USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -15:sc= -1.22 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -4.56! C(o=-4.6!,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.047) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= -0.0342 (180deg=-0.0444) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.55! C(o=-2.6!,f=-7.7!) USER MOD Single : A 62 SER OG : rot 82:sc= -0.369! USER MOD Single : A 67 GLN : amide:sc= 0.532 K(o=0.53,f=-2.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 67:sc= 1.07 USER MOD Single : A 75 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 -0.964 -0.551 -8.396 1.00 0.00 N ATOM 49 CA GLU A 4 -0.466 -1.116 -9.638 1.00 0.00 C ATOM 50 C GLU A 4 0.426 -2.326 -9.351 1.00 0.00 C ATOM 51 O GLU A 4 0.434 -3.291 -10.113 1.00 0.00 O ATOM 52 CB GLU A 4 0.284 -0.064 -10.457 1.00 0.00 C ATOM 53 CG GLU A 4 -0.212 -0.040 -11.904 1.00 0.00 C ATOM 54 CD GLU A 4 0.661 -0.924 -12.798 1.00 0.00 C ATOM 55 OE1 GLU A 4 1.893 -0.715 -12.773 1.00 0.00 O ATOM 56 OE2 GLU A 4 0.076 -1.788 -13.486 1.00 0.00 O ATOM 0 HA GLU A 4 -1.318 -1.450 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.147 0.919 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.353 -0.278 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.245 -0.385 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.203 0.984 -12.278 1.00 0.00 H new ATOM 63 N GLU A 5 1.156 -2.234 -8.249 1.00 0.00 N ATOM 64 CA GLU A 5 2.050 -3.309 -7.851 1.00 0.00 C ATOM 65 C GLU A 5 1.246 -4.556 -7.477 1.00 0.00 C ATOM 66 O GLU A 5 1.693 -5.679 -7.706 1.00 0.00 O ATOM 67 CB GLU A 5 2.954 -2.872 -6.697 1.00 0.00 C ATOM 68 CG GLU A 5 4.359 -2.533 -7.199 1.00 0.00 C ATOM 69 CD GLU A 5 5.427 -3.200 -6.331 1.00 0.00 C ATOM 70 OE1 GLU A 5 5.833 -2.558 -5.338 1.00 0.00 O ATOM 71 OE2 GLU A 5 5.814 -4.336 -6.679 1.00 0.00 O ATOM 0 H GLU A 5 1.147 -1.432 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 5 2.691 -3.554 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.522 -2.003 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.012 -3.668 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.469 -2.861 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.501 -1.452 -7.191 1.00 0.00 H new ATOM 78 N LEU A 6 0.074 -4.316 -6.907 1.00 0.00 N ATOM 79 CA LEU A 6 -0.796 -5.406 -6.498 1.00 0.00 C ATOM 80 C LEU A 6 -1.186 -6.230 -7.727 1.00 0.00 C ATOM 81 O LEU A 6 -1.270 -7.455 -7.656 1.00 0.00 O ATOM 82 CB LEU A 6 -1.994 -4.869 -5.712 1.00 0.00 C ATOM 83 CG LEU A 6 -1.833 -4.826 -4.191 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.872 -3.901 -3.555 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.879 -6.235 -3.595 1.00 0.00 C ATOM 0 H LEU A 6 -0.293 -3.383 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.272 -6.077 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.211 -3.860 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.863 -5.483 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.851 -4.411 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.735 -3.889 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.749 -2.892 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.873 -4.262 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.762 -6.176 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.836 -6.699 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.071 -6.834 -4.015 1.00 0.00 H new ATOM 97 N LYS A 7 -1.415 -5.524 -8.825 1.00 0.00 N ATOM 98 CA LYS A 7 -1.794 -6.174 -10.067 1.00 0.00 C ATOM 99 C LYS A 7 -0.613 -6.995 -10.590 1.00 0.00 C ATOM 100 O LYS A 7 -0.755 -8.184 -10.872 1.00 0.00 O ATOM 101 CB LYS A 7 -2.321 -5.147 -11.071 1.00 0.00 C ATOM 102 CG LYS A 7 -3.538 -5.689 -11.824 1.00 0.00 C ATOM 103 CD LYS A 7 -3.132 -6.803 -12.791 1.00 0.00 C ATOM 104 CE LYS A 7 -3.684 -6.539 -14.193 1.00 0.00 C ATOM 105 NZ LYS A 7 -2.708 -5.773 -14.999 1.00 0.00 N ATOM 0 H LYS A 7 -1.345 -4.508 -8.880 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.616 -6.870 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.591 -4.229 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.535 -4.891 -11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.271 -6.069 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.019 -4.881 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.045 -6.876 -12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.502 -7.761 -12.425 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.909 -7.485 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.621 -5.986 -14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.099 -5.603 -15.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.514 -4.862 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.824 -6.315 -15.081 1.00 0.00 H new ATOM 119 N GLY A 8 0.526 -6.328 -10.702 1.00 0.00 N ATOM 120 CA GLY A 8 1.731 -6.981 -11.186 1.00 0.00 C ATOM 121 C GLY A 8 2.090 -8.185 -10.313 1.00 0.00 C ATOM 122 O GLY A 8 2.228 -9.300 -10.814 1.00 0.00 O ATOM 0 H GLY A 8 0.640 -5.342 -10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.585 -7.305 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.558 -6.270 -11.190 1.00 0.00 H new ATOM 126 N ILE A 9 2.231 -7.919 -9.023 1.00 0.00 N ATOM 127 CA ILE A 9 2.571 -8.967 -8.076 1.00 0.00 C ATOM 128 C ILE A 9 1.565 -10.112 -8.206 1.00 0.00 C ATOM 129 O ILE A 9 1.953 -11.277 -8.292 1.00 0.00 O ATOM 130 CB ILE A 9 2.673 -8.397 -6.659 1.00 0.00 C ATOM 131 CG1 ILE A 9 4.053 -7.782 -6.414 1.00 0.00 C ATOM 132 CG2 ILE A 9 2.325 -9.458 -5.614 1.00 0.00 C ATOM 133 CD1 ILE A 9 4.180 -7.276 -4.976 1.00 0.00 C ATOM 0 H ILE A 9 2.116 -6.993 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 9 3.555 -9.379 -8.301 1.00 0.00 H new ATOM 0 HB ILE A 9 1.941 -7.596 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.826 -8.524 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.217 -6.958 -7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.406 -9.026 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.306 -9.808 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.015 -10.297 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.170 -6.844 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.421 -6.516 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.040 -8.107 -4.284 1.00 0.00 H new ATOM 145 N PHE A 10 0.293 -9.742 -8.217 1.00 0.00 N ATOM 146 CA PHE A 10 -0.771 -10.725 -8.335 1.00 0.00 C ATOM 147 C PHE A 10 -0.524 -11.661 -9.520 1.00 0.00 C ATOM 148 O PHE A 10 -0.502 -12.880 -9.358 1.00 0.00 O ATOM 149 CB PHE A 10 -2.069 -9.951 -8.574 1.00 0.00 C ATOM 150 CG PHE A 10 -3.170 -10.775 -9.246 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.216 -10.871 -10.601 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.102 -11.411 -8.486 1.00 0.00 C ATOM 153 CE1 PHE A 10 -4.238 -11.636 -11.224 1.00 0.00 C ATOM 154 CE2 PHE A 10 -5.124 -12.175 -9.110 1.00 0.00 C ATOM 155 CZ PHE A 10 -5.170 -12.272 -10.465 1.00 0.00 C ATOM 0 H PHE A 10 -0.025 -8.775 -8.146 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.819 -11.332 -7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.439 -9.579 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.852 -9.080 -9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.476 -10.366 -11.204 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.065 -11.335 -7.409 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.275 -11.713 -12.301 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.865 -12.679 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.947 -12.854 -10.939 1.00 0.00 H new ATOM 165 N GLU A 11 -0.344 -11.055 -10.684 1.00 0.00 N ATOM 166 CA GLU A 11 -0.099 -11.819 -11.895 1.00 0.00 C ATOM 167 C GLU A 11 1.194 -12.626 -11.762 1.00 0.00 C ATOM 168 O GLU A 11 1.285 -13.748 -12.258 1.00 0.00 O ATOM 169 CB GLU A 11 -0.051 -10.904 -13.121 1.00 0.00 C ATOM 170 CG GLU A 11 -1.290 -11.096 -13.997 1.00 0.00 C ATOM 171 CD GLU A 11 -0.896 -11.461 -15.430 1.00 0.00 C ATOM 172 OE1 GLU A 11 0.094 -12.211 -15.573 1.00 0.00 O ATOM 173 OE2 GLU A 11 -1.594 -10.982 -16.350 1.00 0.00 O ATOM 0 H GLU A 11 -0.363 -10.044 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.926 -12.515 -12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.015 -9.864 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.846 -11.116 -13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.918 -11.881 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.883 -10.181 -14.001 1.00 0.00 H new ATOM 180 N LYS A 12 2.163 -12.023 -11.089 1.00 0.00 N ATOM 181 CA LYS A 12 3.447 -12.671 -10.883 1.00 0.00 C ATOM 182 C LYS A 12 3.235 -13.989 -10.136 1.00 0.00 C ATOM 183 O LYS A 12 4.012 -14.929 -10.294 1.00 0.00 O ATOM 184 CB LYS A 12 4.422 -11.719 -10.187 1.00 0.00 C ATOM 185 CG LYS A 12 5.871 -12.072 -10.530 1.00 0.00 C ATOM 186 CD LYS A 12 6.844 -11.082 -9.885 1.00 0.00 C ATOM 187 CE LYS A 12 8.241 -11.211 -10.494 1.00 0.00 C ATOM 188 NZ LYS A 12 9.229 -10.459 -9.688 1.00 0.00 N ATOM 0 H LYS A 12 2.085 -11.092 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 12 3.907 -12.918 -11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.212 -10.693 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.277 -11.769 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.094 -13.082 -10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.004 -12.066 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.477 -10.065 -10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.893 -11.262 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.527 -12.262 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.235 -10.834 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.172 -10.557 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.963 -9.454 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.247 -10.837 -8.719 1.00 0.00 H new ATOM 202 N TYR A 13 2.178 -14.016 -9.337 1.00 0.00 N ATOM 203 CA TYR A 13 1.854 -15.203 -8.565 1.00 0.00 C ATOM 204 C TYR A 13 0.825 -16.068 -9.296 1.00 0.00 C ATOM 205 O TYR A 13 0.909 -17.295 -9.268 1.00 0.00 O ATOM 206 CB TYR A 13 1.241 -14.700 -7.256 1.00 0.00 C ATOM 207 CG TYR A 13 2.255 -14.515 -6.125 1.00 0.00 C ATOM 208 CD1 TYR A 13 3.027 -13.372 -6.071 1.00 0.00 C ATOM 209 CD2 TYR A 13 2.399 -15.491 -5.160 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.981 -13.198 -5.007 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.353 -15.317 -4.096 1.00 0.00 C ATOM 212 CZ TYR A 13 4.097 -14.179 -4.072 1.00 0.00 C ATOM 213 OH TYR A 13 4.999 -14.014 -3.067 1.00 0.00 O ATOM 0 H TYR A 13 1.535 -13.235 -9.208 1.00 0.00 H new ATOM 0 HA TYR A 13 2.744 -15.811 -8.404 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.742 -13.749 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.475 -15.404 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.915 -12.609 -6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.796 -16.386 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.591 -12.308 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.475 -16.073 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 13 5.619 -13.291 -3.299 1.00 0.00 H new ATOM 223 N ALA A 14 -0.122 -15.395 -9.933 1.00 0.00 N ATOM 224 CA ALA A 14 -1.165 -16.087 -10.670 1.00 0.00 C ATOM 225 C ALA A 14 -0.545 -16.806 -11.870 1.00 0.00 C ATOM 226 O ALA A 14 -1.069 -17.819 -12.330 1.00 0.00 O ATOM 227 CB ALA A 14 -2.247 -15.088 -11.085 1.00 0.00 C ATOM 0 H ALA A 14 -0.189 -14.377 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.641 -16.841 -10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.029 -15.608 -11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.677 -14.627 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.807 -14.317 -11.717 1.00 0.00 H new ATOM 233 N ALA A 15 0.563 -16.254 -12.342 1.00 0.00 N ATOM 234 CA ALA A 15 1.260 -16.830 -13.479 1.00 0.00 C ATOM 235 C ALA A 15 2.139 -17.987 -13.001 1.00 0.00 C ATOM 236 O ALA A 15 2.531 -18.843 -13.793 1.00 0.00 O ATOM 237 CB ALA A 15 2.066 -15.741 -14.189 1.00 0.00 C ATOM 0 H ALA A 15 0.995 -15.414 -11.958 1.00 0.00 H new ATOM 0 HA ALA A 15 0.549 -17.233 -14.200 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.589 -16.173 -15.042 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.392 -14.957 -14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.792 -15.315 -13.496 1.00 0.00 H new ATOM 243 N LYS A 16 2.423 -17.977 -11.707 1.00 0.00 N ATOM 244 CA LYS A 16 3.248 -19.015 -11.113 1.00 0.00 C ATOM 245 C LYS A 16 2.649 -20.384 -11.438 1.00 0.00 C ATOM 246 O LYS A 16 3.257 -21.177 -12.156 1.00 0.00 O ATOM 247 CB LYS A 16 3.430 -18.763 -9.615 1.00 0.00 C ATOM 248 CG LYS A 16 4.910 -18.810 -9.227 1.00 0.00 C ATOM 249 CD LYS A 16 5.076 -18.890 -7.708 1.00 0.00 C ATOM 250 CE LYS A 16 6.321 -19.698 -7.335 1.00 0.00 C ATOM 251 NZ LYS A 16 7.492 -18.805 -7.184 1.00 0.00 N ATOM 0 H LYS A 16 2.096 -17.266 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 16 4.251 -18.996 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.012 -17.791 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.877 -19.511 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.385 -19.673 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.417 -17.923 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.153 -17.885 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.193 -19.351 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.146 -20.238 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.522 -20.444 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.328 -19.369 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.668 -18.308 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.304 -18.109 -6.434 1.00 0.00 H new ATOM 265 N GLU A 17 1.465 -20.621 -10.894 1.00 0.00 N ATOM 266 CA GLU A 17 0.777 -21.882 -11.117 1.00 0.00 C ATOM 267 C GLU A 17 -0.554 -21.641 -11.831 1.00 0.00 C ATOM 268 O GLU A 17 -1.340 -20.790 -11.418 1.00 0.00 O ATOM 269 CB GLU A 17 0.565 -22.631 -9.800 1.00 0.00 C ATOM 270 CG GLU A 17 1.860 -23.298 -9.334 1.00 0.00 C ATOM 271 CD GLU A 17 1.616 -24.758 -8.945 1.00 0.00 C ATOM 272 OE1 GLU A 17 0.853 -24.967 -7.977 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.198 -25.631 -9.624 1.00 0.00 O ATOM 0 H GLU A 17 0.964 -19.961 -10.299 1.00 0.00 H new ATOM 0 HA GLU A 17 1.402 -22.507 -11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.213 -21.938 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.211 -23.385 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.605 -23.249 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.267 -22.754 -8.482 1.00 0.00 H new ATOM 280 N GLY A 18 -0.767 -22.406 -12.892 1.00 0.00 N ATOM 281 CA GLY A 18 -1.989 -22.286 -13.668 1.00 0.00 C ATOM 282 C GLY A 18 -2.084 -20.911 -14.333 1.00 0.00 C ATOM 283 O GLY A 18 -1.189 -20.081 -14.182 1.00 0.00 O ATOM 0 H GLY A 18 -0.113 -23.111 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.018 -23.065 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.852 -22.441 -13.020 1.00 0.00 H new ATOM 287 N ASP A 19 -3.178 -20.712 -15.053 1.00 0.00 N ATOM 288 CA ASP A 19 -3.402 -19.452 -15.741 1.00 0.00 C ATOM 289 C ASP A 19 -3.363 -18.308 -14.726 1.00 0.00 C ATOM 290 O ASP A 19 -3.915 -18.424 -13.633 1.00 0.00 O ATOM 291 CB ASP A 19 -4.772 -19.433 -16.423 1.00 0.00 C ATOM 292 CG ASP A 19 -4.828 -18.655 -17.740 1.00 0.00 C ATOM 293 OD1 ASP A 19 -4.842 -17.407 -17.662 1.00 0.00 O ATOM 294 OD2 ASP A 19 -4.855 -19.326 -18.794 1.00 0.00 O ATOM 0 H ASP A 19 -3.919 -21.402 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.623 -19.335 -16.494 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.081 -20.461 -16.612 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.499 -19.003 -15.733 1.00 0.00 H new ATOM 299 N PRO A 20 -2.688 -17.200 -15.135 1.00 0.00 N ATOM 300 CA PRO A 20 -2.570 -16.036 -14.273 1.00 0.00 C ATOM 301 C PRO A 20 -3.886 -15.257 -14.220 1.00 0.00 C ATOM 302 O PRO A 20 -4.016 -14.301 -13.457 1.00 0.00 O ATOM 303 CB PRO A 20 -1.424 -15.227 -14.860 1.00 0.00 C ATOM 304 CG PRO A 20 -1.250 -15.725 -16.285 1.00 0.00 C ATOM 305 CD PRO A 20 -2.022 -17.027 -16.422 1.00 0.00 C ATOM 0 HA PRO A 20 -2.364 -16.300 -13.236 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.650 -14.161 -14.844 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.510 -15.368 -14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.620 -14.986 -16.995 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.195 -15.882 -16.508 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.743 -16.976 -17.237 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.355 -17.862 -16.638 1.00 0.00 H new ATOM 313 N ASN A 21 -4.829 -15.695 -15.042 1.00 0.00 N ATOM 314 CA ASN A 21 -6.130 -15.051 -15.098 1.00 0.00 C ATOM 315 C ASN A 21 -7.064 -15.707 -14.079 1.00 0.00 C ATOM 316 O ASN A 21 -8.256 -15.405 -14.040 1.00 0.00 O ATOM 317 CB ASN A 21 -6.760 -15.203 -16.484 1.00 0.00 C ATOM 318 CG ASN A 21 -5.733 -14.934 -17.586 1.00 0.00 C ATOM 319 OD1 ASN A 21 -5.790 -15.489 -18.671 1.00 0.00 O ATOM 320 ND2 ASN A 21 -4.794 -14.056 -17.247 1.00 0.00 N ATOM 0 H ASN A 21 -4.718 -16.488 -15.674 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.992 -13.992 -14.879 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.163 -16.210 -16.596 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.597 -14.512 -16.585 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.062 -13.810 -17.913 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.806 -13.629 -16.321 1.00 0.00 H new ATOM 327 N GLN A 22 -6.488 -16.594 -13.281 1.00 0.00 N ATOM 328 CA GLN A 22 -7.254 -17.295 -12.265 1.00 0.00 C ATOM 329 C GLN A 22 -6.333 -17.765 -11.137 1.00 0.00 C ATOM 330 O GLN A 22 -5.402 -18.535 -11.370 1.00 0.00 O ATOM 331 CB GLN A 22 -8.022 -18.471 -12.872 1.00 0.00 C ATOM 332 CG GLN A 22 -7.310 -19.007 -14.117 1.00 0.00 C ATOM 333 CD GLN A 22 -7.950 -20.312 -14.595 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.160 -20.455 -14.654 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.072 -21.253 -14.931 1.00 0.00 N ATOM 0 H GLN A 22 -5.500 -16.843 -13.318 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.985 -16.603 -11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.119 -19.267 -12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.032 -18.154 -13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.353 -18.264 -14.913 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.256 -19.175 -13.894 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.072 -21.067 -14.858 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.399 -22.161 -15.262 1.00 0.00 H new ATOM 344 N LEU A 23 -6.626 -17.284 -9.938 1.00 0.00 N ATOM 345 CA LEU A 23 -5.837 -17.645 -8.773 1.00 0.00 C ATOM 346 C LEU A 23 -6.277 -19.022 -8.271 1.00 0.00 C ATOM 347 O LEU A 23 -7.306 -19.542 -8.698 1.00 0.00 O ATOM 348 CB LEU A 23 -5.918 -16.548 -7.709 1.00 0.00 C ATOM 349 CG LEU A 23 -5.100 -15.285 -7.985 1.00 0.00 C ATOM 350 CD1 LEU A 23 -3.720 -15.371 -7.329 1.00 0.00 C ATOM 351 CD2 LEU A 23 -5.004 -15.011 -9.487 1.00 0.00 C ATOM 0 H LEU A 23 -7.400 -16.647 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.782 -17.723 -9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.963 -16.261 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.592 -16.968 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.618 -14.438 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.159 -14.461 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.836 -15.483 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.181 -16.230 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.417 -14.108 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.521 -15.854 -9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.005 -14.875 -9.897 1.00 0.00 H new ATOM 363 N SER A 24 -5.475 -19.572 -7.371 1.00 0.00 N ATOM 364 CA SER A 24 -5.769 -20.878 -6.806 1.00 0.00 C ATOM 365 C SER A 24 -5.363 -20.914 -5.331 1.00 0.00 C ATOM 366 O SER A 24 -4.705 -19.997 -4.842 1.00 0.00 O ATOM 367 CB SER A 24 -5.054 -21.987 -7.580 1.00 0.00 C ATOM 368 OG SER A 24 -5.294 -21.899 -8.982 1.00 0.00 O ATOM 0 H SER A 24 -4.622 -19.137 -7.019 1.00 0.00 H new ATOM 0 HA SER A 24 -6.842 -21.051 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.982 -21.928 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.389 -22.958 -7.215 1.00 0.00 H new ATOM 0 HG SER A 24 -4.819 -22.623 -9.441 1.00 0.00 H new ATOM 374 N LYS A 25 -5.773 -21.982 -4.663 1.00 0.00 N ATOM 375 CA LYS A 25 -5.460 -22.150 -3.254 1.00 0.00 C ATOM 376 C LYS A 25 -3.944 -22.086 -3.062 1.00 0.00 C ATOM 377 O LYS A 25 -3.442 -21.229 -2.335 1.00 0.00 O ATOM 378 CB LYS A 25 -6.095 -23.432 -2.713 1.00 0.00 C ATOM 379 CG LYS A 25 -6.004 -23.487 -1.187 1.00 0.00 C ATOM 380 CD LYS A 25 -5.718 -24.911 -0.706 1.00 0.00 C ATOM 381 CE LYS A 25 -6.989 -25.762 -0.721 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.727 -27.076 -1.348 1.00 0.00 N ATOM 0 H LYS A 25 -6.320 -22.740 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.890 -21.338 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.139 -23.483 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.594 -24.300 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.216 -22.818 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.938 -23.132 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.962 -25.369 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.308 -24.882 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.350 -25.904 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.775 -25.242 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.601 -27.640 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.404 -26.935 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.992 -27.577 -0.809 1.00 0.00 H new ATOM 396 N GLU A 26 -3.256 -23.003 -3.726 1.00 0.00 N ATOM 397 CA GLU A 26 -1.807 -23.061 -3.637 1.00 0.00 C ATOM 398 C GLU A 26 -1.193 -21.736 -4.094 1.00 0.00 C ATOM 399 O GLU A 26 -0.266 -21.228 -3.465 1.00 0.00 O ATOM 400 CB GLU A 26 -1.254 -24.231 -4.453 1.00 0.00 C ATOM 401 CG GLU A 26 -0.446 -25.183 -3.569 1.00 0.00 C ATOM 402 CD GLU A 26 1.001 -24.707 -3.429 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.775 -24.958 -4.378 1.00 0.00 O ATOM 404 OE2 GLU A 26 1.300 -24.102 -2.377 1.00 0.00 O ATOM 0 H GLU A 26 -3.675 -23.712 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.533 -23.226 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.076 -24.773 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.623 -23.852 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.907 -25.250 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.463 -26.185 -3.997 1.00 0.00 H new ATOM 411 N GLU A 27 -1.735 -21.214 -5.184 1.00 0.00 N ATOM 412 CA GLU A 27 -1.252 -19.958 -5.732 1.00 0.00 C ATOM 413 C GLU A 27 -1.394 -18.839 -4.699 1.00 0.00 C ATOM 414 O GLU A 27 -0.414 -18.181 -4.352 1.00 0.00 O ATOM 415 CB GLU A 27 -1.989 -19.605 -7.026 1.00 0.00 C ATOM 416 CG GLU A 27 -1.195 -20.066 -8.251 1.00 0.00 C ATOM 417 CD GLU A 27 -1.462 -19.154 -9.451 1.00 0.00 C ATOM 418 OE1 GLU A 27 -2.622 -18.706 -9.576 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.500 -18.927 -10.215 1.00 0.00 O ATOM 0 H GLU A 27 -2.504 -21.638 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.195 -20.072 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.973 -20.074 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.149 -18.528 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.130 -20.066 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.467 -21.091 -8.501 1.00 0.00 H new ATOM 426 N LEU A 28 -2.622 -18.657 -4.235 1.00 0.00 N ATOM 427 CA LEU A 28 -2.904 -17.628 -3.248 1.00 0.00 C ATOM 428 C LEU A 28 -2.033 -17.861 -2.012 1.00 0.00 C ATOM 429 O LEU A 28 -1.454 -16.920 -1.471 1.00 0.00 O ATOM 430 CB LEU A 28 -4.402 -17.575 -2.943 1.00 0.00 C ATOM 431 CG LEU A 28 -4.938 -16.232 -2.445 1.00 0.00 C ATOM 432 CD1 LEU A 28 -4.012 -15.085 -2.856 1.00 0.00 C ATOM 433 CD2 LEU A 28 -6.376 -16.005 -2.918 1.00 0.00 C ATOM 0 H LEU A 28 -3.433 -19.204 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.647 -16.644 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.946 -17.848 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.627 -18.334 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.957 -16.256 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.416 -14.142 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.022 -15.246 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.937 -15.050 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.733 -15.043 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.406 -16.010 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.015 -16.800 -2.534 1.00 0.00 H new ATOM 445 N LYS A 29 -1.968 -19.119 -1.602 1.00 0.00 N ATOM 446 CA LYS A 29 -1.177 -19.487 -0.439 1.00 0.00 C ATOM 447 C LYS A 29 0.158 -18.741 -0.480 1.00 0.00 C ATOM 448 O LYS A 29 0.501 -18.025 0.459 1.00 0.00 O ATOM 449 CB LYS A 29 -1.030 -21.007 -0.351 1.00 0.00 C ATOM 450 CG LYS A 29 -0.220 -21.409 0.883 1.00 0.00 C ATOM 451 CD LYS A 29 -0.706 -22.746 1.447 1.00 0.00 C ATOM 452 CE LYS A 29 -0.039 -23.919 0.726 1.00 0.00 C ATOM 453 NZ LYS A 29 -0.993 -25.039 0.565 1.00 0.00 N ATOM 0 H LYS A 29 -2.450 -19.896 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.683 -19.185 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.016 -21.469 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.540 -21.381 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.836 -21.483 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.306 -20.636 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.486 -22.797 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.789 -22.818 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.320 -23.596 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.831 -24.253 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.524 -25.827 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.316 -25.358 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.811 -24.721 0.007 1.00 0.00 H new ATOM 467 N LEU A 30 0.875 -18.936 -1.577 1.00 0.00 N ATOM 468 CA LEU A 30 2.166 -18.291 -1.751 1.00 0.00 C ATOM 469 C LEU A 30 2.009 -16.783 -1.546 1.00 0.00 C ATOM 470 O LEU A 30 2.674 -16.196 -0.694 1.00 0.00 O ATOM 471 CB LEU A 30 2.774 -18.668 -3.104 1.00 0.00 C ATOM 472 CG LEU A 30 2.964 -20.164 -3.360 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.055 -20.407 -4.405 1.00 0.00 C ATOM 474 CD2 LEU A 30 3.243 -20.913 -2.055 1.00 0.00 C ATOM 0 H LEU A 30 0.587 -19.531 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 30 2.873 -18.643 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.138 -18.263 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.744 -18.178 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 30 2.034 -20.562 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.170 -21.479 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.775 -19.925 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.998 -19.991 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.374 -21.974 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.150 -20.519 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.404 -20.779 -1.372 1.00 0.00 H new ATOM 486 N LEU A 31 1.125 -16.198 -2.342 1.00 0.00 N ATOM 487 CA LEU A 31 0.873 -14.770 -2.258 1.00 0.00 C ATOM 488 C LEU A 31 0.617 -14.386 -0.800 1.00 0.00 C ATOM 489 O LEU A 31 1.386 -13.631 -0.208 1.00 0.00 O ATOM 490 CB LEU A 31 -0.258 -14.369 -3.208 1.00 0.00 C ATOM 491 CG LEU A 31 -0.235 -12.923 -3.705 1.00 0.00 C ATOM 492 CD1 LEU A 31 -0.216 -12.869 -5.234 1.00 0.00 C ATOM 493 CD2 LEU A 31 -1.400 -12.122 -3.118 1.00 0.00 C ATOM 0 H LEU A 31 0.575 -16.688 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 31 1.748 -14.209 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.230 -15.030 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.208 -14.544 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 31 0.686 -12.456 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.200 -11.829 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.672 -13.380 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.107 -13.359 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.360 -11.097 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.343 -12.579 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.328 -12.118 -2.030 1.00 0.00 H new ATOM 505 N LEU A 32 -0.468 -14.924 -0.262 1.00 0.00 N ATOM 506 CA LEU A 32 -0.836 -14.647 1.117 1.00 0.00 C ATOM 507 C LEU A 32 0.391 -14.826 2.013 1.00 0.00 C ATOM 508 O LEU A 32 0.457 -14.259 3.102 1.00 0.00 O ATOM 509 CB LEU A 32 -2.033 -15.504 1.534 1.00 0.00 C ATOM 510 CG LEU A 32 -3.273 -15.403 0.645 1.00 0.00 C ATOM 511 CD1 LEU A 32 -4.231 -16.567 0.904 1.00 0.00 C ATOM 512 CD2 LEU A 32 -3.961 -14.046 0.815 1.00 0.00 C ATOM 0 H LEU A 32 -1.104 -15.550 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.161 -13.612 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.715 -16.546 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.315 -15.228 2.550 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.954 -15.475 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.104 -16.470 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.725 -17.509 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.547 -16.553 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.840 -14.000 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.265 -13.920 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.269 -13.250 0.540 1.00 0.00 H new ATOM 524 N GLN A 33 1.333 -15.618 1.521 1.00 0.00 N ATOM 525 CA GLN A 33 2.554 -15.879 2.264 1.00 0.00 C ATOM 526 C GLN A 33 3.412 -14.614 2.337 1.00 0.00 C ATOM 527 O GLN A 33 3.700 -14.117 3.425 1.00 0.00 O ATOM 528 CB GLN A 33 3.337 -17.037 1.643 1.00 0.00 C ATOM 529 CG GLN A 33 3.882 -17.973 2.723 1.00 0.00 C ATOM 530 CD GLN A 33 4.886 -18.966 2.134 1.00 0.00 C ATOM 531 OE1 GLN A 33 6.074 -18.704 2.039 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.345 -20.116 1.744 1.00 0.00 N ATOM 0 H GLN A 33 1.275 -16.087 0.617 1.00 0.00 H new ATOM 0 HA GLN A 33 2.283 -16.170 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.691 -17.595 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.161 -16.645 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.362 -17.388 3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.059 -18.516 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.343 -20.271 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.932 -20.844 1.337 1.00 0.00 H new ATOM 541 N THR A 34 3.795 -14.129 1.165 1.00 0.00 N ATOM 542 CA THR A 34 4.614 -12.932 1.082 1.00 0.00 C ATOM 543 C THR A 34 3.734 -11.680 1.128 1.00 0.00 C ATOM 544 O THR A 34 3.991 -10.765 1.909 1.00 0.00 O ATOM 545 CB THR A 34 5.467 -13.029 -0.184 1.00 0.00 C ATOM 546 OG1 THR A 34 6.759 -13.394 0.295 1.00 0.00 O ATOM 547 CG2 THR A 34 5.687 -11.668 -0.848 1.00 0.00 C ATOM 0 H THR A 34 3.553 -14.544 0.265 1.00 0.00 H new ATOM 0 HA THR A 34 5.285 -12.852 1.937 1.00 0.00 H new ATOM 0 HB THR A 34 4.989 -13.705 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.376 -13.480 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.298 -11.794 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.724 -11.238 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.195 -11.001 -0.151 1.00 0.00 H new ATOM 555 N GLU A 35 2.716 -11.681 0.280 1.00 0.00 N ATOM 556 CA GLU A 35 1.797 -10.557 0.214 1.00 0.00 C ATOM 557 C GLU A 35 1.364 -10.141 1.621 1.00 0.00 C ATOM 558 O GLU A 35 1.605 -9.010 2.040 1.00 0.00 O ATOM 559 CB GLU A 35 0.584 -10.891 -0.657 1.00 0.00 C ATOM 560 CG GLU A 35 -0.492 -9.810 -0.536 1.00 0.00 C ATOM 561 CD GLU A 35 -0.057 -8.523 -1.240 1.00 0.00 C ATOM 562 OE1 GLU A 35 0.074 -8.572 -2.482 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.134 -7.519 -0.520 1.00 0.00 O ATOM 0 H GLU A 35 2.507 -12.442 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 35 2.315 -9.717 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.894 -10.986 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.172 -11.855 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.424 -10.170 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.690 -9.604 0.516 1.00 0.00 H new ATOM 570 N PHE A 36 0.733 -11.079 2.313 1.00 0.00 N ATOM 571 CA PHE A 36 0.264 -10.824 3.664 1.00 0.00 C ATOM 572 C PHE A 36 0.230 -12.115 4.485 1.00 0.00 C ATOM 573 O PHE A 36 -0.781 -12.816 4.505 1.00 0.00 O ATOM 574 CB PHE A 36 -1.158 -10.270 3.547 1.00 0.00 C ATOM 575 CG PHE A 36 -1.224 -8.827 3.043 1.00 0.00 C ATOM 576 CD1 PHE A 36 -0.391 -7.886 3.563 1.00 0.00 C ATOM 577 CD2 PHE A 36 -2.115 -8.486 2.074 1.00 0.00 C ATOM 578 CE1 PHE A 36 -0.453 -6.547 3.095 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.176 -7.147 1.605 1.00 0.00 C ATOM 580 CZ PHE A 36 -1.344 -6.206 2.126 1.00 0.00 C ATOM 0 H PHE A 36 0.536 -12.017 1.963 1.00 0.00 H new ATOM 0 HA PHE A 36 0.933 -10.124 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.730 -10.906 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.640 -10.326 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.317 -8.157 4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.776 -9.233 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.207 -5.799 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.883 -6.876 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.391 -5.187 1.770 1.00 0.00 H new ATOM 590 N PRO A 37 1.376 -12.397 5.160 1.00 0.00 N ATOM 591 CA PRO A 37 1.487 -13.591 5.980 1.00 0.00 C ATOM 592 C PRO A 37 0.714 -13.430 7.291 1.00 0.00 C ATOM 593 O PRO A 37 0.355 -14.417 7.930 1.00 0.00 O ATOM 594 CB PRO A 37 2.979 -13.787 6.191 1.00 0.00 C ATOM 595 CG PRO A 37 3.624 -12.446 5.877 1.00 0.00 C ATOM 596 CD PRO A 37 2.593 -11.590 5.160 1.00 0.00 C ATOM 0 HA PRO A 37 1.047 -14.468 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.192 -14.092 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.366 -14.569 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.955 -11.958 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.507 -12.584 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.439 -10.641 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.911 -11.354 4.145 1.00 0.00 H new ATOM 604 N SER A 38 0.481 -12.176 7.653 1.00 0.00 N ATOM 605 CA SER A 38 -0.243 -11.873 8.875 1.00 0.00 C ATOM 606 C SER A 38 -1.713 -12.268 8.725 1.00 0.00 C ATOM 607 O SER A 38 -2.365 -12.631 9.703 1.00 0.00 O ATOM 608 CB SER A 38 -0.125 -10.389 9.231 1.00 0.00 C ATOM 609 OG SER A 38 -0.356 -10.152 10.617 1.00 0.00 O ATOM 0 H SER A 38 0.781 -11.359 7.121 1.00 0.00 H new ATOM 0 HA SER A 38 0.200 -12.450 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.868 -10.030 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.841 -9.817 8.641 1.00 0.00 H new ATOM 0 HG SER A 38 -0.270 -9.194 10.804 1.00 0.00 H new ATOM 615 N LEU A 39 -2.193 -12.183 7.493 1.00 0.00 N ATOM 616 CA LEU A 39 -3.574 -12.527 7.203 1.00 0.00 C ATOM 617 C LEU A 39 -3.766 -14.035 7.374 1.00 0.00 C ATOM 618 O LEU A 39 -4.887 -14.504 7.570 1.00 0.00 O ATOM 619 CB LEU A 39 -3.976 -12.010 5.820 1.00 0.00 C ATOM 620 CG LEU A 39 -5.100 -10.973 5.793 1.00 0.00 C ATOM 621 CD1 LEU A 39 -6.472 -11.651 5.808 1.00 0.00 C ATOM 622 CD2 LEU A 39 -4.946 -9.966 6.934 1.00 0.00 C ATOM 0 H LEU A 39 -1.650 -11.881 6.684 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.245 -12.037 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.096 -11.575 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.279 -12.861 5.210 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.026 -10.415 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.253 -10.891 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.569 -12.295 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.572 -12.251 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.758 -9.240 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.978 -10.490 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.992 -9.449 6.836 1.00 0.00 H new ATOM 634 N LEU A 40 -2.656 -14.754 7.295 1.00 0.00 N ATOM 635 CA LEU A 40 -2.688 -16.200 7.439 1.00 0.00 C ATOM 636 C LEU A 40 -2.891 -16.556 8.913 1.00 0.00 C ATOM 637 O LEU A 40 -3.433 -17.614 9.230 1.00 0.00 O ATOM 638 CB LEU A 40 -1.438 -16.828 6.820 1.00 0.00 C ATOM 639 CG LEU A 40 -1.306 -16.704 5.301 1.00 0.00 C ATOM 640 CD1 LEU A 40 0.070 -17.178 4.830 1.00 0.00 C ATOM 641 CD2 LEU A 40 -2.442 -17.442 4.590 1.00 0.00 C ATOM 0 H LEU A 40 -1.728 -14.362 7.133 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.531 -16.620 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.561 -16.372 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.420 -17.886 7.081 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.391 -15.650 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.138 -17.079 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.844 -16.570 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.210 -18.222 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.324 -17.338 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.414 -18.498 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.398 -17.016 4.893 1.00 0.00 H new ATOM 653 N LYS A 41 -2.446 -15.653 9.774 1.00 0.00 N ATOM 654 CA LYS A 41 -2.572 -15.860 11.207 1.00 0.00 C ATOM 655 C LYS A 41 -4.040 -15.715 11.611 1.00 0.00 C ATOM 656 O LYS A 41 -4.499 -16.374 12.543 1.00 0.00 O ATOM 657 CB LYS A 41 -1.629 -14.925 11.967 1.00 0.00 C ATOM 658 CG LYS A 41 -2.343 -13.632 12.367 1.00 0.00 C ATOM 659 CD LYS A 41 -2.975 -13.761 13.754 1.00 0.00 C ATOM 660 CE LYS A 41 -4.331 -13.055 13.807 1.00 0.00 C ATOM 661 NZ LYS A 41 -5.333 -13.906 14.487 1.00 0.00 N ATOM 0 H LYS A 41 -1.998 -14.776 9.507 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.266 -16.871 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.253 -15.428 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.765 -14.690 11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.634 -12.804 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.113 -13.396 11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.100 -14.815 14.004 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.308 -13.332 14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.233 -12.106 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.667 -12.824 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.277 -13.483 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.329 -14.855 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.098 -13.979 15.497 1.00 0.00 H new ATOM 675 N GLY A 42 -4.736 -14.848 10.891 1.00 0.00 N ATOM 676 CA GLY A 42 -6.143 -14.608 11.163 1.00 0.00 C ATOM 677 C GLY A 42 -6.875 -15.918 11.462 1.00 0.00 C ATOM 678 O GLY A 42 -6.348 -17.000 11.206 1.00 0.00 O ATOM 0 H GLY A 42 -4.352 -14.303 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.243 -13.930 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.604 -14.117 10.306 1.00 0.00 H new ATOM 682 N MET A 43 -8.078 -15.778 12.001 1.00 0.00 N ATOM 683 CA MET A 43 -8.887 -16.937 12.337 1.00 0.00 C ATOM 684 C MET A 43 -9.385 -17.643 11.075 1.00 0.00 C ATOM 685 O MET A 43 -10.013 -18.697 11.156 1.00 0.00 O ATOM 686 CB MET A 43 -10.084 -16.496 13.182 1.00 0.00 C ATOM 687 CG MET A 43 -9.623 -15.808 14.469 1.00 0.00 C ATOM 688 SD MET A 43 -9.269 -17.030 15.721 1.00 0.00 S ATOM 689 CE MET A 43 -8.397 -16.018 16.904 1.00 0.00 C ATOM 0 H MET A 43 -8.511 -14.879 12.213 1.00 0.00 H new ATOM 0 HA MET A 43 -8.270 -17.636 12.902 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.710 -15.815 12.605 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.699 -17.362 13.428 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.734 -15.209 14.272 1.00 0.00 H new ATOM 0 HG3 MET A 43 -10.396 -15.126 14.823 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.101 -16.629 17.757 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.509 -15.594 16.435 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.048 -15.212 17.243 1.00 0.00 H new ATOM 699 N SER A 44 -9.087 -17.032 9.937 1.00 0.00 N ATOM 700 CA SER A 44 -9.497 -17.589 8.659 1.00 0.00 C ATOM 701 C SER A 44 -8.388 -18.481 8.097 1.00 0.00 C ATOM 702 O SER A 44 -7.436 -17.988 7.494 1.00 0.00 O ATOM 703 CB SER A 44 -9.845 -16.482 7.662 1.00 0.00 C ATOM 704 OG SER A 44 -10.961 -15.708 8.092 1.00 0.00 O ATOM 0 H SER A 44 -8.567 -16.157 9.874 1.00 0.00 H new ATOM 0 HA SER A 44 -10.392 -18.190 8.819 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.982 -15.830 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.064 -16.925 6.690 1.00 0.00 H new ATOM 0 HG SER A 44 -11.150 -15.011 7.430 1.00 0.00 H new ATOM 710 N THR A 45 -8.548 -19.778 8.315 1.00 0.00 N ATOM 711 CA THR A 45 -7.573 -20.743 7.838 1.00 0.00 C ATOM 712 C THR A 45 -7.463 -20.682 6.313 1.00 0.00 C ATOM 713 O THR A 45 -8.273 -20.031 5.655 1.00 0.00 O ATOM 714 CB THR A 45 -7.976 -22.123 8.363 1.00 0.00 C ATOM 715 OG1 THR A 45 -9.315 -22.291 7.904 1.00 0.00 O ATOM 716 CG2 THR A 45 -8.098 -22.156 9.887 1.00 0.00 C ATOM 0 H THR A 45 -9.339 -20.183 8.816 1.00 0.00 H new ATOM 0 HA THR A 45 -6.576 -20.515 8.214 1.00 0.00 H new ATOM 0 HB THR A 45 -7.243 -22.863 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.655 -23.162 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.386 -23.157 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.139 -21.893 10.335 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.856 -21.441 10.207 1.00 0.00 H new ATOM 724 N LEU A 46 -6.455 -21.367 5.796 1.00 0.00 N ATOM 725 CA LEU A 46 -6.229 -21.399 4.361 1.00 0.00 C ATOM 726 C LEU A 46 -7.529 -21.784 3.652 1.00 0.00 C ATOM 727 O LEU A 46 -8.096 -20.983 2.910 1.00 0.00 O ATOM 728 CB LEU A 46 -5.050 -22.315 4.024 1.00 0.00 C ATOM 729 CG LEU A 46 -4.265 -21.960 2.760 1.00 0.00 C ATOM 730 CD1 LEU A 46 -4.972 -22.485 1.509 1.00 0.00 C ATOM 731 CD2 LEU A 46 -4.005 -20.454 2.681 1.00 0.00 C ATOM 0 H LEU A 46 -5.785 -21.905 6.345 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.949 -20.410 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.361 -22.313 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.425 -23.333 3.921 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.294 -22.453 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.393 -22.219 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.063 -23.569 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.965 -22.041 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.445 -20.229 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.956 -19.921 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.428 -20.138 3.550 1.00 0.00 H new ATOM 743 N ASP A 47 -7.964 -23.009 3.907 1.00 0.00 N ATOM 744 CA ASP A 47 -9.187 -23.510 3.303 1.00 0.00 C ATOM 745 C ASP A 47 -10.274 -22.438 3.400 1.00 0.00 C ATOM 746 O ASP A 47 -10.917 -22.109 2.404 1.00 0.00 O ATOM 747 CB ASP A 47 -9.689 -24.759 4.030 1.00 0.00 C ATOM 748 CG ASP A 47 -9.349 -26.085 3.346 1.00 0.00 C ATOM 749 OD1 ASP A 47 -8.243 -26.158 2.767 1.00 0.00 O ATOM 750 OD2 ASP A 47 -10.203 -26.995 3.417 1.00 0.00 O ATOM 0 H ASP A 47 -7.491 -23.670 4.524 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.972 -23.760 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.270 -24.768 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.772 -24.689 4.136 1.00 0.00 H new ATOM 755 N GLU A 48 -10.447 -21.923 4.608 1.00 0.00 N ATOM 756 CA GLU A 48 -11.446 -20.895 4.848 1.00 0.00 C ATOM 757 C GLU A 48 -11.233 -19.716 3.896 1.00 0.00 C ATOM 758 O GLU A 48 -12.185 -19.221 3.294 1.00 0.00 O ATOM 759 CB GLU A 48 -11.418 -20.434 6.307 1.00 0.00 C ATOM 760 CG GLU A 48 -12.679 -20.883 7.048 1.00 0.00 C ATOM 761 CD GLU A 48 -13.031 -19.907 8.173 1.00 0.00 C ATOM 762 OE1 GLU A 48 -13.208 -18.712 7.853 1.00 0.00 O ATOM 763 OE2 GLU A 48 -13.114 -20.379 9.328 1.00 0.00 O ATOM 0 H GLU A 48 -9.912 -22.198 5.432 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.431 -21.320 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.536 -20.839 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.335 -19.348 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.511 -20.952 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.527 -21.880 7.461 1.00 0.00 H new ATOM 770 N LEU A 49 -9.979 -19.301 3.790 1.00 0.00 N ATOM 771 CA LEU A 49 -9.630 -18.190 2.921 1.00 0.00 C ATOM 772 C LEU A 49 -9.894 -18.583 1.466 1.00 0.00 C ATOM 773 O LEU A 49 -10.412 -17.784 0.688 1.00 0.00 O ATOM 774 CB LEU A 49 -8.193 -17.736 3.184 1.00 0.00 C ATOM 775 CG LEU A 49 -7.972 -16.224 3.265 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.109 -15.726 4.705 1.00 0.00 C ATOM 777 CD2 LEU A 49 -6.627 -15.833 2.649 1.00 0.00 C ATOM 0 H LEU A 49 -9.193 -19.714 4.291 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.258 -17.326 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.857 -18.183 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.557 -18.135 2.394 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.749 -15.733 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.947 -14.648 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.109 -15.953 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.369 -16.221 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.495 -14.753 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.821 -16.333 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.605 -16.134 1.601 1.00 0.00 H new ATOM 789 N PHE A 50 -9.527 -19.814 1.143 1.00 0.00 N ATOM 790 CA PHE A 50 -9.718 -20.323 -0.204 1.00 0.00 C ATOM 791 C PHE A 50 -11.198 -20.306 -0.593 1.00 0.00 C ATOM 792 O PHE A 50 -11.566 -19.747 -1.625 1.00 0.00 O ATOM 793 CB PHE A 50 -9.218 -21.769 -0.212 1.00 0.00 C ATOM 794 CG PHE A 50 -9.218 -22.421 -1.596 1.00 0.00 C ATOM 795 CD1 PHE A 50 -8.912 -21.681 -2.696 1.00 0.00 C ATOM 796 CD2 PHE A 50 -9.523 -23.739 -1.727 1.00 0.00 C ATOM 797 CE1 PHE A 50 -8.912 -22.285 -3.980 1.00 0.00 C ATOM 798 CE2 PHE A 50 -9.523 -24.344 -3.012 1.00 0.00 C ATOM 799 CZ PHE A 50 -9.218 -23.604 -4.111 1.00 0.00 C ATOM 0 H PHE A 50 -9.098 -20.474 1.791 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.176 -19.701 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.205 -21.794 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.842 -22.362 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.669 -20.634 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.765 -24.326 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.669 -21.698 -4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.765 -25.391 -3.116 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.219 -24.064 -5.088 1.00 0.00 H new ATOM 809 N GLU A 51 -12.006 -20.924 0.255 1.00 0.00 N ATOM 810 CA GLU A 51 -13.438 -20.987 0.014 1.00 0.00 C ATOM 811 C GLU A 51 -14.068 -19.604 0.195 1.00 0.00 C ATOM 812 O GLU A 51 -14.939 -19.209 -0.578 1.00 0.00 O ATOM 813 CB GLU A 51 -14.104 -22.017 0.929 1.00 0.00 C ATOM 814 CG GLU A 51 -14.127 -21.528 2.379 1.00 0.00 C ATOM 815 CD GLU A 51 -15.260 -20.524 2.601 1.00 0.00 C ATOM 816 OE1 GLU A 51 -16.156 -20.479 1.731 1.00 0.00 O ATOM 817 OE2 GLU A 51 -15.204 -19.826 3.636 1.00 0.00 O ATOM 0 H GLU A 51 -11.697 -21.386 1.110 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.599 -21.307 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.122 -22.206 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.567 -22.963 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.252 -22.377 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.172 -21.064 2.625 1.00 0.00 H new ATOM 824 N GLU A 52 -13.601 -18.907 1.220 1.00 0.00 N ATOM 825 CA GLU A 52 -14.108 -17.576 1.513 1.00 0.00 C ATOM 826 C GLU A 52 -13.822 -16.631 0.344 1.00 0.00 C ATOM 827 O GLU A 52 -14.741 -16.032 -0.213 1.00 0.00 O ATOM 828 CB GLU A 52 -13.511 -17.036 2.814 1.00 0.00 C ATOM 829 CG GLU A 52 -14.035 -15.630 3.115 1.00 0.00 C ATOM 830 CD GLU A 52 -13.040 -14.847 3.973 1.00 0.00 C ATOM 831 OE1 GLU A 52 -13.002 -15.122 5.192 1.00 0.00 O ATOM 832 OE2 GLU A 52 -12.339 -13.990 3.392 1.00 0.00 O ATOM 0 H GLU A 52 -12.877 -19.238 1.858 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.188 -17.640 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.760 -17.705 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.424 -17.014 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.214 -15.097 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.992 -15.698 3.632 1.00 0.00 H new ATOM 839 N LEU A 53 -12.545 -16.527 0.007 1.00 0.00 N ATOM 840 CA LEU A 53 -12.127 -15.664 -1.085 1.00 0.00 C ATOM 841 C LEU A 53 -12.905 -16.036 -2.349 1.00 0.00 C ATOM 842 O LEU A 53 -13.573 -15.190 -2.941 1.00 0.00 O ATOM 843 CB LEU A 53 -10.608 -15.719 -1.259 1.00 0.00 C ATOM 844 CG LEU A 53 -9.778 -15.312 -0.040 1.00 0.00 C ATOM 845 CD1 LEU A 53 -8.431 -16.038 -0.027 1.00 0.00 C ATOM 846 CD2 LEU A 53 -9.611 -13.793 0.027 1.00 0.00 C ATOM 0 H LEU A 53 -11.786 -17.026 0.471 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.362 -14.623 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.331 -16.735 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.334 -15.072 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.317 -15.616 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.861 -15.731 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.598 -17.115 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.873 -15.786 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.017 -13.531 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.105 -13.443 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.591 -13.322 0.099 1.00 0.00 H new ATOM 858 N ASP A 54 -12.793 -17.302 -2.724 1.00 0.00 N ATOM 859 CA ASP A 54 -13.477 -17.795 -3.906 1.00 0.00 C ATOM 860 C ASP A 54 -14.984 -17.830 -3.641 1.00 0.00 C ATOM 861 O ASP A 54 -15.565 -18.902 -3.480 1.00 0.00 O ATOM 862 CB ASP A 54 -13.025 -19.215 -4.252 1.00 0.00 C ATOM 863 CG ASP A 54 -13.114 -19.579 -5.735 1.00 0.00 C ATOM 864 OD1 ASP A 54 -12.587 -18.788 -6.547 1.00 0.00 O ATOM 865 OD2 ASP A 54 -13.708 -20.640 -6.025 1.00 0.00 O ATOM 0 H ASP A 54 -12.238 -18.001 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.239 -17.129 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.993 -19.342 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.630 -19.921 -3.683 1.00 0.00 H new ATOM 870 N LYS A 55 -15.574 -16.644 -3.604 1.00 0.00 N ATOM 871 CA LYS A 55 -17.001 -16.525 -3.361 1.00 0.00 C ATOM 872 C LYS A 55 -17.767 -17.099 -4.555 1.00 0.00 C ATOM 873 O LYS A 55 -18.938 -17.453 -4.434 1.00 0.00 O ATOM 874 CB LYS A 55 -17.370 -15.078 -3.032 1.00 0.00 C ATOM 875 CG LYS A 55 -18.338 -15.014 -1.848 1.00 0.00 C ATOM 876 CD LYS A 55 -19.791 -15.059 -2.325 1.00 0.00 C ATOM 877 CE LYS A 55 -20.718 -15.552 -1.212 1.00 0.00 C ATOM 878 NZ LYS A 55 -22.046 -15.904 -1.762 1.00 0.00 N ATOM 0 H LYS A 55 -15.089 -15.757 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.288 -17.109 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.468 -14.513 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.825 -14.608 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.147 -15.848 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.166 -14.099 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.102 -14.066 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.873 -15.717 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.278 -16.421 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.826 -14.779 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.663 -16.237 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.470 -15.066 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.940 -16.657 -2.471 1.00 0.00 H new ATOM 892 N ASN A 56 -17.073 -17.173 -5.682 1.00 0.00 N ATOM 893 CA ASN A 56 -17.673 -17.697 -6.897 1.00 0.00 C ATOM 894 C ASN A 56 -17.639 -19.226 -6.858 1.00 0.00 C ATOM 895 O ASN A 56 -17.116 -19.816 -5.914 1.00 0.00 O ATOM 896 CB ASN A 56 -16.901 -17.238 -8.135 1.00 0.00 C ATOM 897 CG ASN A 56 -15.455 -17.735 -8.095 1.00 0.00 C ATOM 898 OD1 ASN A 56 -15.034 -18.428 -7.183 1.00 0.00 O ATOM 899 ND2 ASN A 56 -14.720 -17.344 -9.132 1.00 0.00 N ATOM 0 H ASN A 56 -16.101 -16.879 -5.779 1.00 0.00 H new ATOM 0 HA ASN A 56 -18.697 -17.328 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.393 -17.611 -9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.914 -16.150 -8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.741 -17.624 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.135 -16.764 -9.861 1.00 0.00 H new ATOM 906 N GLY A 57 -18.203 -19.825 -7.897 1.00 0.00 N ATOM 907 CA GLY A 57 -18.243 -21.274 -7.994 1.00 0.00 C ATOM 908 C GLY A 57 -17.445 -21.766 -9.203 1.00 0.00 C ATOM 909 O GLY A 57 -17.964 -22.511 -10.033 1.00 0.00 O ATOM 0 H GLY A 57 -18.636 -19.333 -8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.838 -21.714 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.277 -21.608 -8.076 1.00 0.00 H new ATOM 913 N ASP A 58 -16.196 -21.327 -9.266 1.00 0.00 N ATOM 914 CA ASP A 58 -15.321 -21.713 -10.360 1.00 0.00 C ATOM 915 C ASP A 58 -14.041 -22.328 -9.791 1.00 0.00 C ATOM 916 O ASP A 58 -13.684 -23.454 -10.133 1.00 0.00 O ATOM 917 CB ASP A 58 -14.928 -20.499 -11.204 1.00 0.00 C ATOM 918 CG ASP A 58 -16.051 -19.489 -11.447 1.00 0.00 C ATOM 919 OD1 ASP A 58 -17.216 -19.938 -11.505 1.00 0.00 O ATOM 920 OD2 ASP A 58 -15.719 -18.290 -11.569 1.00 0.00 O ATOM 0 H ASP A 58 -15.769 -20.708 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.856 -22.429 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.100 -19.987 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.560 -20.850 -12.168 1.00 0.00 H new ATOM 925 N GLY A 59 -13.385 -21.561 -8.932 1.00 0.00 N ATOM 926 CA GLY A 59 -12.152 -22.016 -8.313 1.00 0.00 C ATOM 927 C GLY A 59 -11.044 -20.972 -8.464 1.00 0.00 C ATOM 928 O GLY A 59 -9.942 -21.152 -7.948 1.00 0.00 O ATOM 0 H GLY A 59 -13.684 -20.628 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.325 -22.218 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.837 -22.954 -8.769 1.00 0.00 H new ATOM 932 N GLU A 60 -11.375 -19.904 -9.174 1.00 0.00 N ATOM 933 CA GLU A 60 -10.422 -18.831 -9.400 1.00 0.00 C ATOM 934 C GLU A 60 -10.861 -17.566 -8.660 1.00 0.00 C ATOM 935 O GLU A 60 -11.980 -17.091 -8.845 1.00 0.00 O ATOM 936 CB GLU A 60 -10.248 -18.558 -10.896 1.00 0.00 C ATOM 937 CG GLU A 60 -11.538 -18.007 -11.507 1.00 0.00 C ATOM 938 CD GLU A 60 -11.766 -18.575 -12.909 1.00 0.00 C ATOM 939 OE1 GLU A 60 -12.372 -19.665 -12.988 1.00 0.00 O ATOM 940 OE2 GLU A 60 -11.330 -17.905 -13.870 1.00 0.00 O ATOM 0 H GLU A 60 -12.290 -19.759 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.455 -19.142 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.437 -17.846 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.964 -19.478 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.384 -18.258 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.486 -16.919 -11.555 1.00 0.00 H new ATOM 947 N VAL A 61 -9.956 -17.056 -7.837 1.00 0.00 N ATOM 948 CA VAL A 61 -10.236 -15.856 -7.067 1.00 0.00 C ATOM 949 C VAL A 61 -10.150 -14.635 -7.986 1.00 0.00 C ATOM 950 O VAL A 61 -11.124 -13.899 -8.138 1.00 0.00 O ATOM 951 CB VAL A 61 -9.288 -15.770 -5.869 1.00 0.00 C ATOM 952 CG1 VAL A 61 -9.009 -14.313 -5.494 1.00 0.00 C ATOM 953 CG2 VAL A 61 -9.844 -16.547 -4.674 1.00 0.00 C ATOM 0 H VAL A 61 -9.028 -17.452 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.248 -15.889 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.342 -16.229 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.333 -14.280 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.550 -13.801 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.945 -13.818 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.151 -16.470 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.809 -16.130 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.968 -17.595 -4.947 1.00 0.00 H new ATOM 963 N SER A 62 -8.976 -14.458 -8.574 1.00 0.00 N ATOM 964 CA SER A 62 -8.751 -13.339 -9.473 1.00 0.00 C ATOM 965 C SER A 62 -8.839 -12.021 -8.701 1.00 0.00 C ATOM 966 O SER A 62 -9.448 -11.963 -7.634 1.00 0.00 O ATOM 967 CB SER A 62 -9.756 -13.348 -10.626 1.00 0.00 C ATOM 968 OG SER A 62 -10.761 -14.343 -10.450 1.00 0.00 O ATOM 0 H SER A 62 -8.171 -15.071 -8.445 1.00 0.00 H new ATOM 0 HA SER A 62 -7.752 -13.437 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.226 -12.368 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.230 -13.526 -11.564 1.00 0.00 H new ATOM 0 HG SER A 62 -11.452 -14.006 -9.843 1.00 0.00 H new ATOM 974 N PHE A 63 -8.223 -10.996 -9.271 1.00 0.00 N ATOM 975 CA PHE A 63 -8.225 -9.683 -8.650 1.00 0.00 C ATOM 976 C PHE A 63 -9.638 -9.279 -8.225 1.00 0.00 C ATOM 977 O PHE A 63 -9.817 -8.600 -7.215 1.00 0.00 O ATOM 978 CB PHE A 63 -7.717 -8.691 -9.698 1.00 0.00 C ATOM 979 CG PHE A 63 -7.401 -7.302 -9.140 1.00 0.00 C ATOM 980 CD1 PHE A 63 -6.709 -7.179 -7.975 1.00 0.00 C ATOM 981 CD2 PHE A 63 -7.811 -6.191 -9.808 1.00 0.00 C ATOM 982 CE1 PHE A 63 -6.416 -5.890 -7.457 1.00 0.00 C ATOM 983 CE2 PHE A 63 -7.518 -4.902 -9.290 1.00 0.00 C ATOM 984 CZ PHE A 63 -6.827 -4.778 -8.125 1.00 0.00 C ATOM 0 H PHE A 63 -7.719 -11.048 -10.156 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.596 -9.692 -7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.819 -9.098 -10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.466 -8.594 -10.484 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.383 -8.061 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.360 -6.289 -10.733 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.867 -5.792 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.844 -4.020 -9.821 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.605 -3.798 -7.730 1.00 0.00 H new ATOM 994 N GLU A 64 -10.606 -9.713 -9.019 1.00 0.00 N ATOM 995 CA GLU A 64 -11.998 -9.405 -8.738 1.00 0.00 C ATOM 996 C GLU A 64 -12.355 -9.815 -7.308 1.00 0.00 C ATOM 997 O GLU A 64 -12.799 -8.987 -6.514 1.00 0.00 O ATOM 998 CB GLU A 64 -12.924 -10.082 -9.750 1.00 0.00 C ATOM 999 CG GLU A 64 -12.388 -11.459 -10.148 1.00 0.00 C ATOM 1000 CD GLU A 64 -13.499 -12.511 -10.114 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -14.518 -12.238 -9.445 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -13.302 -13.564 -10.757 1.00 0.00 O ATOM 0 H GLU A 64 -10.454 -10.275 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.137 -8.328 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.922 -10.186 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.020 -9.455 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.959 -11.411 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.585 -11.750 -9.470 1.00 0.00 H new ATOM 1009 N GLU A 65 -12.146 -11.092 -7.023 1.00 0.00 N ATOM 1010 CA GLU A 65 -12.440 -11.622 -5.702 1.00 0.00 C ATOM 1011 C GLU A 65 -11.361 -11.192 -4.706 1.00 0.00 C ATOM 1012 O GLU A 65 -11.616 -11.115 -3.505 1.00 0.00 O ATOM 1013 CB GLU A 65 -12.575 -13.145 -5.740 1.00 0.00 C ATOM 1014 CG GLU A 65 -13.721 -13.571 -6.661 1.00 0.00 C ATOM 1015 CD GLU A 65 -13.440 -14.937 -7.290 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -13.441 -15.925 -6.525 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -13.230 -14.962 -8.522 1.00 0.00 O ATOM 0 H GLU A 65 -11.777 -11.775 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.395 -11.214 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.641 -13.588 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.753 -13.523 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -14.651 -13.612 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.858 -12.827 -7.445 1.00 0.00 H new ATOM 1024 N PHE A 66 -10.180 -10.922 -5.241 1.00 0.00 N ATOM 1025 CA PHE A 66 -9.061 -10.502 -4.414 1.00 0.00 C ATOM 1026 C PHE A 66 -9.396 -9.220 -3.650 1.00 0.00 C ATOM 1027 O PHE A 66 -8.980 -9.049 -2.505 1.00 0.00 O ATOM 1028 CB PHE A 66 -7.887 -10.229 -5.356 1.00 0.00 C ATOM 1029 CG PHE A 66 -6.532 -10.140 -4.651 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -6.211 -9.032 -3.930 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -5.648 -11.170 -4.744 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -4.953 -8.950 -3.276 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -4.390 -11.088 -4.090 1.00 0.00 C ATOM 1034 CZ PHE A 66 -4.070 -9.980 -3.370 1.00 0.00 C ATOM 0 H PHE A 66 -9.973 -10.986 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.825 -11.277 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.844 -11.020 -6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.071 -9.295 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.913 -8.215 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.903 -12.050 -5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.698 -8.070 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.688 -11.905 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.114 -9.918 -2.872 1.00 0.00 H new ATOM 1044 N GLN A 67 -10.145 -8.352 -4.313 1.00 0.00 N ATOM 1045 CA GLN A 67 -10.541 -7.090 -3.710 1.00 0.00 C ATOM 1046 C GLN A 67 -11.358 -7.342 -2.442 1.00 0.00 C ATOM 1047 O GLN A 67 -11.569 -6.429 -1.644 1.00 0.00 O ATOM 1048 CB GLN A 67 -11.322 -6.229 -4.704 1.00 0.00 C ATOM 1049 CG GLN A 67 -10.481 -5.923 -5.945 1.00 0.00 C ATOM 1050 CD GLN A 67 -10.580 -4.444 -6.324 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -11.272 -3.660 -5.695 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -9.851 -4.107 -7.384 1.00 0.00 N ATOM 0 H GLN A 67 -10.489 -8.497 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.640 -6.542 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.236 -6.745 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.623 -5.297 -4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.440 -6.185 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.819 -6.539 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.294 -4.813 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.849 -3.143 -7.716 1.00 0.00 H new ATOM 1061 N VAL A 68 -11.797 -8.583 -2.295 1.00 0.00 N ATOM 1062 CA VAL A 68 -12.586 -8.966 -1.137 1.00 0.00 C ATOM 1063 C VAL A 68 -11.674 -9.063 0.088 1.00 0.00 C ATOM 1064 O VAL A 68 -12.077 -8.712 1.196 1.00 0.00 O ATOM 1065 CB VAL A 68 -13.341 -10.266 -1.424 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -14.288 -10.615 -0.274 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -14.098 -10.178 -2.751 1.00 0.00 C ATOM 0 H VAL A 68 -11.621 -9.337 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.340 -8.208 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.608 -11.068 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.812 -11.543 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.715 -10.739 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.013 -9.812 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.626 -11.114 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.816 -9.359 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.392 -9.998 -3.561 1.00 0.00 H new ATOM 1077 N LEU A 69 -10.462 -9.542 -0.153 1.00 0.00 N ATOM 1078 CA LEU A 69 -9.489 -9.689 0.916 1.00 0.00 C ATOM 1079 C LEU A 69 -8.901 -8.319 1.257 1.00 0.00 C ATOM 1080 O LEU A 69 -8.639 -8.024 2.422 1.00 0.00 O ATOM 1081 CB LEU A 69 -8.437 -10.735 0.542 1.00 0.00 C ATOM 1082 CG LEU A 69 -7.717 -11.410 1.712 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -8.699 -11.757 2.833 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -6.931 -12.635 1.238 1.00 0.00 C ATOM 0 H LEU A 69 -10.132 -9.833 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.969 -10.063 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.919 -11.508 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.690 -10.259 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.996 -10.704 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.162 -12.235 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.175 -10.846 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.460 -12.437 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.429 -13.096 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.615 -13.354 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.189 -12.328 0.501 1.00 0.00 H new ATOM 1096 N VAL A 70 -8.709 -7.518 0.219 1.00 0.00 N ATOM 1097 CA VAL A 70 -8.156 -6.185 0.394 1.00 0.00 C ATOM 1098 C VAL A 70 -8.930 -5.457 1.495 1.00 0.00 C ATOM 1099 O VAL A 70 -8.414 -4.524 2.108 1.00 0.00 O ATOM 1100 CB VAL A 70 -8.165 -5.436 -0.940 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -8.259 -3.925 -0.718 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -6.936 -5.793 -1.778 1.00 0.00 C ATOM 0 H VAL A 70 -8.926 -7.766 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.115 -6.241 0.712 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.049 -5.749 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.264 -3.415 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.178 -3.693 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.402 -3.589 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.967 -5.247 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.032 -5.523 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.931 -6.864 -1.979 1.00 0.00 H new ATOM 1112 N LYS A 71 -10.156 -5.911 1.711 1.00 0.00 N ATOM 1113 CA LYS A 71 -11.007 -5.314 2.727 1.00 0.00 C ATOM 1114 C LYS A 71 -10.460 -5.663 4.113 1.00 0.00 C ATOM 1115 O LYS A 71 -10.412 -4.810 4.998 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.464 -5.730 2.518 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.406 -4.538 2.698 1.00 0.00 C ATOM 1118 CD LYS A 71 -14.741 -4.980 3.301 1.00 0.00 C ATOM 1119 CE LYS A 71 -15.186 -4.023 4.408 1.00 0.00 C ATOM 1120 NZ LYS A 71 -16.482 -3.398 4.062 1.00 0.00 N ATOM 0 H LYS A 71 -10.580 -6.685 1.200 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.995 -4.227 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.587 -6.147 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.727 -6.516 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.939 -3.795 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.579 -4.058 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.501 -5.018 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.646 -5.988 3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.276 -4.564 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.431 -3.251 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.770 -2.751 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.385 -2.865 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.204 -4.138 3.945 1.00 0.00 H new ATOM 1134 N LYS A 72 -10.062 -6.918 4.258 1.00 0.00 N ATOM 1135 CA LYS A 72 -9.521 -7.391 5.521 1.00 0.00 C ATOM 1136 C LYS A 72 -8.150 -6.754 5.753 1.00 0.00 C ATOM 1137 O LYS A 72 -7.855 -6.291 6.854 1.00 0.00 O ATOM 1138 CB LYS A 72 -9.503 -8.920 5.558 1.00 0.00 C ATOM 1139 CG LYS A 72 -10.925 -9.484 5.601 1.00 0.00 C ATOM 1140 CD LYS A 72 -11.584 -9.206 6.953 1.00 0.00 C ATOM 1141 CE LYS A 72 -12.472 -10.376 7.382 1.00 0.00 C ATOM 1142 NZ LYS A 72 -13.538 -9.911 8.296 1.00 0.00 N ATOM 0 H LYS A 72 -10.103 -7.622 3.521 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.161 -7.084 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.983 -9.303 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.947 -9.260 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.521 -9.039 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.900 -10.558 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.816 -9.032 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.181 -8.296 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.917 -10.844 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.868 -11.137 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.131 -10.718 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.109 -9.486 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.125 -9.202 7.812 1.00 0.00 H new ATOM 1156 N ILE A 73 -7.348 -6.751 4.698 1.00 0.00 N ATOM 1157 CA ILE A 73 -6.014 -6.179 4.773 1.00 0.00 C ATOM 1158 C ILE A 73 -6.119 -4.652 4.788 1.00 0.00 C ATOM 1159 O ILE A 73 -5.123 -3.960 4.990 1.00 0.00 O ATOM 1160 CB ILE A 73 -5.133 -6.724 3.648 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -5.209 -8.250 3.583 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -3.693 -6.226 3.789 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -5.207 -8.738 2.132 1.00 0.00 C ATOM 0 H ILE A 73 -7.596 -7.136 3.787 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.524 -6.475 5.701 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.513 -6.343 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.363 -8.683 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.113 -8.594 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.088 -6.628 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.679 -5.137 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.285 -6.558 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.262 -9.826 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.067 -8.323 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.290 -8.413 1.640 1.00 0.00 H new ATOM 1175 N SER A 74 -7.335 -4.172 4.571 1.00 0.00 N ATOM 1176 CA SER A 74 -7.583 -2.741 4.557 1.00 0.00 C ATOM 1177 C SER A 74 -7.939 -2.257 5.964 1.00 0.00 C ATOM 1178 O SER A 74 -7.580 -1.146 6.351 1.00 0.00 O ATOM 1179 CB SER A 74 -8.702 -2.385 3.575 1.00 0.00 C ATOM 1180 OG SER A 74 -8.203 -2.141 2.263 1.00 0.00 O ATOM 0 H SER A 74 -8.159 -4.749 4.403 1.00 0.00 H new ATOM 0 HA SER A 74 -6.673 -2.240 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.427 -3.198 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.230 -1.501 3.932 1.00 0.00 H new ATOM 0 HG SER A 74 -7.854 -2.975 1.885 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.639 -3.116 6.691 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.047 -2.790 8.047 1.00 0.00 C ATOM 1188 C GLN A 75 -7.832 -2.769 8.976 1.00 0.00 C ATOM 1189 O GLN A 75 -7.479 -1.724 9.520 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.107 -3.771 8.551 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.223 -3.037 9.298 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.309 -2.562 8.330 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.637 -1.390 8.252 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -12.845 -3.535 7.599 1.00 0.00 N ATOM 0 H GLN A 75 -8.934 -4.037 6.367 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.493 -1.795 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.528 -4.321 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.644 -4.505 9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.661 -3.698 10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.807 -2.182 9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.523 -4.496 7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.578 -3.320 6.923 1.00 0.00 H new