOM 363 O GLU A 22 -0.475 11.058 -12.703 1.00 0.00 O ATOM 364 CB GLU A 22 0.532 11.982 -9.676 1.00 0.00 C ATOM 365 CG GLU A 22 0.057 12.841 -8.519 1.00 0.00 C ATOM 366 CD GLU A 22 1.121 13.794 -8.025 1.00 0.00 C ATOM 367 OE1 GLU A 22 1.603 14.624 -8.834 1.00 0.00 O ATOM 368 OE2 GLU A 22 1.467 13.735 -6.827 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.440 9.987 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.437 11.763 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.331 11.329 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.960 12.627 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.819 13.410 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.257 12.196 -7.698 1.00 0.00 H new ATOM 375 N ILE A 23 0.717 9.513 -11.578 1.00 0.00 N ATOM 376 CA ILE A 23 1.229 8.856 -12.778 1.00 0.00 C ATOM 377 C ILE A 23 0.080 8.240 -13.577 1.00 0.00 C ATOM 378 O ILE A 23 0.024 8.356 -14.808 1.00 0.00 O ATOM 379 CB ILE A 23 2.254 7.755 -12.416 1.00 0.00 C ATOM 380 CG1 ILE A 23 3.427 8.361 -11.642 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.750 7.051 -13.671 1.00 0.00 C ATOM 382 CD1 ILE A 23 4.432 7.343 -11.158 1.00 0.00 C ATOM 0 H ILE A 23 1.040 9.098 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 23 1.729 9.612 -13.384 1.00 0.00 H new ATOM 0 HB ILE A 23 1.762 7.016 -11.783 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.935 9.084 -12.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.039 8.910 -10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.470 6.280 -13.395 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.907 6.592 -14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.229 7.776 -14.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.232 7.850 -10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.940 6.633 -10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.850 6.810 -12.012 1.00 0.00 H new ATOM 394 N PHE A 24 -0.839 7.605 -12.865 1.00 0.00 N ATOM 395 CA PHE A 24 -2.010 6.994 -13.473 1.00 0.00 C ATOM 396 C PHE A 24 -2.858 8.042 -14.192 1.00 0.00 C ATOM 397 O PHE A 24 -3.351 7.806 -15.298 1.00 0.00 O ATOM 398 CB PHE A 24 -2.840 6.277 -12.394 1.00 0.00 C ATOM 399 CG PHE A 24 -4.220 5.874 -12.835 1.00 0.00 C ATOM 400 CD1 PHE A 24 -4.403 4.849 -13.746 1.00 0.00 C ATOM 401 CD2 PHE A 24 -5.334 6.524 -12.329 1.00 0.00 C ATOM 402 CE1 PHE A 24 -5.672 4.481 -14.145 1.00 0.00 C ATOM 403 CE2 PHE A 24 -6.605 6.161 -12.724 1.00 0.00 C ATOM 404 CZ PHE A 24 -6.777 5.140 -13.632 1.00 0.00 C ATOM 0 H PHE A 24 -0.794 7.499 -11.852 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.680 6.264 -14.213 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.301 5.386 -12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.926 6.930 -11.526 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.545 4.332 -14.149 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.206 7.325 -11.616 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.803 3.680 -14.857 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.464 6.677 -12.322 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.771 4.854 -13.943 1.00 0.00 H new ATOM 414 N ASP A 25 -3.002 9.205 -13.567 1.00 0.00 N ATOM 415 CA ASP A 25 -3.800 10.289 -14.131 1.00 0.00 C ATOM 416 C ASP A 25 -3.155 10.850 -15.395 1.00 0.00 C ATOM 417 O ASP A 25 -3.847 11.309 -16.303 1.00 0.00 O ATOM 418 CB ASP A 25 -3.995 11.405 -13.103 1.00 0.00 C ATOM 419 CG ASP A 25 -5.010 12.443 -13.548 1.00 0.00 C ATOM 420 OD1 ASP A 25 -4.637 13.370 -14.292 1.00 0.00 O ATOM 421 OD2 ASP A 25 -6.190 12.337 -13.141 1.00 0.00 O1- ATOM 0 H ASP A 25 -2.575 9.422 -12.666 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.774 9.879 -14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.318 10.970 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.039 11.894 -12.919 1.00 0.00 H new ATOM 426 N LYS A 26 -1.830 10.790 -15.461 1.00 0.00 N ATOM 427 CA LYS A 26 -1.099 11.300 -16.621 1.00 0.00 C ATOM 428 C LYS A 26 -1.178 10.320 -17.782 1.00 0.00 C ATOM 429 O LYS A 26 -0.916 10.679 -18.926 1.00 0.00 O ATOM 430 CB LYS A 26 0.371 11.545 -16.273 1.00 0.00 C ATOM 431 CG LYS A 26 0.600 12.594 -15.203 1.00 0.00 C ATOM 432 CD LYS A 26 2.081 12.743 -14.903 1.00 0.00 C ATOM 433 CE LYS A 26 2.330 13.738 -13.785 1.00 0.00 C ATOM 434 NZ LYS A 26 3.777 13.897 -13.502 1.00 0.00 N ATOM 0 H LYS A 26 -1.239 10.395 -14.729 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.562 12.243 -16.912 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.814 10.605 -15.943 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.900 11.846 -17.177 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.193 13.550 -15.532 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.066 12.316 -14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.496 11.774 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.604 13.068 -15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.904 14.704 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.817 13.406 -12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.907 14.585 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.178 12.980 -13.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.262 14.238 -14.356 1.00 0.00 H new ATOM 448 N GLY A 27 -1.542 9.084 -17.481 1.00 0.00 N ATOM 449 CA GLY A 27 -1.630 8.074 -18.511 1.00 0.00 C ATOM 450 C GLY A 27 -0.270 7.534 -18.885 1.00 0.00 C ATOM 451 O GLY A 27 -0.058 7.083 -20.009 1.00 0.00 O ATOM 0 H GLY A 27 -1.778 8.763 -16.542 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.263 7.257 -18.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.109 8.497 -19.394 1.00 0.00 H new ATOM 455 N ASP A 28 0.653 7.588 -17.942 1.00 0.00 N ATOM 456 CA ASP A 28 2.007 7.112 -18.169 1.00 0.00 C ATOM 457 C ASP A 28 2.123 5.659 -17.726 1.00 0.00 C ATOM 458 O ASP A 28 2.374 5.373 -16.556 1.00 0.00 O ATOM 459 CB ASP A 28 3.011 7.984 -17.404 1.00 0.00 C ATOM 460 CG ASP A 28 4.452 7.755 -17.828 1.00 0.00 C ATOM 461 OD1 ASP A 28 4.939 6.614 -17.732 1.00 0.00 O ATOM 462 OD2 ASP A 28 5.115 8.730 -18.232 1.00 0.00 O1- ATOM 0 H ASP A 28 0.489 7.959 -17.006 1.00 0.00 H new ATOM 0 HA ASP A 28 2.233 7.177 -19.233 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.758 9.034 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.917 7.783 -16.337 1.00 0.00 H new ATOM 467 N ASP A 29 1.908 4.744 -18.661 1.00 0.00 N ATOM 468 CA ASP A 29 1.951 3.309 -18.364 1.00 0.00 C ATOM 469 C ASP A 29 3.373 2.842 -18.093 1.00 0.00 C ATOM 470 O ASP A 29 3.589 1.871 -17.363 1.00 0.00 O ATOM 471 CB ASP A 29 1.346 2.486 -19.512 1.00 0.00 C ATOM 472 CG ASP A 29 -0.153 2.671 -19.657 1.00 0.00 C ATOM 473 OD1 ASP A 29 -0.580 3.599 -20.379 1.00 0.00 O ATOM 474 OD2 ASP A 29 -0.917 1.877 -19.070 1.00 0.00 O1- ATOM 0 H ASP A 29 1.701 4.965 -19.635 1.00 0.00 H new ATOM 0 HA ASP A 29 1.355 3.150 -17.465 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.832 2.767 -20.446 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.561 1.430 -19.346 1.00 0.00 H new ATOM 479 N ASP A 30 4.341 3.538 -18.670 1.00 0.00 N ATOM 480 CA ASP A 30 5.746 3.177 -18.505 1.00 0.00 C ATOM 481 C ASP A 30 6.183 3.336 -17.055 1.00 0.00 C ATOM 482 O ASP A 30 6.745 2.416 -16.456 1.00 0.00 O ATOM 483 CB ASP A 30 6.630 4.031 -19.421 1.00 0.00 C ATOM 484 CG ASP A 30 8.110 3.830 -19.161 1.00 0.00 C ATOM 485 OD1 ASP A 30 8.640 2.750 -19.494 1.00 0.00 O ATOM 486 OD2 ASP A 30 8.756 4.758 -18.634 1.00 0.00 O1- ATOM 0 H ASP A 30 4.182 4.357 -19.257 1.00 0.00 H new ATOM 0 HA ASP A 30 5.860 2.129 -18.784 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.412 3.786 -20.461 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.381 5.083 -19.282 1.00 0.00 H new ATOM 491 N SER A 31 5.907 4.493 -16.493 1.00 0.00 N ATOM 492 CA SER A 31 6.246 4.771 -15.115 1.00 0.00 C ATOM 493 C SER A 31 5.333 3.994 -14.173 1.00 0.00 C ATOM 494 O SER A 31 5.758 3.537 -13.117 1.00 0.00 O ATOM 495 CB SER A 31 6.131 6.270 -14.843 1.00 0.00 C ATOM 496 OG SER A 31 6.809 7.020 -15.844 1.00 0.00 O ATOM 0 H SER A 31 5.444 5.263 -16.976 1.00 0.00 H new ATOM 0 HA SER A 31 7.274 4.455 -14.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.080 6.559 -14.815 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.551 6.499 -13.864 1.00 0.00 H new ATOM 0 HG SER A 31 6.401 6.843 -16.717 1.00 0.00 H new ATOM 502 N LEU A 32 4.083 3.815 -14.592 1.00 0.00 N ATOM 503 CA LEU A 32 3.078 3.151 -13.770 1.00 0.00 C ATOM 504 C LEU A 32 3.483 1.714 -13.454 1.00 0.00 C ATOM 505 O LEU A 32 3.443 1.296 -12.300 1.00 0.00 O ATOM 506 CB LEU A 32 1.731 3.162 -14.499 1.00 0.00 C ATOM 507 CG LEU A 32 0.519 2.694 -13.694 1.00 0.00 C ATOM 508 CD1 LEU A 32 0.212 3.669 -12.571 1.00 0.00 C ATOM 509 CD2 LEU A 32 -0.686 2.534 -14.603 1.00 0.00 C ATOM 0 H LEU A 32 3.741 4.123 -15.502 1.00 0.00 H new ATOM 0 HA LEU A 32 2.993 3.693 -12.828 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.539 4.177 -14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.817 2.533 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 32 0.752 1.726 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.654 3.317 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.072 3.739 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.002 4.652 -12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.542 2.200 -14.017 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.918 3.490 -15.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.465 1.796 -15.374 1.00 0.00 H new ATOM 521 N GLU A 33 3.910 0.982 -14.474 1.00 0.00 N ATOM 522 CA GLU A 33 4.317 -0.410 -14.298 1.00 0.00 C ATOM 523 C GLU A 33 5.532 -0.521 -13.381 1.00 0.00 C ATOM 524 O GLU A 33 5.569 -1.360 -12.480 1.00 0.00 O ATOM 525 CB GLU A 33 4.623 -1.055 -15.651 1.00 0.00 C ATOM 526 CG GLU A 33 3.402 -1.249 -16.535 1.00 0.00 C ATOM 527 CD GLU A 33 2.405 -2.217 -15.939 1.00 0.00 C ATOM 528 OE1 GLU A 33 1.355 -1.768 -15.448 1.00 0.00 O ATOM 529 OE2 GLU A 33 2.670 -3.436 -15.961 1.00 0.00 O1- ATOM 0 H GLU A 33 3.984 1.326 -15.431 1.00 0.00 H new ATOM 0 HA GLU A 33 3.487 -0.940 -13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.348 -0.437 -16.181 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.094 -2.023 -15.482 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.917 -0.286 -16.696 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.719 -1.614 -17.512 1.00 0.00 H new ATOM 536 N GLN A 34 6.510 0.343 -13.601 1.00 0.00 N ATOM 537 CA GLN A 34 7.737 0.322 -12.818 1.00 0.00 C ATOM 538 C GLN A 34 7.471 0.659 -11.354 1.00 0.00 C ATOM 539 O GLN A 34 8.017 0.017 -10.452 1.00 0.00 O ATOM 540 CB GLN A 34 8.767 1.278 -13.412 1.00 0.00 C ATOM 541 CG GLN A 34 9.173 0.914 -14.830 1.00 0.00 C ATOM 542 CD GLN A 34 10.190 1.867 -15.415 1.00 0.00 C ATOM 543 OE1 GLN A 34 11.010 2.442 -14.701 1.00 0.00 O ATOM 544 NE2 GLN A 34 10.139 2.051 -16.718 1.00 0.00 N ATOM 0 H GLN A 34 6.479 1.069 -14.317 1.00 0.00 H new ATOM 0 HA GLN A 34 8.139 -0.690 -12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.361 2.289 -13.406 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.654 1.287 -12.778 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.583 -0.096 -14.837 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.287 0.902 -15.464 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.444 1.555 -17.276 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.795 2.689 -17.169 1.00 0.00 H new ATOM 553 N VAL A 35 6.622 1.652 -11.117 1.00 0.00 N ATOM 554 CA VAL A 35 6.277 2.047 -9.757 1.00 0.00 C ATOM 555 C VAL A 35 5.497 0.936 -9.049 1.00 0.00 C ATOM 556 O VAL A 35 5.677 0.714 -7.854 1.00 0.00 O ATOM 557 CB VAL A 35 5.487 3.382 -9.719 1.00 0.00 C ATOM 558 CG1 VAL A 35 5.044 3.718 -8.301 1.00 0.00 C ATOM 559 CG2 VAL A 35 6.343 4.508 -10.274 1.00 0.00 C ATOM 0 H VAL A 35 6.161 2.197 -11.846 1.00 0.00 H new ATOM 0 HA VAL A 35 7.213 2.210 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 35 4.596 3.266 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.493 4.658 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.402 2.923 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.920 3.814 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.781 5.441 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.246 4.609 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.617 4.283 -11.305 1.00 0.00 H new ATOM 569 N LEU A 36 4.652 0.221 -9.795 1.00 0.00 N ATOM 570 CA LEU A 36 3.896 -0.902 -9.229 1.00 0.00 C ATOM 571 C LEU A 36 4.853 -1.972 -8.707 1.00 0.00 C ATOM 572 O LEU A 36 4.599 -2.608 -7.681 1.00 0.00 O ATOM 573 CB LEU A 36 2.945 -1.505 -10.270 1.00 0.00 C ATOM 574 CG LEU A 36 1.804 -0.597 -10.744 1.00 0.00 C ATOM 575 CD1 LEU A 36 1.030 -1.254 -11.869 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.871 -0.256 -9.593 1.00 0.00 C ATOM 0 H LEU A 36 4.474 0.396 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 36 3.297 -0.525 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.531 -1.802 -11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.510 -2.413 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 36 2.243 0.328 -11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.225 -0.593 -12.191 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.699 -1.446 -12.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.608 -2.196 -11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.069 0.389 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.444 -1.173 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.430 0.261 -8.813 1.00 0.00 H new ATOM 588 N GLU A 37 5.956 -2.161 -9.420 1.00 0.00 N ATOM 589 CA GLU A 37 6.991 -3.095 -8.999 1.00 0.00 C ATOM 590 C GLU A 37 7.696 -2.577 -7.742 1.00 0.00 C ATOM 591 O GLU A 37 8.033 -3.347 -6.838 1.00 0.00 O ATOM 592 CB GLU A 37 8.009 -3.310 -10.126 1.00 0.00 C ATOM 593 CG GLU A 37 7.856 -4.634 -10.870 1.00 0.00 C ATOM 594 CD GLU A 37 6.472 -4.846 -11.447 1.00 0.00 C ATOM 595 OE1 GLU A 37 5.627 -5.451 -10.756 1.00 0.00 O ATOM 596 OE2 GLU A 37 6.225 -4.422 -12.598 1.00 0.00 O1- ATOM 0 H GLU A 37 6.157 -1.678 -10.296 1.00 0.00 H new ATOM 0 HA GLU A 37 6.520 -4.051 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.919 -2.493 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.014 -3.257 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.588 -4.675 -11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.087 -5.453 -10.189 1.00 0.00 H new ATOM 603 N GLU A 38 7.913 -1.268 -7.693 1.00 0.00 N ATOM 604 CA GLU A 38 8.568 -0.636 -6.553 1.00 0.00 C ATOM 605 C GLU A 38 7.696 -0.668 -5.309 1.00 0.00 C ATOM 606 O GLU A 38 8.171 -0.982 -4.221 1.00 0.00 O ATOM 607 CB GLU A 38 8.973 0.799 -6.884 1.00 0.00 C ATOM 608 CG GLU A 38 10.074 0.892 -7.920 1.00 0.00 C ATOM 609 CD GLU A 38 11.280 0.067 -7.537 1.00 0.00 C ATOM 610 OE1 GLU A 38 12.071 0.518 -6.687 1.00 0.00 O ATOM 611 OE2 GLU A 38 11.440 -1.045 -8.083 1.00 0.00 O1- ATOM 0 H GLU A 38 7.643 -0.620 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 38 9.468 -1.212 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.099 1.341 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.301 1.295 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.694 0.554 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.371 1.934 -8.042 1.00 0.00 H new ATOM 618 N ILE A 39 6.421 -0.348 -5.473 1.00 0.00 N ATOM 619 CA ILE A 39 5.487 -0.351 -4.356 1.00 0.00 C ATOM 620 C ILE A 39 5.402 -1.735 -3.739 1.00 0.00 C ATOM 621 O ILE A 39 5.353 -1.875 -2.526 1.00 0.00 O ATOM 622 CB ILE A 39 4.071 0.114 -4.781 1.00 0.00 C ATOM 623 CG1 ILE A 39 4.114 1.563 -5.271 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.087 -0.027 -3.622 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.776 2.086 -5.751 1.00 0.00 C ATOM 0 H ILE A 39 6.009 -0.083 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 39 5.868 0.357 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 39 3.730 -0.522 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.474 2.200 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.837 1.641 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.099 0.305 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.037 -1.071 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.422 0.584 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.887 3.119 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.423 1.474 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.054 2.042 -4.935 1.00 0.00 H new ATOM 637 N GLU A 40 5.426 -2.753 -4.584 1.00 0.00 N ATOM 638 CA GLU A 40 5.342 -4.133 -4.124 1.00 0.00 C ATOM 639 C GLU A 40 6.540 -4.448 -3.227 1.00 0.00 C ATOM 640 O GLU A 40 6.409 -5.115 -2.196 1.00 0.00 O ATOM 641 CB GLU A 40 5.285 -5.070 -5.337 1.00 0.00 C ATOM 642 CG GLU A 40 4.751 -6.472 -5.053 1.00 0.00 C ATOM 643 CD GLU A 40 5.780 -7.391 -4.442 1.00 0.00 C ATOM 644 OE1 GLU A 40 6.838 -7.599 -5.066 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.524 -7.933 -3.353 1.00 0.00 O1- ATOM 0 H GLU A 40 5.503 -2.651 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 40 4.435 -4.280 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.661 -4.609 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.288 -5.159 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.896 -6.398 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.389 -6.911 -5.983 1.00 0.00 H new ATOM 652 N GLU A 41 7.696 -3.927 -3.613 1.00 0.00 N ATOM 653 CA GLU A 41 8.917 -4.090 -2.843 1.00 0.00 C ATOM 654 C GLU A 41 8.792 -3.345 -1.505 1.00 0.00 C ATOM 655 O GLU A 41 9.148 -3.872 -0.446 1.00 0.00 O ATOM 656 CB GLU A 41 10.103 -3.542 -3.643 1.00 0.00 C ATOM 657 CG GLU A 41 11.451 -3.754 -2.984 1.00 0.00 C ATOM 658 CD GLU A 41 11.872 -5.203 -2.965 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.621 -5.619 -3.875 1.00 0.00 O ATOM 660 OE2 GLU A 41 11.481 -5.931 -2.032 1.00 0.00 O1- ATOM 0 H GLU A 41 7.812 -3.381 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 41 9.081 -5.149 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.113 -4.015 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.955 -2.474 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.204 -3.169 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.413 -3.378 -1.962 1.00 0.00 H new ATOM 667 N LEU A 42 8.265 -2.125 -1.570 1.00 0.00 N ATOM 668 CA LEU A 42 8.059 -1.294 -0.383 1.00 0.00 C ATOM 669 C LEU A 42 7.091 -1.962 0.587 1.00 0.00 C ATOM 670 O LEU A 42 7.272 -1.899 1.804 1.00 0.00 O ATOM 671 CB LEU A 42 7.536 0.090 -0.778 1.00 0.00 C ATOM 672 CG LEU A 42 8.459 0.922 -1.667 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.794 2.237 -2.041 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.790 1.178 -0.971 1.00 0.00 C ATOM 0 H LEU A 42 7.969 -1.685 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 42 9.021 -1.176 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.584 -0.036 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.334 0.654 0.132 1.00 0.00 H new ATOM 0 HG LEU A 42 8.653 0.359 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.465 2.817 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.869 2.036 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.570 2.802 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.432 1.772 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.616 1.719 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.275 0.227 -0.753 1.00 0.00 H new ATOM 686 N ILE A 43 6.060 -2.592 0.042 1.00 0.00 N ATOM 687 CA ILE A 43 5.082 -3.306 0.852 1.00 0.00 C ATOM 688 C ILE A 43 5.770 -4.415 1.647 1.00 0.00 C ATOM 689 O ILE A 43 5.525 -4.577 2.845 1.00 0.00 O ATOM 690 CB ILE A 43 3.955 -3.919 -0.020 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.164 -2.818 -0.732 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.023 -4.772 0.832 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.182 -3.339 -1.764 1.00 0.00 C ATOM 0 H ILE A 43 5.878 -2.623 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 43 4.631 -2.586 1.535 1.00 0.00 H new ATOM 0 HB ILE A 43 4.417 -4.556 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.620 -2.236 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.863 -2.139 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.239 -5.194 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.590 -5.579 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.572 -4.154 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.660 -2.501 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.721 -3.897 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.459 -3.995 -1.279 1.00 0.00 H new ATOM 705 N GLN A 44 6.655 -5.156 0.979 1.00 0.00 N ATOM 706 CA GLN A 44 7.405 -6.219 1.623 1.00 0.00 C ATOM 707 C GLN A 44 8.291 -5.643 2.720 1.00 0.00 C ATOM 708 O GLN A 44 8.456 -6.243 3.782 1.00 0.00 O ATOM 709 CB GLN A 44 8.266 -6.955 0.604 1.00 0.00 C ATOM 710 CG GLN A 44 9.012 -8.132 1.192 1.00 0.00 C ATOM 711 CD GLN A 44 10.099 -8.649 0.283 1.00 0.00 C ATOM 712 OE1 GLN A 44 11.239 -8.197 0.350 1.00 0.00 O ATOM 713 NE2 GLN A 44 9.761 -9.590 -0.565 1.00 0.00 N ATOM 0 H GLN A 44 6.866 -5.034 -0.011 1.00 0.00 H new ATOM 0 HA GLN A 44 6.698 -6.923 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.633 -7.305 -0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.984 -6.257 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.451 -7.838 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.306 -8.936 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.802 -9.937 -0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.457 -9.976 -1.203 1.00 0.00 H new ATOM 722 N LYS A 45 8.846 -4.469 2.455 1.00 0.00 N ATOM 723 CA LYS A 45 9.690 -3.771 3.415 1.00 0.00 C ATOM 724 C LYS A 45 8.897 -3.464 4.679 1.00 0.00 C ATOM 725 O LYS A 45 9.369 -3.691 5.793 1.00 0.00 O ATOM 726 CB LYS A 45 10.209 -2.471 2.789 1.00 0.00 C ATOM 727 CG LYS A 45 10.932 -1.547 3.753 1.00 0.00 C ATOM 728 CD LYS A 45 11.230 -0.210 3.098 1.00 0.00 C ATOM 729 CE LYS A 45 11.876 0.755 4.073 1.00 0.00 C ATOM 730 NZ LYS A 45 12.184 2.059 3.436 1.00 0.00 N ATOM 0 H LYS A 45 8.725 -3.974 1.571 1.00 0.00 H new ATOM 0 HA LYS A 45 10.537 -4.405 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.885 -2.722 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.368 -1.933 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.322 -1.393 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.862 -2.012 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.889 -0.361 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.306 0.223 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.211 0.913 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.794 0.316 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.744 2.641 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.727 1.899 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.297 2.551 3.207 1.00 0.00 H new ATOM 744 N HIS A 46 7.682 -2.976 4.494 1.00 0.00 N ATOM 745 CA HIS A 46 6.805 -2.657 5.606 1.00 0.00 C ATOM 746 C HIS A 46 6.437 -3.931 6.367 1.00 0.00 C ATOM 747 O HIS A 46 6.491 -3.970 7.596 1.00 0.00 O ATOM 748 CB HIS A 46 5.534 -1.951 5.095 1.00 0.00 C ATOM 749 CG HIS A 46 4.625 -1.437 6.181 1.00 0.00 C ATOM 750 ND1 HIS A 46 4.427 -0.100 6.450 1.00 0.00 N ATOM 751 CD2 HIS A 46 3.843 -2.111 7.064 1.00 0.00 C ATOM 752 CE1 HIS A 46 3.556 -0.007 7.462 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.170 -1.200 7.870 1.00 0.00 N ATOM 0 H HIS A 46 7.279 -2.791 3.576 1.00 0.00 H new ATOM 0 HA HIS A 46 7.327 -1.983 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.828 -1.116 4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.974 -2.646 4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.758 -3.186 7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.214 0.924 7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.513 -1.411 8.622 1.00 0.00 H new ATOM 761 N ARG A 47 6.087 -4.974 5.624 1.00 0.00 N ATOM 762 CA ARG A 47 5.692 -6.243 6.219 1.00 0.00 C ATOM 763 C ARG A 47 6.821 -6.856 7.030 1.00 0.00 C ATOM 764 O ARG A 47 6.597 -7.355 8.124 1.00 0.00 O ATOM 765 CB ARG A 47 5.224 -7.226 5.149 1.00 0.00 C ATOM 766 CG ARG A 47 3.970 -6.788 4.410 1.00 0.00 C ATOM 767 CD ARG A 47 2.807 -6.577 5.363 1.00 0.00 C ATOM 768 NE ARG A 47 1.579 -6.237 4.655 1.00 0.00 N ATOM 769 CZ ARG A 47 0.467 -5.794 5.241 1.00 0.00 C ATOM 770 NH1 ARG A 47 0.432 -5.599 6.553 1.00 0.00 N ATOM 771 NH2 ARG A 47 -0.608 -5.540 4.513 1.00 0.00 N ATOM 0 H ARG A 47 6.069 -4.965 4.604 1.00 0.00 H new ATOM 0 HA ARG A 47 4.862 -6.037 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.027 -7.369 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.039 -8.193 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.170 -5.864 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.702 -7.541 3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.649 -7.482 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.053 -5.781 6.066 1.00 0.00 H new ATOM 0 HE ARG A 47 1.570 -6.346 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.259 -5.788 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.422 -5.260 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.586 -5.683 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.459 -5.201 4.961 1.00 0.00 H new ATOM 785 N GLN A 48 8.034 -6.804 6.498 1.00 0.00 N ATOM 786 CA GLN A 48 9.194 -7.362 7.183 1.00 0.00 C ATOM 787 C GLN A 48 9.442 -6.628 8.499 1.00 0.00 C ATOM 788 O GLN A 48 9.692 -7.249 9.534 1.00 0.00 O ATOM 789 CB GLN A 48 10.432 -7.277 6.286 1.00 0.00 C ATOM 790 CG GLN A 48 11.655 -7.977 6.855 1.00 0.00 C ATOM 791 CD GLN A 48 12.861 -7.878 5.940 1.00 0.00 C ATOM 792 OE1 GLN A 48 12.725 -7.787 4.720 1.00 0.00 O ATOM 793 NE2 GLN A 48 14.042 -7.900 6.517 1.00 0.00 N ATOM 0 H GLN A 48 8.242 -6.381 5.593 1.00 0.00 H new ATOM 0 HA GLN A 48 8.994 -8.410 7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.195 -7.712 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.673 -6.228 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.901 -7.541 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.420 -9.027 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.113 -7.976 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.888 -7.841 5.950 1.00 0.00 H new ATOM 802 N LEU A 49 9.346 -5.308 8.457 1.00 0.00 N ATOM 803 CA LEU A 49 9.555 -4.488 9.640 1.00 0.00 C ATOM 804 C LEU A 49 8.453 -4.730 10.670 1.00 0.00 C ATOM 805 O LEU A 49 8.705 -4.721 11.874 1.00 0.00 O ATOM 806 CB LEU A 49 9.615 -3.005 9.259 1.00 0.00 C ATOM 807 CG LEU A 49 10.765 -2.606 8.326 1.00 0.00 C ATOM 808 CD1 LEU A 49 10.678 -1.132 7.967 1.00 0.00 C ATOM 809 CD2 LEU A 49 12.113 -2.927 8.959 1.00 0.00 C ATOM 0 H LEU A 49 9.124 -4.780 7.613 1.00 0.00 H new ATOM 0 HA LEU A 49 10.508 -4.771 10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.673 -2.732 8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.692 -2.416 10.173 1.00 0.00 H new ATOM 0 HG LEU A 49 10.674 -3.187 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.503 -0.870 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.732 -0.935 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.737 -0.532 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.913 -2.635 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.215 -2.379 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.177 -3.997 9.156 1.00 0.00 H new ATOM 821 N PHE A 50 7.238 -4.954 10.187 1.00 0.00 N ATOM 822 CA PHE A 50 6.091 -5.210 11.054 1.00 0.00 C ATOM 823 C PHE A 50 6.175 -6.612 11.665 1.00 0.00 C ATOM 824 O PHE A 50 5.896 -6.803 12.850 1.00 0.00 O ATOM 825 CB PHE A 50 4.786 -5.053 10.260 1.00 0.00 C ATOM 826 CG PHE A 50 3.537 -5.224 11.084 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.047 -4.177 11.845 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.854 -6.432 11.092 1.00 0.00 C ATOM 829 CE1 PHE A 50 1.900 -4.327 12.599 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.705 -6.588 11.845 1.00 0.00 C ATOM 831 CZ PHE A 50 1.228 -5.534 12.600 1.00 0.00 C ATOM 0 H PHE A 50 7.019 -4.964 9.191 1.00 0.00 H new ATOM 0 HA PHE A 50 6.102 -4.483 11.866 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.771 -4.065 9.799 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.776 -5.783 9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.568 -3.231 11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.224 -7.259 10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.528 -3.501 13.188 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.181 -7.532 11.843 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.331 -5.653 13.190 1.00 0.00 H new ATOM 841 N ASP A 51 6.584 -7.575 10.850 1.00 0.00 N ATOM 842 CA ASP A 51 6.711 -8.973 11.278 1.00 0.00 C ATOM 843 C ASP A 51 7.751 -9.109 12.382 1.00 0.00 C ATOM 844 O ASP A 51 7.596 -9.904 13.302 1.00 0.00 O ATOM 845 CB ASP A 51 7.090 -9.846 10.070 1.00 0.00 C ATOM 846 CG ASP A 51 7.495 -11.262 10.441 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.609 -12.133 10.574 1.00 0.00 O ATOM 848 OD2 ASP A 51 8.712 -11.517 10.560 1.00 0.00 O1- ATOM 0 H ASP A 51 6.838 -7.416 9.875 1.00 0.00 H new ATOM 0 HA ASP A 51 5.754 -9.309 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.244 -9.888 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.912 -9.371 9.534 1.00 0.00 H new ATOM 853 N ASN A 52 8.794 -8.299 12.300 1.00 0.00 N ATOM 854 CA ASN A 52 9.860 -8.313 13.301 1.00 0.00 C ATOM 855 C ASN A 52 9.392 -7.727 14.632 1.00 0.00 C ATOM 856 O ASN A 52 10.004 -7.964 15.673 1.00 0.00 O ATOM 857 CB ASN A 52 11.086 -7.547 12.796 1.00 0.00 C ATOM 858 CG ASN A 52 11.951 -8.355 11.839 1.00 0.00 C ATOM 859 OD1 ASN A 52 11.350 -9.290 11.127 1.00 0.00 O flip ATOM 860 ND2 ASN A 52 13.155 -8.136 11.749 1.00 0.00 N flip ATOM 0 H ASN A 52 8.930 -7.620 11.551 1.00 0.00 H new ATOM 0 HA ASN A 52 10.134 -9.355 13.468 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.756 -6.637 12.295 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.690 -7.240 13.649 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.584 -7.405 12.316 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.727 -8.685 11.107 1.00 0.00 H new ATOM 867 N ARG A 53 8.316 -6.953 14.593 1.00 0.00 N ATOM 868 CA ARG A 53 7.778 -6.336 15.802 1.00 0.00 C ATOM 869 C ARG A 53 7.034 -7.360 16.640 1.00 0.00 C ATOM 870 O ARG A 53 7.099 -7.337 17.873 1.00 0.00 O ATOM 871 CB ARG A 53 6.860 -5.157 15.454 1.00 0.00 C ATOM 872 CG ARG A 53 7.542 -4.074 14.636 1.00 0.00 C ATOM 873 CD ARG A 53 8.717 -3.467 15.385 1.00 0.00 C ATOM 874 NE ARG A 53 9.571 -2.662 14.511 1.00 0.00 N ATOM 875 CZ ARG A 53 10.568 -1.887 14.951 1.00 0.00 C ATOM 876 NH1 ARG A 53 10.778 -1.753 16.253 1.00 0.00 N ATOM 877 NH2 ARG A 53 11.341 -1.237 14.087 1.00 0.00 N ATOM 0 H ARG A 53 7.798 -6.737 13.741 1.00 0.00 H new ATOM 0 HA ARG A 53 8.615 -5.954 16.387 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.998 -5.530 14.900 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.481 -4.718 16.377 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.889 -4.494 13.692 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.822 -3.293 14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.345 -2.846 16.200 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.309 -4.263 15.836 1.00 0.00 H new ATOM 0 HE ARG A 53 9.395 -2.694 13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.179 -2.241 16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.538 -1.162 16.589 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.175 -1.328 13.085 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.101 -0.647 14.426 1.00 0.00 H new ATOM 891 N GLN A 54 6.336 -8.259 15.975 1.00 0.00 N ATOM 892 CA GLN A 54 5.594 -9.301 16.653 1.00 0.00 C ATOM 893 C GLN A 54 5.624 -10.582 15.837 1.00 0.00 C ATOM 894 O GLN A 54 4.728 -10.846 15.031 1.00 0.00 O ATOM 895 CB GLN A 54 4.152 -8.858 16.930 1.00 0.00 C ATOM 896 CG GLN A 54 3.350 -9.848 17.760 1.00 0.00 C ATOM 897 CD GLN A 54 2.011 -9.291 18.198 1.00 0.00 C ATOM 898 OE1 GLN A 54 1.863 -8.083 18.393 1.00 0.00 O ATOM 899 NE2 GLN A 54 1.031 -10.161 18.360 1.00 0.00 N ATOM 0 H GLN A 54 6.268 -8.288 14.958 1.00 0.00 H new ATOM 0 HA GLN A 54 6.070 -9.494 17.615 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.170 -7.898 17.446 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.642 -8.700 15.980 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.189 -10.757 17.180 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.927 -10.130 18.640 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.196 -11.153 18.188 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.109 -9.841 18.657 1.00 0.00 H new ATOM 908 N GLU A 55 6.671 -11.369 16.045 1.00 0.00 N ATOM 909 CA GLU A 55 6.875 -12.615 15.320 1.00 0.00 C ATOM 910 C GLU A 55 5.786 -13.635 15.648 1.00 0.00 C ATOM 911 O GLU A 55 5.605 -14.613 14.926 1.00 0.00 O ATOM 912 CB GLU A 55 8.257 -13.210 15.636 1.00 0.00 C ATOM 913 CG GLU A 55 9.410 -12.212 15.551 1.00 0.00 C ATOM 914 CD GLU A 55 9.716 -11.551 16.885 1.00 0.00 C ATOM 915 OE1 GLU A 55 10.738 -11.915 17.510 1.00 0.00 O ATOM 916 OE2 GLU A 55 8.937 -10.680 17.323 1.00 0.00 O1- ATOM 0 H GLU A 55 7.404 -11.161 16.723 1.00 0.00 H new ATOM 0 HA GLU A 55 6.822 -12.385 14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.235 -13.636 16.639 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.452 -14.031 14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.302 -12.724 15.191 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.166 -11.444 14.817 1.00 0.00 H new ATOM 923 N ALA A 56 5.072 -13.404 16.741 1.00 0.00 N ATOM 924 CA ALA A 56 3.997 -14.290 17.155 1.00 0.00 C ATOM 925 C ALA A 56 2.764 -14.111 16.270 1.00 0.00 C ATOM 926 O ALA A 56 1.922 -14.999 16.178 1.00 0.00 O ATOM 927 CB ALA A 56 3.643 -14.046 18.613 1.00 0.00 C ATOM 0 H ALA A 56 5.220 -12.606 17.359 1.00 0.00 H new ATOM 0 HA ALA A 56 4.344 -15.317 17.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.836 -14.717 18.909 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.518 -14.233 19.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.321 -13.013 18.741 1.00 0.00 H new ATOM 933 N ALA A 57 2.679 -12.967 15.605 1.00 0.00 N ATOM 934 CA ALA A 57 1.548 -12.660 14.734 1.00 0.00 C ATOM 935 C ALA A 57 1.933 -12.866 13.276 1.00 0.00 C ATOM 936 O ALA A 57 1.385 -12.224 12.374 1.00 0.00 O ATOM 937 CB ALA A 57 1.086 -11.228 14.964 1.00 0.00 C ATOM 0 H ALA A 57 3.383 -12.231 15.651 1.00 0.00 H new ATOM 0 HA ALA A 57 0.726 -13.335 14.973 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.242 -11.008 14.310 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.781 -11.107 16.003 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.904 -10.542 14.744 1.00 0.00 H new ATOM 943 N ASP A 58 2.844 -13.802 13.053 1.00 0.00 N ATOM 944 CA ASP A 58 3.386 -14.076 11.725 1.00 0.00 C ATOM 945 C ASP A 58 2.312 -14.528 10.732 1.00 0.00 C ATOM 946 O ASP A 58 2.346 -14.142 9.565 1.00 0.00 O ATOM 947 CB ASP A 58 4.502 -15.132 11.808 1.00 0.00 C ATOM 948 CG ASP A 58 4.015 -16.479 12.311 1.00 0.00 C ATOM 949 OD1 ASP A 58 3.816 -16.630 13.540 1.00 0.00 O ATOM 950 OD2 ASP A 58 3.833 -17.397 11.492 1.00 0.00 O1- ATOM 0 H ASP A 58 3.230 -14.395 13.787 1.00 0.00 H new ATOM 0 HA ASP A 58 3.797 -13.137 11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.947 -15.259 10.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.289 -14.768 12.468 1.00 0.00 H new ATOM 955 N THR A 59 1.355 -15.319 11.192 1.00 0.00 N ATOM 956 CA THR A 59 0.315 -15.835 10.315 1.00 0.00 C ATOM 957 C THR A 59 -0.728 -14.764 9.991 1.00 0.00 C ATOM 958 O THR A 59 -1.153 -14.630 8.838 1.00 0.00 O ATOM 959 CB THR A 59 -0.373 -17.075 10.929 1.00 0.00 C ATOM 960 OG1 THR A 59 0.624 -18.056 11.267 1.00 0.00 O ATOM 961 CG2 THR A 59 -1.368 -17.686 9.950 1.00 0.00 C ATOM 0 H THR A 59 1.277 -15.617 12.164 1.00 0.00 H new ATOM 0 HA THR A 59 0.801 -16.132 9.386 1.00 0.00 H new ATOM 0 HB THR A 59 -0.912 -16.763 11.824 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.190 -18.843 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.839 -18.557 10.406 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.132 -16.950 9.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.846 -17.989 9.042 1.00 0.00 H new ATOM 969 N GLU A 60 -1.121 -13.988 10.994 1.00 0.00 N ATOM 970 CA GLU A 60 -2.107 -12.940 10.789 1.00 0.00 C ATOM 971 C GLU A 60 -1.559 -11.864 9.868 1.00 0.00 C ATOM 972 O GLU A 60 -2.238 -11.425 8.946 1.00 0.00 O ATOM 973 CB GLU A 60 -2.556 -12.326 12.118 1.00 0.00 C ATOM 974 CG GLU A 60 -3.600 -11.230 11.949 1.00 0.00 C ATOM 975 CD GLU A 60 -4.173 -10.754 13.259 1.00 0.00 C ATOM 976 OE1 GLU A 60 -3.796 -9.659 13.716 1.00 0.00 O ATOM 977 OE2 GLU A 60 -5.017 -11.468 13.835 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.774 -14.065 11.950 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.979 -13.394 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.963 -13.111 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.688 -11.916 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.150 -10.385 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.408 -11.600 11.319 1.00 0.00 H new ATOM 984 N ALA A 61 -0.317 -11.462 10.105 1.00 0.00 N ATOM 985 CA ALA A 61 0.324 -10.447 9.284 1.00 0.00 C ATOM 986 C ALA A 61 0.473 -10.933 7.848 1.00 0.00 C ATOM 987 O ALA A 61 0.310 -10.164 6.901 1.00 0.00 O ATOM 988 CB ALA A 61 1.681 -10.073 9.863 1.00 0.00 C ATOM 0 H ALA A 61 0.266 -11.824 10.860 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.308 -9.559 9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.147 -9.312 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.551 -9.682 10.872 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.319 -10.956 9.896 1.00 0.00 H new ATOM 994 N ALA A 62 0.764 -12.218 7.696 1.00 0.00 N ATOM 995 CA ALA A 62 0.929 -12.814 6.380 1.00 0.00 C ATOM 996 C ALA A 62 -0.397 -12.868 5.627 1.00 0.00 C ATOM 997 O ALA A 62 -0.452 -12.563 4.437 1.00 0.00 O ATOM 998 CB ALA A 62 1.533 -14.205 6.498 1.00 0.00 C ATOM 0 H ALA A 62 0.891 -12.868 8.472 1.00 0.00 H new ATOM 0 HA ALA A 62 1.612 -12.184 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.650 -14.637 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.508 -14.139 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.875 -14.838 7.093 1.00 0.00 H new ATOM 1004 N LYS A 63 -1.467 -13.247 6.323 1.00 0.00 N ATOM 1005 CA LYS A 63 -2.780 -13.324 5.697 1.00 0.00 C ATOM 1006 C LYS A 63 -3.337 -11.928 5.428 1.00 0.00 C ATOM 1007 O LYS A 63 -3.976 -11.693 4.401 1.00 0.00 O ATOM 1008 CB LYS A 63 -3.760 -14.146 6.546 1.00 0.00 C ATOM 1009 CG LYS A 63 -5.138 -14.305 5.906 1.00 0.00 C ATOM 1010 CD LYS A 63 -5.031 -14.897 4.504 1.00 0.00 C ATOM 1011 CE LYS A 63 -6.382 -14.956 3.811 1.00 0.00 C ATOM 1012 NZ LYS A 63 -6.260 -15.427 2.406 1.00 0.00 N ATOM 0 H LYS A 63 -1.449 -13.503 7.310 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.660 -13.835 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.335 -15.134 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.873 -13.669 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.759 -14.949 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.633 -13.335 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.343 -14.298 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.610 -15.900 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.045 -15.623 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.841 -13.968 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.198 -15.697 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.870 -14.664 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.626 -16.250 2.370 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.089 -11.006 6.348 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.526 -9.629 6.177 1.00 0.00 C ATOM 1028 C GLN A 64 -2.809 -9.041 4.966 1.00 0.00 C ATOM 1029 O GLN A 64 -3.405 -8.338 4.146 1.00 0.00 O ATOM 1030 CB GLN A 64 -3.219 -8.819 7.452 1.00 0.00 C ATOM 1031 CG GLN A 64 -4.105 -7.591 7.663 1.00 0.00 C ATOM 1032 CD GLN A 64 -3.774 -6.433 6.739 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.627 -6.245 6.341 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -4.777 -5.652 6.397 1.00 0.00 N ATOM 0 H GLN A 64 -2.589 -11.187 7.218 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.602 -9.590 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.322 -9.476 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.178 -8.497 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.147 -7.876 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.009 -7.258 8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.715 -5.843 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.616 -4.856 5.780 1.00 0.00 H new ATOM 1043 N GLY A 65 -1.527 -9.368 4.852 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.750 -8.941 3.718 1.00 0.00 C ATOM 1045 C GLY A 65 -1.234 -9.587 2.438 1.00 0.00 C ATOM 1046 O GLY A 65 -1.242 -8.961 1.387 1.00 0.00 O ATOM 0 H GLY A 65 -1.014 -9.926 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.808 -7.857 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.299 -9.191 3.879 1.00 0.00 H new ATOM 1050 N ASP A 66 -1.660 -10.843 2.540 1.00 0.00 N ATOM 1051 CA ASP A 66 -2.180 -11.594 1.393 1.00 0.00 C ATOM 1052 C ASP A 66 -3.410 -10.909 0.813 1.00 0.00 C ATOM 1053 O ASP A 66 -3.552 -10.791 -0.409 1.00 0.00 O ATOM 1054 CB ASP A 66 -2.536 -13.023 1.824 1.00 0.00 C ATOM 1055 CG ASP A 66 -3.390 -13.762 0.810 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -2.832 -14.301 -0.170 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -4.623 -13.825 0.999 1.00 0.00 O1- ATOM 0 H ASP A 66 -1.656 -11.370 3.414 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.408 -11.629 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.617 -13.584 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.065 -12.986 2.776 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.278 -10.437 1.692 1.00 0.00 N ATOM 1063 CA GLN A 67 -5.482 -9.735 1.279 1.00 0.00 C ATOM 1064 C GLN A 67 -5.123 -8.379 0.684 1.00 0.00 C ATOM 1065 O GLN A 67 -5.757 -7.911 -0.265 1.00 0.00 O ATOM 1066 CB GLN A 67 -6.426 -9.573 2.469 1.00 0.00 C ATOM 1067 CG GLN A 67 -6.976 -10.894 2.986 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.703 -10.754 4.308 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -7.368 -9.905 5.128 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -8.707 -11.586 4.520 1.00 0.00 N ATOM 0 H GLN A 67 -4.170 -10.528 2.702 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.990 -10.320 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.897 -9.067 3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.257 -8.930 2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.657 -11.313 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.156 -11.603 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.954 -12.278 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.235 -11.536 5.391 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.087 -7.767 1.238 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.597 -6.493 0.761 1.00 0.00 C ATOM 1081 C TRP A 68 -2.999 -6.647 -0.640 1.00 0.00 C ATOM 1082 O TRP A 68 -3.306 -5.868 -1.545 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.555 -5.947 1.745 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.840 -4.726 1.270 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.642 -4.689 0.633 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.270 -3.368 1.399 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.296 -3.393 0.353 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.278 -2.563 0.811 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.396 -2.754 1.949 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.374 -1.178 0.759 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.492 -1.379 1.896 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.486 -0.605 1.305 1.00 0.00 C ATOM 0 H TRP A 68 -3.566 -8.143 2.030 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.424 -5.786 0.697 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.049 -5.720 2.690 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.821 -6.727 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.048 -5.555 0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.557 -3.097 -0.121 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.177 -3.343 2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.599 -0.578 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.358 -0.891 2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.592 0.469 1.281 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.155 -7.663 -0.811 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.539 -7.943 -2.102 1.00 0.00 C ATOM 1105 C VAL A 69 -2.606 -8.273 -3.137 1.00 0.00 C ATOM 1106 O VAL A 69 -2.526 -7.835 -4.282 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.515 -9.111 -2.015 1.00 0.00 C ATOM 1108 CG1 VAL A 69 0.034 -9.463 -3.393 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.625 -8.752 -1.076 1.00 0.00 C ATOM 0 H VAL A 69 -1.883 -8.306 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.000 -7.045 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.036 -9.983 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.747 -10.282 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.786 -9.766 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.533 -8.593 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.331 -9.581 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.134 -7.862 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.228 -8.555 -0.080 1.00 0.00 H new ATOM 1119 N GLN A 70 -3.623 -9.018 -2.719 1.00 0.00 N ATOM 1120 CA GLN A 70 -4.704 -9.392 -3.606 1.00 0.00 C ATOM 1121 C GLN A 70 -5.438 -8.147 -4.099 1.00 0.00 C ATOM 1122 O GLN A 70 -5.767 -8.039 -5.281 1.00 0.00 O ATOM 1123 CB GLN A 70 -5.672 -10.335 -2.894 1.00 0.00 C ATOM 1124 CG GLN A 70 -6.809 -10.837 -3.767 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.323 -11.576 -5.004 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -6.135 -12.791 -4.986 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -6.114 -10.847 -6.084 1.00 0.00 N ATOM 0 H GLN A 70 -3.716 -9.373 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.285 -9.912 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.114 -11.192 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.092 -9.821 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.445 -11.500 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.426 -9.992 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.281 -9.841 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.785 -11.289 -6.942 1.00 0.00 H new ATOM 1136 N LEU A 71 -5.668 -7.205 -3.193 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.326 -5.967 -3.523 1.00 0.00 C ATOM 1138 C LEU A 71 -5.462 -5.146 -4.482 1.00 0.00 C ATOM 1139 O LEU A 71 -5.961 -4.583 -5.459 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.608 -5.180 -2.243 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.144 -3.774 -2.438 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -8.529 -3.800 -3.074 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.164 -3.014 -1.122 1.00 0.00 C ATOM 0 H LEU A 71 -5.400 -7.287 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.272 -6.184 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.324 -5.742 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.686 -5.120 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.473 -3.250 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.890 -2.779 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.474 -4.290 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.215 -4.349 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.552 -2.009 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.803 -3.537 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.152 -2.951 -0.723 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.164 -5.102 -4.200 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.211 -4.380 -5.036 1.00 0.00 C ATOM 1157 C PHE A 72 -3.178 -4.974 -6.447 1.00 0.00 C ATOM 1158 O PHE A 72 -3.174 -4.244 -7.442 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.814 -4.426 -4.397 1.00 0.00 C ATOM 1160 CG PHE A 72 -0.765 -3.647 -5.146 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.754 -2.262 -5.113 1.00 0.00 C ATOM 1162 CD2 PHE A 72 0.215 -4.304 -5.876 1.00 0.00 C ATOM 1163 CE1 PHE A 72 0.212 -1.546 -5.793 1.00 0.00 C ATOM 1164 CE2 PHE A 72 1.184 -3.592 -6.558 1.00 0.00 C ATOM 1165 CZ PHE A 72 1.181 -2.212 -6.517 1.00 0.00 C ATOM 0 H PHE A 72 -3.745 -5.562 -3.392 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.527 -3.340 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.879 -4.040 -3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.495 -5.466 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.510 -1.736 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.221 -5.383 -5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.209 -0.467 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.942 -4.115 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.936 -1.654 -7.051 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.173 -6.302 -6.523 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.163 -6.994 -7.804 1.00 0.00 C ATOM 1177 C GLN A 73 -4.446 -6.724 -8.582 1.00 0.00 C ATOM 1178 O GLN A 73 -4.411 -6.558 -9.797 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.958 -8.497 -7.612 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.582 -8.862 -7.076 1.00 0.00 C ATOM 1181 CD GLN A 73 -1.415 -10.351 -6.848 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.378 -11.060 -6.552 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -0.195 -10.834 -6.984 1.00 0.00 N ATOM 0 H GLN A 73 -3.176 -6.919 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.326 -6.606 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.717 -8.874 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.112 -9.001 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.821 -8.519 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.411 -8.334 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.575 -10.212 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.022 -11.829 -6.843 1.00 0.00 H new ATOM 1192 N ARG A 74 -5.576 -6.649 -7.869 1.00 0.00 N ATOM 1193 CA ARG A 74 -6.868 -6.367 -8.508 1.00 0.00 C ATOM 1194 C ARG A 74 -6.818 -5.037 -9.233 1.00 0.00 C ATOM 1195 O ARG A 74 -7.392 -4.885 -10.312 1.00 0.00 O ATOM 1196 CB ARG A 74 -8.004 -6.321 -7.482 1.00 0.00 C ATOM 1197 CG ARG A 74 -8.329 -7.645 -6.822 1.00 0.00 C ATOM 1198 CD ARG A 74 -9.463 -7.477 -5.824 1.00 0.00 C ATOM 1199 NE ARG A 74 -9.721 -8.694 -5.060 1.00 0.00 N ATOM 1200 CZ ARG A 74 -10.334 -8.716 -3.871 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -10.793 -7.591 -3.335 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -10.507 -9.861 -3.233 1.00 0.00 N ATOM 0 H ARG A 74 -5.623 -6.778 -6.858 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.061 -7.174 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.743 -5.601 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.902 -5.948 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.609 -8.377 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.445 -8.032 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.221 -6.666 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.370 -7.186 -6.355 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.415 -9.582 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.679 -6.707 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.260 -7.611 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.173 -10.731 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.975 -9.874 -2.327 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.125 -4.078 -8.630 1.00 0.00 N ATOM 1217 CA PHE A 75 -5.981 -2.755 -9.203 1.00 0.00 C ATOM 1218 C PHE A 75 -5.225 -2.823 -10.524 1.00 0.00 C ATOM 1219 O PHE A 75 -5.657 -2.254 -11.522 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.262 -1.827 -8.211 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.055 -0.424 -8.714 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.133 0.427 -8.899 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.781 0.045 -8.992 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.945 1.717 -9.355 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.587 1.334 -9.449 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.670 2.170 -9.630 1.00 0.00 C ATOM 0 H PHE A 75 -5.651 -4.199 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.973 -2.349 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.837 -1.788 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.292 -2.259 -7.965 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.132 0.077 -8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.930 -0.605 -8.850 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.793 2.370 -9.496 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.589 1.687 -9.664 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.520 3.178 -9.987 1.00 0.00 H new ATOM 1236 N ARG A 76 -4.113 -3.554 -10.533 1.00 0.00 N ATOM 1237 CA ARG A 76 -3.305 -3.695 -11.743 1.00 0.00 C ATOM 1238 C ARG A 76 -4.090 -4.450 -12.814 1.00 0.00 C ATOM 1239 O ARG A 76 -4.070 -4.082 -13.993 1.00 0.00 O ATOM 1240 CB ARG A 76 -1.986 -4.414 -11.434 1.00 0.00 C ATOM 1241 CG ARG A 76 -0.956 -4.325 -12.556 1.00 0.00 C ATOM 1242 CD ARG A 76 0.372 -4.942 -12.140 1.00 0.00 C ATOM 1243 NE ARG A 76 1.458 -4.605 -13.070 1.00 0.00 N ATOM 1244 CZ ARG A 76 2.761 -4.692 -12.768 1.00 0.00 C ATOM 1245 NH1 ARG A 76 3.138 -5.138 -11.580 1.00 0.00 N ATOM 1246 NH2 ARG A 76 3.679 -4.337 -13.654 1.00 0.00 N ATOM 0 H ARG A 76 -3.752 -4.055 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.068 -2.700 -12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.557 -3.991 -10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.195 -5.464 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.335 -4.836 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.804 -3.281 -12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.633 -4.597 -11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.266 -6.025 -12.086 1.00 0.00 H new ATOM 0 HE ARG A 76 1.205 -4.285 -14.005 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.437 -5.416 -10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.130 -5.204 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.396 -3.995 -14.572 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.669 -4.406 -13.418 1.00 0.00 H new ATOM 1260 N GLU A 77 -4.800 -5.495 -12.388 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.635 -6.282 -13.288 1.00 0.00 C ATOM 1262 C GLU A 77 -6.718 -5.406 -13.909 1.00 0.00 C ATOM 1263 O GLU A 77 -6.985 -5.488 -15.104 1.00 0.00 O ATOM 1264 CB GLU A 77 -6.288 -7.446 -12.534 1.00 0.00 C ATOM 1265 CG GLU A 77 -5.312 -8.484 -12.008 1.00 0.00 C ATOM 1266 CD GLU A 77 -4.666 -9.293 -13.108 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -5.166 -10.404 -13.410 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -3.660 -8.837 -13.674 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.811 -5.815 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.000 -6.682 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.858 -7.045 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.999 -7.938 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.536 -7.985 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.836 -9.157 -11.329 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.329 -4.557 -13.087 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.394 -3.674 -13.544 1.00 0.00 C ATOM 1277 C ALA A 78 -7.875 -2.665 -14.558 1.00 0.00 C ATOM 1278 O ALA A 78 -8.575 -2.319 -15.513 1.00 0.00 O ATOM 1279 CB ALA A 78 -9.048 -2.970 -12.365 1.00 0.00 C ATOM 0 H ALA A 78 -7.102 -4.463 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.148 -4.285 -14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.841 -2.315 -12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.471 -3.712 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.302 -2.378 -11.835 1.00 0.00 H new ATOM 1285 N ILE A 79 -6.642 -2.201 -14.354 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.016 -1.266 -15.285 1.00 0.00 C ATOM 1287 C ILE A 79 -5.826 -1.934 -16.637 1.00 0.00 C ATOM 1288 O ILE A 79 -6.088 -1.336 -17.678 1.00 0.00 O ATOM 1289 CB ILE A 79 -4.641 -0.762 -14.773 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -4.799 -0.037 -13.436 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -3.992 0.161 -15.803 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.492 0.406 -12.824 1.00 0.00 C ATOM 0 H ILE A 79 -6.060 -2.457 -13.556 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.680 -0.406 -15.374 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.993 -1.626 -14.624 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.436 0.836 -13.580 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.313 -0.695 -12.735 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.028 0.505 -15.427 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.844 -0.382 -16.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.639 1.020 -15.981 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.686 0.912 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.860 -0.464 -12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.985 1.090 -13.504 1.00 0.00 H new ATOM 1304 N ASP A 80 -5.395 -3.189 -16.608 1.00 0.00 N ATOM 1305 CA ASP A 80 -5.175 -3.951 -17.831 1.00 0.00 C ATOM 1306 C ASP A 80 -6.484 -4.160 -18.586 1.00 0.00 C ATOM 1307 O ASP A 80 -6.501 -4.209 -19.815 1.00 0.00 O ATOM 1308 CB ASP A 80 -4.529 -5.303 -17.521 1.00 0.00 C ATOM 1309 CG ASP A 80 -4.219 -6.093 -18.776 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -3.170 -5.830 -19.403 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.017 -6.975 -19.146 1.00 0.00 O1- ATOM 0 H ASP A 80 -5.191 -3.701 -15.750 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.497 -3.376 -18.462 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.609 -5.143 -16.958 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.196 -5.884 -16.884 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.577 -4.272 -17.844 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.898 -4.457 -18.440 1.00 0.00 C ATOM 1318 C LYS A 81 -9.454 -3.123 -18.929 1.00 0.00 C ATOM 1319 O LYS A 81 -10.429 -3.084 -19.675 1.00 0.00 O ATOM 1320 CB LYS A 81 -9.867 -5.055 -17.417 1.00 0.00 C ATOM 1321 CG LYS A 81 -9.382 -6.336 -16.770 1.00 0.00 C ATOM 1322 CD LYS A 81 -10.313 -6.763 -15.651 1.00 0.00 C ATOM 1323 CE LYS A 81 -9.706 -7.873 -14.814 1.00 0.00 C ATOM 1324 NZ LYS A 81 -10.600 -8.281 -13.698 1.00 0.00 N ATOM 0 H LYS A 81 -7.577 -4.238 -16.825 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.794 -5.139 -19.284 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.054 -4.317 -16.637 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.821 -5.249 -17.908 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.321 -7.126 -17.519 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.376 -6.191 -16.376 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.535 -5.906 -15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.260 -7.101 -16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.502 -8.735 -15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.750 -7.541 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.148 -9.041 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.775 -7.465 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.503 -8.622 -14.084 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.826 -2.036 -18.501 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.285 -0.719 -18.876 1.00 0.00 C ATOM 1340 C GLY A 82 -10.553 -0.331 -18.143 1.00 0.00 C ATOM 1341 O GLY A 82 -11.341 0.479 -18.632 1.00 0.00 O ATOM 0 H GLY A 82 -8.003 -2.046 -17.898 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.505 0.012 -18.663 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.464 -0.690 -19.951 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.753 -0.913 -16.968 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.943 -0.637 -16.174 1.00 0.00 C ATOM 1347 C ASP A 83 -11.700 0.574 -15.294 1.00 0.00 C ATOM 1348 O ASP A 83 -11.209 0.456 -14.175 1.00 0.00 O ATOM 1349 CB ASP A 83 -12.312 -1.844 -15.322 1.00 0.00 C ATOM 1350 CG ASP A 83 -13.719 -1.758 -14.789 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -13.991 -0.897 -13.941 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -14.567 -2.575 -15.216 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.107 -1.579 -16.544 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.775 -0.429 -16.847 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.206 -2.752 -15.916 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.614 -1.925 -14.489 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.047 1.730 -15.811 1.00 0.00 N ATOM 1358 CA LYS A 84 -11.758 2.998 -15.153 1.00 0.00 C ATOM 1359 C LYS A 84 -12.607 3.224 -13.901 1.00 0.00 C ATOM 1360 O LYS A 84 -12.121 3.784 -12.913 1.00 0.00 O ATOM 1361 CB LYS A 84 -11.960 4.151 -16.134 1.00 0.00 C ATOM 1362 CG LYS A 84 -11.334 3.908 -17.497 1.00 0.00 C ATOM 1363 CD LYS A 84 -11.592 5.067 -18.443 1.00 0.00 C ATOM 1364 CE LYS A 84 -11.288 4.684 -19.884 1.00 0.00 C ATOM 1365 NZ LYS A 84 -12.140 3.558 -20.352 1.00 0.00 N ATOM 0 H LYS A 84 -12.538 1.825 -16.700 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.718 2.960 -14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.028 4.326 -16.260 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.536 5.059 -15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.260 3.761 -17.384 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.738 2.991 -17.925 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.632 5.382 -18.360 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.977 5.919 -18.154 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.443 5.549 -20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.238 4.405 -19.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.213 3.586 -21.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.714 2.655 -20.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.089 3.644 -19.936 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.867 2.787 -13.930 1.00 0.00 N ATOM 1380 CA ASP A 85 -14.767 3.022 -12.793 1.00 0.00 C ATOM 1381 C ASP A 85 -14.300 2.283 -11.546 1.00 0.00 C ATOM 1382 O ASP A 85 -14.424 2.796 -10.430 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.239 2.690 -13.125 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.507 1.220 -13.375 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -16.516 0.809 -14.553 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -16.753 0.476 -12.400 1.00 0.00 O1- ATOM 0 H ASP A 85 -14.284 2.278 -14.710 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.726 4.091 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.869 3.027 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.537 3.256 -14.007 1.00 0.00 H new ATOM 1391 N SER A 86 -13.752 1.091 -11.724 1.00 0.00 N ATOM 1392 CA SER A 86 -13.223 0.348 -10.598 1.00 0.00 C ATOM 1393 C SER A 86 -11.950 1.019 -10.087 1.00 0.00 C ATOM 1394 O SER A 86 -11.732 1.118 -8.883 1.00 0.00 O ATOM 1395 CB SER A 86 -12.940 -1.104 -10.990 1.00 0.00 C ATOM 1396 OG SER A 86 -14.101 -1.717 -11.528 1.00 0.00 O ATOM 0 H SER A 86 -13.664 0.624 -12.627 1.00 0.00 H new ATOM 0 HA SER A 86 -13.968 0.344 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.134 -1.137 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.601 -1.661 -10.117 1.00 0.00 H new ATOM 0 HG SER A 86 -14.249 -1.392 -12.441 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.134 1.513 -11.019 1.00 0.00 N ATOM 1403 CA LEU A 87 -9.867 2.166 -10.687 1.00 0.00 C ATOM 1404 C LEU A 87 -10.083 3.385 -9.804 1.00 0.00 C ATOM 1405 O LEU A 87 -9.412 3.548 -8.788 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.126 2.578 -11.962 1.00 0.00 C ATOM 1407 CG LEU A 87 -8.807 1.444 -12.929 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -8.083 1.964 -14.156 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -7.992 0.376 -12.241 1.00 0.00 C ATOM 0 H LEU A 87 -11.331 1.472 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.263 1.446 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.726 3.322 -12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.193 3.064 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.748 1.002 -13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.867 1.135 -14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.711 2.693 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.149 2.438 -13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.773 -0.426 -12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.058 0.807 -11.881 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.555 -0.025 -11.399 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.030 4.228 -10.191 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.341 5.442 -9.443 1.00 0.00 C ATOM 1423 C GLU A 88 -11.729 5.113 -7.999 1.00 0.00 C ATOM 1424 O GLU A 88 -11.248 5.748 -7.057 1.00 0.00 O ATOM 1425 CB GLU A 88 -12.470 6.209 -10.138 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.889 7.493 -9.434 1.00 0.00 C ATOM 1427 CD GLU A 88 -11.769 8.507 -9.330 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -11.133 8.809 -10.367 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -11.542 9.033 -8.227 1.00 0.00 O1- ATOM 0 H GLU A 88 -11.601 4.093 -11.025 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.449 6.068 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.156 6.452 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.338 5.555 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.726 7.939 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.246 7.251 -8.433 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.580 4.111 -7.830 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.012 3.710 -6.507 1.00 0.00 C ATOM 1438 C GLN A 89 -11.854 3.100 -5.720 1.00 0.00 C ATOM 1439 O GLN A 89 -11.667 3.402 -4.536 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.170 2.720 -6.595 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.679 2.273 -5.238 1.00 0.00 C ATOM 1442 CD GLN A 89 -15.873 1.345 -5.321 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -15.951 0.563 -6.380 1.00 0.00 O flip ATOM 1444 NE2 GLN A 89 -16.717 1.326 -4.427 1.00 0.00 N flip ATOM 0 H GLN A 89 -12.982 3.565 -8.592 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.356 4.601 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.989 3.177 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.850 1.846 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.873 1.770 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.950 3.151 -4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -16.622 1.946 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.512 0.690 -4.490 1.00 0.00 H new ATOM 1453 N LEU A 90 -11.070 2.256 -6.386 1.00 0.00 N ATOM 1454 CA LEU A 90 -9.933 1.596 -5.753 1.00 0.00 C ATOM 1455 C LEU A 90 -8.907 2.607 -5.263 1.00 0.00 C ATOM 1456 O LEU A 90 -8.306 2.416 -4.216 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.277 0.587 -6.703 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.125 -0.639 -7.070 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.384 -1.528 -8.055 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.503 -1.427 -5.822 1.00 0.00 C ATOM 0 H LEU A 90 -11.203 2.013 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.315 1.054 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.007 1.106 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.349 0.240 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.041 -0.288 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.002 -2.391 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.168 -0.964 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.450 -1.867 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.104 -2.291 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.598 -1.764 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.078 -0.790 -5.150 1.00 0.00 H new ATOM 1472 N LEU A 91 -8.721 3.687 -6.020 1.00 0.00 N ATOM 1473 CA LEU A 91 -7.768 4.730 -5.639 1.00 0.00 C ATOM 1474 C LEU A 91 -8.132 5.331 -4.288 1.00 0.00 C ATOM 1475 O LEU A 91 -7.281 5.468 -3.411 1.00 0.00 O ATOM 1476 CB LEU A 91 -7.734 5.837 -6.699 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.122 5.461 -8.048 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -7.358 6.566 -9.064 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -5.632 5.188 -7.899 1.00 0.00 C ATOM 0 H LEU A 91 -9.214 3.863 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.782 4.271 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.755 6.180 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.177 6.682 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.606 4.552 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.916 6.283 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.429 6.720 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.898 7.489 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.212 4.922 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.134 6.081 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.481 4.365 -7.200 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.407 5.647 -4.108 1.00 0.00 N ATOM 1492 CA GLU A 92 -9.871 6.235 -2.859 1.00 0.00 C ATOM 1493 C GLU A 92 -9.805 5.219 -1.728 1.00 0.00 C ATOM 1494 O GLU A 92 -9.350 5.529 -0.626 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.293 6.769 -3.009 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.439 7.836 -4.077 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.808 8.472 -4.071 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -12.930 9.629 -3.612 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.771 7.821 -4.515 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.136 5.507 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.213 7.068 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.959 5.939 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.620 7.178 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.683 8.606 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.250 7.395 -5.056 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.247 4.002 -2.013 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.237 2.927 -1.028 1.00 0.00 C ATOM 1508 C GLU A 93 -8.824 2.632 -0.556 1.00 0.00 C ATOM 1509 O GLU A 93 -8.586 2.406 0.636 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.866 1.663 -1.613 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.360 1.774 -1.828 1.00 0.00 C ATOM 1512 CD GLU A 93 -13.097 2.018 -0.537 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -13.317 3.193 -0.186 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.443 1.036 0.144 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.619 3.733 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.825 3.253 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.386 1.435 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.665 0.825 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.567 2.587 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.729 0.858 -2.289 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.894 2.651 -1.491 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.507 2.374 -1.200 1.00 0.00 C ATOM 1523 C LEU A 94 -5.914 3.460 -0.306 1.00 0.00 C ATOM 1524 O LEU A 94 -5.278 3.159 0.693 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.722 2.264 -2.509 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.264 1.824 -2.400 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.163 0.451 -1.750 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.625 1.807 -3.777 1.00 0.00 C ATOM 0 H LEU A 94 -8.082 2.859 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.440 1.428 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.242 1.560 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.748 3.235 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.731 2.537 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.116 0.157 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.595 0.489 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.706 -0.277 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.585 1.492 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.163 1.110 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.667 2.806 -4.210 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.167 4.720 -0.648 1.00 0.00 N ATOM 1541 CA GLU A 95 -5.648 5.847 0.133 1.00 0.00 C ATOM 1542 C GLU A 95 -6.166 5.811 1.567 1.00 0.00 C ATOM 1543 O GLU A 95 -5.411 6.031 2.519 1.00 0.00 O ATOM 1544 CB GLU A 95 -6.022 7.171 -0.523 1.00 0.00 C ATOM 1545 CG GLU A 95 -5.325 7.418 -1.847 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.774 8.704 -2.493 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -5.553 9.780 -1.902 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -6.357 8.649 -3.589 1.00 0.00 O1- ATOM 0 H GLU A 95 -6.726 4.990 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.562 5.759 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.100 7.195 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.781 7.985 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.247 7.450 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.524 6.585 -2.522 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.446 5.519 1.715 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.068 5.429 3.027 1.00 0.00 C ATOM 1557 C GLN A 96 -7.445 4.305 3.854 1.00 0.00 C ATOM 1558 O GLN A 96 -7.311 4.421 5.076 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.578 5.246 2.897 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.274 6.454 2.287 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.766 6.261 2.131 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.398 5.537 2.903 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.339 6.908 1.137 1.00 0.00 N ATOM 0 H GLN A 96 -8.080 5.339 0.937 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.886 6.366 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.780 4.369 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.001 5.050 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.090 7.327 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.836 6.664 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.778 7.497 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.343 6.820 0.983 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.069 3.219 3.187 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.425 2.094 3.853 1.00 0.00 C ATOM 1574 C ALA A 97 -5.082 2.515 4.459 1.00 0.00 C ATOM 1575 O ALA A 97 -4.721 2.078 5.555 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.239 0.935 2.885 1.00 0.00 C ATOM 0 H ALA A 97 -7.200 3.095 2.183 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.073 1.763 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.757 0.104 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.211 0.614 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.616 1.255 2.050 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.351 3.378 3.743 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.070 3.904 4.236 1.00 0.00 C ATOM 1584 C LEU A 98 -3.260 4.725 5.497 1.00 0.00 C ATOM 1585 O LEU A 98 -2.411 4.708 6.395 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.352 4.754 3.173 1.00 0.00 C ATOM 1587 CG LEU A 98 -1.560 4.006 2.086 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -0.346 3.320 2.686 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -2.423 3.000 1.358 1.00 0.00 C ATOM 0 H LEU A 98 -4.622 3.726 2.824 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.447 3.039 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.098 5.376 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.666 5.427 3.687 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.225 4.746 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.201 2.797 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.303 4.065 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.669 2.605 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.828 2.492 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.806 2.267 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.258 3.514 0.881 1.00 0.00 H new ATOM 1601 N GLN A 99 -4.373 5.438 5.569 1.00 0.00 N ATOM 1602 CA GLN A 99 -4.679 6.242 6.738 1.00 0.00 C ATOM 1603 C GLN A 99 -4.832 5.354 7.959 1.00 0.00 C ATOM 1604 O GLN A 99 -4.391 5.705 9.052 1.00 0.00 O ATOM 1605 CB GLN A 99 -5.944 7.066 6.517 1.00 0.00 C ATOM 1606 CG GLN A 99 -5.798 8.143 5.458 1.00 0.00 C ATOM 1607 CD GLN A 99 -4.698 9.129 5.791 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -3.548 8.955 5.393 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -5.036 10.164 6.531 1.00 0.00 N ATOM 0 H GLN A 99 -5.077 5.475 4.832 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.852 6.931 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.756 6.397 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.231 7.533 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.587 7.677 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.742 8.677 5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.001 10.275 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.333 10.855 6.793 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.436 4.189 7.760 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.603 3.226 8.833 1.00 0.00 C ATOM 1620 C LYS A 100 -4.267 2.658 9.261 1.00 0.00 C ATOM 1621 O LYS A 100 -4.049 2.416 10.432 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.559 2.106 8.423 1.00 0.00 C ATOM 1623 CG LYS A 100 -8.019 2.509 8.488 1.00 0.00 C ATOM 1624 CD LYS A 100 -8.489 2.652 9.929 1.00 0.00 C ATOM 1625 CE LYS A 100 -9.832 3.357 10.012 1.00 0.00 C ATOM 1626 NZ LYS A 100 -9.735 4.772 9.578 1.00 0.00 N ATOM 0 H LYS A 100 -5.818 3.891 6.862 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.040 3.748 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.322 1.789 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.398 1.245 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.162 3.452 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.628 1.763 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.566 1.666 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.748 3.211 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.557 2.834 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.203 3.315 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.454 5.337 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.789 5.140 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.894 4.832 8.552 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.367 2.460 8.305 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.033 1.956 8.613 1.00 0.00 C ATOM 1642 C ILE A 101 -1.297 2.941 9.526 1.00 0.00 C ATOM 1643 O ILE A 101 -0.619 2.540 10.475 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.209 1.695 7.325 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.879 0.595 6.490 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.227 1.308 7.671 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.156 0.268 5.200 1.00 0.00 C ATOM 0 H ILE A 101 -3.535 2.639 7.315 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.146 1.003 9.130 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.178 2.613 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.951 -0.310 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.898 0.903 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.787 1.129 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.697 2.116 8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.224 0.401 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.694 -0.518 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.107 1.159 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.146 -0.073 5.426 1.00 0.00 H new ATOM 1659 N ARG A 102 -1.463 4.233 9.246 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.878 5.283 10.077 1.00 0.00 C ATOM 1661 C ARG A 102 -1.434 5.206 11.505 1.00 0.00 C ATOM 1662 O ARG A 102 -0.711 5.425 12.480 1.00 0.00 O ATOM 1663 CB ARG A 102 -1.158 6.670 9.476 1.00 0.00 C ATOM 1664 CG ARG A 102 -0.251 7.056 8.311 1.00 0.00 C ATOM 1665 CD ARG A 102 -0.665 8.400 7.710 1.00 0.00 C ATOM 1666 NE ARG A 102 0.388 8.989 6.861 1.00 0.00 N ATOM 1667 CZ ARG A 102 0.160 9.851 5.853 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -1.080 10.163 5.501 1.00 0.00 N ATOM 1669 NH2 ARG A 102 1.176 10.397 5.198 1.00 0.00 N ATOM 0 H ARG A 102 -1.998 4.577 8.449 1.00 0.00 H new ATOM 0 HA ARG A 102 0.201 5.131 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.194 6.702 9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.056 7.419 10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.782 7.111 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.292 6.283 7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.571 8.266 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.909 9.094 8.514 1.00 0.00 H new ATOM 0 HE ARG A 102 1.355 8.725 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.870 9.749 5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.244 10.817 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.134 10.164 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.999 11.050 4.435 1.00 0.00 H new ATOM 1683 N GLU A 103 -2.721 4.895 11.609 1.00 0.00 N ATOM 1684 CA GLU A 103 -3.387 4.760 12.902 1.00 0.00 C ATOM 1685 C GLU A 103 -2.952 3.467 13.606 1.00 0.00 C ATOM 1686 O GLU A 103 -2.628 3.467 14.797 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.909 4.761 12.712 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.442 5.995 11.996 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.943 5.954 11.789 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.687 6.152 12.773 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -7.393 5.741 10.645 1.00 0.00 O1- ATOM 0 H GLU A 103 -3.329 4.730 10.807 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.101 5.608 13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.195 3.874 12.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.387 4.685 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.184 6.883 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.949 6.089 11.028 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.921 2.380 12.841 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.570 1.055 13.352 1.00 0.00 C ATOM 1700 C LEU A 104 -1.157 1.006 13.909 1.00 0.00 C ATOM 1701 O LEU A 104 -0.872 0.217 14.802 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.743 -0.015 12.267 1.00 0.00 C ATOM 1703 CG LEU A 104 -4.179 -0.264 11.792 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -4.203 -1.305 10.685 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -5.066 -0.698 12.954 1.00 0.00 C ATOM 0 H LEU A 104 -3.139 2.391 11.845 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.256 0.846 14.173 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.140 0.270 11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.338 -0.954 12.643 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.572 0.671 11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.231 -1.468 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.608 -0.953 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.787 -2.241 11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.080 -0.869 12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.675 -1.619 13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.078 0.083 13.714 1.00 0.00 H new ATOM 1717 N ALA A 105 -0.275 1.846 13.388 1.00 0.00 N ATOM 1718 CA ALA A 105 1.107 1.865 13.849 1.00 0.00 C ATOM 1719 C ALA A 105 1.189 2.255 15.326 1.00 0.00 C ATOM 1720 O ALA A 105 2.100 1.834 16.038 1.00 0.00 O ATOM 1721 CB ALA A 105 1.932 2.822 12.999 1.00 0.00 C ATOM 0 H ALA A 105 -0.488 2.519 12.652 1.00 0.00 H new ATOM 0 HA ALA A 105 1.515 0.860 13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.963 2.827 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.908 2.498 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.517 3.827 13.076 1.00 0.00 H new ATOM 1727 N GLU A 106 0.236 3.054 15.785 1.00 0.00 N ATOM 1728 CA GLU A 106 0.182 3.444 17.188 1.00 0.00 C ATOM 1729 C GLU A 106 -0.752 2.518 17.967 1.00 0.00 C ATOM 1730 O GLU A 106 -0.638 2.372 19.185 1.00 0.00 O ATOM 1731 CB GLU A 106 -0.294 4.892 17.325 1.00 0.00 C ATOM 1732 CG GLU A 106 -0.166 5.446 18.734 1.00 0.00 C ATOM 1733 CD GLU A 106 -0.763 6.821 18.878 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -0.096 7.807 18.520 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -1.905 6.929 19.363 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.509 3.444 15.208 1.00 0.00 H new ATOM 0 HA GLU A 106 1.187 3.361 17.601 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.280 5.520 16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.337 4.954 17.013 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.656 4.767 19.432 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.888 5.482 19.011 1.00 0.00 H new ATOM 1742 N LYS A 107 -1.658 1.883 17.251 1.00 0.00 N ATOM 1743 CA LYS A 107 -2.687 1.051 17.859 1.00 0.00 C ATOM 1744 C LYS A 107 -2.336 -0.431 17.847 1.00 0.00 C ATOM 1745 O LYS A 107 -3.172 -1.271 18.190 1.00 0.00 O ATOM 1746 CB LYS A 107 -4.014 1.272 17.145 1.00 0.00 C ATOM 1747 CG LYS A 107 -4.633 2.635 17.401 1.00 0.00 C ATOM 1748 CD LYS A 107 -5.873 2.852 16.549 1.00 0.00 C ATOM 1749 CE LYS A 107 -6.901 1.745 16.749 1.00 0.00 C ATOM 1750 NZ LYS A 107 -7.345 1.633 18.164 1.00 0.00 N ATOM 0 H LYS A 107 -1.705 1.926 16.233 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.764 1.351 18.904 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.863 1.148 16.073 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.717 0.500 17.459 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.894 2.725 18.455 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.902 3.414 17.186 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.322 3.813 16.799 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.588 2.897 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.766 1.937 16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.475 0.794 16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.092 0.913 18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.539 1.357 18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.715 2.550 18.485 1.00 0.00 H new