USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 500 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 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 164:sc= 0.62 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.42) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 117 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.312 9.507 -0.331 1.00 0.00 N ATOM 99 CA GLU A 56 1.476 8.095 -0.664 1.00 0.00 C ATOM 100 C GLU A 56 1.772 7.283 0.593 1.00 0.00 C ATOM 101 O GLU A 56 2.607 7.663 1.414 1.00 0.00 O ATOM 102 CB GLU A 56 2.622 7.906 -1.659 1.00 0.00 C ATOM 103 CG GLU A 56 2.384 8.790 -2.886 1.00 0.00 C ATOM 104 CD GLU A 56 3.666 8.877 -3.706 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.721 9.010 -3.109 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.574 8.807 -4.921 1.00 0.00 O ATOM 0 HA GLU A 56 0.546 7.747 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.571 8.165 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.689 6.860 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.578 8.378 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.071 9.786 -2.574 1.00 0.00 H new ATOM 113 N ILE A 57 1.073 6.159 0.734 1.00 0.00 N ATOM 114 CA ILE A 57 1.265 5.294 1.895 1.00 0.00 C ATOM 115 C ILE A 57 2.539 4.455 1.727 1.00 0.00 C ATOM 116 O ILE A 57 2.593 3.575 0.868 1.00 0.00 O ATOM 117 CB ILE A 57 0.069 4.351 2.059 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.228 5.165 2.070 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.197 3.585 3.378 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.425 4.219 1.968 1.00 0.00 C ATOM 0 H ILE A 57 0.376 5.829 0.067 1.00 0.00 H new ATOM 0 HA ILE A 57 1.356 5.926 2.779 1.00 0.00 H new ATOM 0 HB ILE A 57 0.050 3.646 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.293 5.753 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.235 5.869 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.655 2.914 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.119 3.003 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.218 4.291 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.348 4.798 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.361 3.650 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.420 3.533 2.815 1.00 0.00 H new ATOM 132 N PRO A 58 3.578 4.711 2.537 1.00 0.00 N ATOM 133 CA PRO A 58 4.840 3.959 2.448 1.00 0.00 C ATOM 134 C PRO A 58 4.699 2.526 2.956 1.00 0.00 C ATOM 135 O PRO A 58 4.050 2.273 3.971 1.00 0.00 O ATOM 136 CB PRO A 58 5.803 4.746 3.335 1.00 0.00 C ATOM 137 CG PRO A 58 4.933 5.466 4.305 1.00 0.00 C ATOM 138 CD PRO A 58 3.634 5.734 3.600 1.00 0.00 C ATOM 0 HA PRO A 58 5.178 3.866 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.500 4.082 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.400 5.443 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.771 4.866 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.399 6.398 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.787 5.647 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.607 6.741 3.184 1.00 0.00 H new ATOM 146 N ALA A 59 5.314 1.593 2.236 1.00 0.00 N ATOM 147 CA ALA A 59 5.252 0.185 2.618 1.00 0.00 C ATOM 148 C ALA A 59 5.993 -0.043 3.938 1.00 0.00 C ATOM 149 O ALA A 59 6.988 0.622 4.220 1.00 0.00 O ATOM 150 CB ALA A 59 5.882 -0.693 1.535 1.00 0.00 C ATOM 0 H ALA A 59 5.856 1.783 1.393 1.00 0.00 H new ATOM 0 HA ALA A 59 4.203 -0.085 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.827 -1.739 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.343 -0.557 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.926 -0.409 1.398 1.00 0.00 H new ATOM 156 N PRO A 60 5.518 -0.988 4.762 1.00 0.00 N ATOM 157 CA PRO A 60 6.150 -1.292 6.055 1.00 0.00 C ATOM 158 C PRO A 60 7.474 -2.037 5.892 1.00 0.00 C ATOM 159 O PRO A 60 8.366 -1.939 6.735 1.00 0.00 O ATOM 160 CB PRO A 60 5.128 -2.175 6.766 1.00 0.00 C ATOM 161 CG PRO A 60 4.331 -2.802 5.676 1.00 0.00 C ATOM 162 CD PRO A 60 4.336 -1.840 4.524 1.00 0.00 C ATOM 0 HA PRO A 60 6.396 -0.383 6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.619 -2.930 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.494 -1.588 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.764 -3.758 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.312 -3.002 6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.409 -2.363 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.420 -1.250 4.495 1.00 0.00 H new ATOM 170 N LEU A 61 7.590 -2.781 4.796 1.00 0.00 N ATOM 171 CA LEU A 61 8.807 -3.542 4.528 1.00 0.00 C ATOM 172 C LEU A 61 8.845 -3.991 3.071 1.00 0.00 C ATOM 173 O LEU A 61 7.865 -3.855 2.339 1.00 0.00 O ATOM 174 CB LEU A 61 8.878 -4.773 5.431 1.00 0.00 C ATOM 175 CG LEU A 61 7.623 -5.649 5.444 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.688 -6.653 4.292 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.545 -6.406 6.772 1.00 0.00 C ATOM 0 H LEU A 61 6.864 -2.873 4.085 1.00 0.00 H new ATOM 0 HA LEU A 61 9.660 -2.894 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.724 -5.384 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.082 -4.444 6.450 1.00 0.00 H new ATOM 0 HG LEU A 61 6.740 -5.020 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.794 -7.276 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.746 -6.117 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.570 -7.282 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.652 -7.030 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.428 -7.034 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.499 -5.693 7.595 1.00 0.00 H new ATOM 189 N ALA A 62 9.989 -4.532 2.660 1.00 0.00 N ATOM 190 CA ALA A 62 10.147 -5.002 1.288 1.00 0.00 C ATOM 191 C ALA A 62 9.523 -6.384 1.123 1.00 0.00 C ATOM 192 O ALA A 62 10.162 -7.405 1.374 1.00 0.00 O ATOM 193 CB ALA A 62 11.630 -5.077 0.915 1.00 0.00 C ATOM 0 H ALA A 62 10.812 -4.655 3.251 1.00 0.00 H new ATOM 0 HA ALA A 62 9.643 -4.294 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.730 -5.429 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.078 -4.087 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.140 -5.768 1.587 1.00 0.00 H new ATOM 199 N GLY A 63 8.263 -6.403 0.696 1.00 0.00 N ATOM 200 CA GLY A 63 7.554 -7.665 0.498 1.00 0.00 C ATOM 201 C GLY A 63 7.003 -7.759 -0.920 1.00 0.00 C ATOM 202 O GLY A 63 7.583 -7.221 -1.863 1.00 0.00 O ATOM 0 H GLY A 63 7.716 -5.569 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.229 -8.500 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.738 -7.746 1.216 1.00 0.00 H new ATOM 206 N THR A 64 5.874 -8.449 -1.061 1.00 0.00 N ATOM 207 CA THR A 64 5.249 -8.610 -2.370 1.00 0.00 C ATOM 208 C THR A 64 3.740 -8.405 -2.272 1.00 0.00 C ATOM 209 O THR A 64 3.094 -8.878 -1.337 1.00 0.00 O ATOM 210 CB THR A 64 5.527 -10.008 -2.929 1.00 0.00 C ATOM 211 OG1 THR A 64 6.921 -10.275 -2.862 1.00 0.00 O ATOM 212 CG2 THR A 64 5.059 -10.082 -4.383 1.00 0.00 C ATOM 0 H THR A 64 5.378 -8.901 -0.293 1.00 0.00 H new ATOM 0 HA THR A 64 5.674 -7.861 -3.038 1.00 0.00 H new ATOM 0 HB THR A 64 4.987 -10.749 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.100 -11.170 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.258 -11.078 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.989 -9.879 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.596 -9.342 -4.976 1.00 0.00 H new ATOM 220 N VAL A 65 3.188 -7.694 -3.252 1.00 0.00 N ATOM 221 CA VAL A 65 1.752 -7.429 -3.274 1.00 0.00 C ATOM 222 C VAL A 65 0.985 -8.708 -3.598 1.00 0.00 C ATOM 223 O VAL A 65 1.130 -9.277 -4.679 1.00 0.00 O ATOM 224 CB VAL A 65 1.414 -6.366 -4.324 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.050 -5.947 -4.174 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.312 -5.142 -4.124 1.00 0.00 C ATOM 0 H VAL A 65 3.707 -7.295 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 65 1.462 -7.065 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 65 1.577 -6.779 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.290 -5.191 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.693 -6.815 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.211 -5.536 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.070 -4.387 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.150 -4.731 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.356 -5.436 -4.230 1.00 0.00 H new ATOM 236 N SER A 66 0.171 -9.153 -2.645 1.00 0.00 N ATOM 237 CA SER A 66 -0.613 -10.371 -2.838 1.00 0.00 C ATOM 238 C SER A 66 -2.039 -10.031 -3.257 1.00 0.00 C ATOM 239 O SER A 66 -2.569 -10.592 -4.217 1.00 0.00 O ATOM 240 CB SER A 66 -0.656 -11.188 -1.546 1.00 0.00 C ATOM 241 OG SER A 66 -0.810 -12.564 -1.866 1.00 0.00 O ATOM 0 H SER A 66 0.037 -8.697 -1.743 1.00 0.00 H new ATOM 0 HA SER A 66 -0.135 -10.956 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.260 -11.036 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.482 -10.854 -0.918 1.00 0.00 H new ATOM 0 HG SER A 66 -0.583 -13.109 -1.084 1.00 0.00 H new ATOM 247 N LYS A 67 -2.658 -9.108 -2.525 1.00 0.00 N ATOM 248 CA LYS A 67 -4.027 -8.706 -2.830 1.00 0.00 C ATOM 249 C LYS A 67 -4.265 -7.254 -2.421 1.00 0.00 C ATOM 250 O LYS A 67 -3.735 -6.781 -1.414 1.00 0.00 O ATOM 251 CB LYS A 67 -5.024 -9.603 -2.091 1.00 0.00 C ATOM 252 CG LYS A 67 -6.445 -9.295 -2.566 1.00 0.00 C ATOM 253 CD LYS A 67 -7.414 -10.328 -1.986 1.00 0.00 C ATOM 254 CE LYS A 67 -7.568 -10.093 -0.482 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.467 -11.109 0.137 1.00 0.00 N ATOM 0 H LYS A 67 -2.240 -8.630 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.174 -8.806 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.789 -10.652 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.946 -9.441 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.735 -8.292 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.487 -9.313 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.383 -10.250 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.042 -11.336 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.589 -10.131 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.969 -9.095 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.551 -10.923 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.407 -11.055 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.070 -12.059 -0.010 1.00 0.00 H new ATOM 269 N ILE A 68 -5.076 -6.557 -3.212 1.00 0.00 N ATOM 270 CA ILE A 68 -5.390 -5.159 -2.928 1.00 0.00 C ATOM 271 C ILE A 68 -6.808 -5.047 -2.374 1.00 0.00 C ATOM 272 O ILE A 68 -7.740 -5.663 -2.889 1.00 0.00 O ATOM 273 CB ILE A 68 -5.280 -4.311 -4.199 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.911 -4.535 -4.850 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.433 -2.831 -3.841 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.990 -4.180 -6.336 1.00 0.00 C ATOM 0 H ILE A 68 -5.524 -6.933 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.675 -4.791 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.066 -4.602 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.157 -3.921 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.604 -5.574 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.355 -2.228 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.406 -2.667 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.647 -2.542 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.017 -4.339 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.732 -4.813 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.278 -3.134 -6.445 1.00 0.00 H new ATOM 288 N LEU A 69 -6.958 -4.257 -1.316 1.00 0.00 N ATOM 289 CA LEU A 69 -8.268 -4.075 -0.697 1.00 0.00 C ATOM 290 C LEU A 69 -8.935 -2.800 -1.203 1.00 0.00 C ATOM 291 O LEU A 69 -10.160 -2.715 -1.280 1.00 0.00 O ATOM 292 CB LEU A 69 -8.134 -3.997 0.824 1.00 0.00 C ATOM 293 CG LEU A 69 -8.042 -5.345 1.546 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.572 -5.740 1.707 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.694 -5.232 2.927 1.00 0.00 C ATOM 0 H LEU A 69 -6.200 -3.738 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.884 -4.933 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.245 -3.414 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.990 -3.450 1.219 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.560 -6.105 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.507 -6.699 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.108 -5.823 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.053 -4.980 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.628 -6.191 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.177 -4.471 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.741 -4.953 2.813 1.00 0.00 H new ATOM 307 N VAL A 70 -8.118 -1.805 -1.541 1.00 0.00 N ATOM 308 CA VAL A 70 -8.648 -0.536 -2.032 1.00 0.00 C ATOM 309 C VAL A 70 -8.146 -0.251 -3.445 1.00 0.00 C ATOM 310 O VAL A 70 -7.019 -0.593 -3.802 1.00 0.00 O ATOM 311 CB VAL A 70 -8.233 0.611 -1.107 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.822 0.373 0.284 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.706 0.670 -1.007 1.00 0.00 C ATOM 0 H VAL A 70 -7.101 -1.851 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.735 -0.612 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.604 1.553 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.530 1.187 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.909 0.333 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.448 -0.571 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.416 1.488 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.331 -0.271 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.283 0.835 -1.998 1.00 0.00 H new ATOM 323 N LYS A 71 -9.000 0.384 -4.242 1.00 0.00 N ATOM 324 CA LYS A 71 -8.641 0.718 -5.616 1.00 0.00 C ATOM 325 C LYS A 71 -9.019 2.163 -5.924 1.00 0.00 C ATOM 326 O LYS A 71 -9.796 2.785 -5.199 1.00 0.00 O ATOM 327 CB LYS A 71 -9.361 -0.207 -6.599 1.00 0.00 C ATOM 328 CG LYS A 71 -10.865 -0.172 -6.324 1.00 0.00 C ATOM 329 CD LYS A 71 -11.628 -0.447 -7.622 1.00 0.00 C ATOM 330 CE LYS A 71 -13.097 -0.730 -7.301 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.299 -2.145 -6.878 1.00 0.00 N ATOM 0 H LYS A 71 -9.937 0.675 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.564 0.591 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.160 0.107 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.986 -1.225 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.125 -0.917 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.149 0.800 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.550 0.410 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.188 -1.298 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.433 -0.061 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.710 -0.520 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.305 -2.304 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.000 -2.782 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.733 -2.337 -6.027 1.00 0.00 H new ATOM 345 N GLU A 72 -8.461 2.688 -7.011 1.00 0.00 N ATOM 346 CA GLU A 72 -8.743 4.065 -7.414 1.00 0.00 C ATOM 347 C GLU A 72 -10.234 4.245 -7.692 1.00 0.00 C ATOM 348 O GLU A 72 -10.742 3.821 -8.731 1.00 0.00 O ATOM 349 CB GLU A 72 -7.951 4.423 -8.675 1.00 0.00 C ATOM 350 CG GLU A 72 -7.503 5.884 -8.606 1.00 0.00 C ATOM 351 CD GLU A 72 -7.496 6.483 -10.008 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.673 6.064 -10.806 1.00 0.00 O ATOM 353 OE2 GLU A 72 -8.313 7.352 -10.264 1.00 0.00 O ATOM 0 H GLU A 72 -7.817 2.188 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.446 4.724 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.083 3.771 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.567 4.263 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.174 6.451 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.508 5.949 -8.167 1.00 0.00 H new ATOM 360 N GLY A 73 -10.928 4.878 -6.751 1.00 0.00 N ATOM 361 CA GLY A 73 -12.363 5.110 -6.902 1.00 0.00 C ATOM 362 C GLY A 73 -13.093 4.900 -5.579 1.00 0.00 C ATOM 363 O GLY A 73 -14.122 5.522 -5.318 1.00 0.00 O ATOM 0 H GLY A 73 -10.527 5.237 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.535 6.125 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.767 4.434 -7.656 1.00 0.00 H new ATOM 367 N ASP A 74 -12.550 4.017 -4.745 1.00 0.00 N ATOM 368 CA ASP A 74 -13.163 3.733 -3.449 1.00 0.00 C ATOM 369 C ASP A 74 -12.523 4.585 -2.358 1.00 0.00 C ATOM 370 O ASP A 74 -11.365 4.989 -2.464 1.00 0.00 O ATOM 371 CB ASP A 74 -12.996 2.255 -3.089 1.00 0.00 C ATOM 372 CG ASP A 74 -13.993 1.420 -3.887 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.236 1.761 -5.033 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.497 0.454 -3.340 1.00 0.00 O ATOM 0 H ASP A 74 -11.698 3.491 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.224 3.971 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.978 1.930 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.157 2.110 -2.021 1.00 0.00 H new ATOM 379 N THR A 75 -13.292 4.852 -1.306 1.00 0.00 N ATOM 380 CA THR A 75 -12.794 5.655 -0.194 1.00 0.00 C ATOM 381 C THR A 75 -12.292 4.752 0.928 1.00 0.00 C ATOM 382 O THR A 75 -12.745 3.618 1.080 1.00 0.00 O ATOM 383 CB THR A 75 -13.900 6.563 0.351 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.644 7.101 -0.734 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.276 7.700 1.160 1.00 0.00 C ATOM 0 H THR A 75 -14.253 4.528 -1.200 1.00 0.00 H new ATOM 0 HA THR A 75 -11.973 6.269 -0.563 1.00 0.00 H new ATOM 0 HB THR A 75 -14.563 5.985 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.354 7.681 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.064 8.346 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.706 7.285 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.613 8.281 0.519 1.00 0.00 H new ATOM 393 N VAL A 76 -11.348 5.267 1.711 1.00 0.00 N ATOM 394 CA VAL A 76 -10.788 4.494 2.816 1.00 0.00 C ATOM 395 C VAL A 76 -10.834 5.295 4.113 1.00 0.00 C ATOM 396 O VAL A 76 -11.095 6.498 4.110 1.00 0.00 O ATOM 397 CB VAL A 76 -9.337 4.112 2.521 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.295 3.164 1.322 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.532 5.373 2.201 1.00 0.00 C ATOM 0 H VAL A 76 -10.959 6.204 1.604 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.388 3.591 2.927 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.907 3.618 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.261 2.891 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.869 2.265 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.725 3.659 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.498 5.101 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.961 5.867 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.563 6.050 3.054 1.00 0.00 H new ATOM 409 N LYS A 77 -10.570 4.610 5.222 1.00 0.00 N ATOM 410 CA LYS A 77 -10.576 5.258 6.529 1.00 0.00 C ATOM 411 C LYS A 77 -9.296 4.924 7.288 1.00 0.00 C ATOM 412 O LYS A 77 -8.693 3.869 7.083 1.00 0.00 O ATOM 413 CB LYS A 77 -11.780 4.798 7.353 1.00 0.00 C ATOM 414 CG LYS A 77 -13.019 5.592 6.935 1.00 0.00 C ATOM 415 CD LYS A 77 -14.249 5.039 7.655 1.00 0.00 C ATOM 416 CE LYS A 77 -14.427 5.761 8.992 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.247 6.995 8.838 1.00 0.00 N ATOM 0 H LYS A 77 -10.351 3.614 5.242 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.639 6.335 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.951 3.732 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.584 4.943 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.887 6.646 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.157 5.528 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.136 5.173 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.135 3.968 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.905 5.092 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.450 6.020 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.349 7.461 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.778 7.643 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.187 6.744 8.471 1.00 0.00 H new ATOM 431 N ALA A 78 -8.885 5.835 8.165 1.00 0.00 N ATOM 432 CA ALA A 78 -7.670 5.631 8.950 1.00 0.00 C ATOM 433 C ALA A 78 -7.791 4.380 9.817 1.00 0.00 C ATOM 434 O ALA A 78 -8.441 4.391 10.862 1.00 0.00 O ATOM 435 CB ALA A 78 -7.410 6.837 9.855 1.00 0.00 C ATOM 0 H ALA A 78 -9.369 6.714 8.350 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.840 5.509 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.501 6.669 10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.291 7.732 9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.252 6.971 10.534 1.00 0.00 H new ATOM 441 N GLY A 79 -7.153 3.301 9.370 1.00 0.00 N ATOM 442 CA GLY A 79 -7.191 2.044 10.113 1.00 0.00 C ATOM 443 C GLY A 79 -7.551 0.876 9.200 1.00 0.00 C ATOM 444 O GLY A 79 -7.025 -0.228 9.344 1.00 0.00 O ATOM 0 H GLY A 79 -6.610 3.271 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.221 1.862 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.920 2.117 10.920 1.00 0.00 H new ATOM 448 N GLN A 80 -8.458 1.130 8.261 1.00 0.00 N ATOM 449 CA GLN A 80 -8.889 0.090 7.329 1.00 0.00 C ATOM 450 C GLN A 80 -7.718 -0.387 6.474 1.00 0.00 C ATOM 451 O GLN A 80 -6.882 0.407 6.039 1.00 0.00 O ATOM 452 CB GLN A 80 -9.992 0.619 6.411 1.00 0.00 C ATOM 453 CG GLN A 80 -10.668 -0.554 5.697 1.00 0.00 C ATOM 454 CD GLN A 80 -11.422 -0.040 4.475 1.00 0.00 C ATOM 455 OE1 GLN A 80 -10.819 0.510 3.552 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.717 -0.186 4.412 1.00 0.00 N ATOM 0 H GLN A 80 -8.905 2.036 8.125 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.271 -0.746 7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.726 1.177 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.571 1.310 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.921 -1.288 5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.355 -1.059 6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.217 -0.641 5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.230 0.155 3.599 1.00 0.00 H new ATOM 465 N THR A 81 -7.672 -1.695 6.234 1.00 0.00 N ATOM 466 CA THR A 81 -6.604 -2.278 5.425 1.00 0.00 C ATOM 467 C THR A 81 -6.726 -1.814 3.977 1.00 0.00 C ATOM 468 O THR A 81 -7.828 -1.692 3.442 1.00 0.00 O ATOM 469 CB THR A 81 -6.673 -3.807 5.469 1.00 0.00 C ATOM 470 OG1 THR A 81 -6.846 -4.232 6.813 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.377 -4.396 4.909 1.00 0.00 C ATOM 0 H THR A 81 -8.355 -2.367 6.584 1.00 0.00 H new ATOM 0 HA THR A 81 -5.649 -1.948 5.834 1.00 0.00 H new ATOM 0 HB THR A 81 -7.514 -4.150 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.892 -5.210 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.428 -5.484 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.245 -4.069 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.533 -4.055 5.509 1.00 0.00 H new ATOM 479 N VAL A 82 -5.583 -1.545 3.351 1.00 0.00 N ATOM 480 CA VAL A 82 -5.581 -1.080 1.964 1.00 0.00 C ATOM 481 C VAL A 82 -4.903 -2.088 1.033 1.00 0.00 C ATOM 482 O VAL A 82 -5.169 -2.112 -0.169 1.00 0.00 O ATOM 483 CB VAL A 82 -4.864 0.269 1.854 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.608 1.309 2.694 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.427 0.141 2.369 1.00 0.00 C ATOM 0 H VAL A 82 -4.659 -1.639 3.773 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.621 -0.971 1.658 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.846 0.580 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.099 2.270 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.630 1.409 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.626 0.990 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.924 1.105 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.441 -0.174 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.892 -0.599 1.774 1.00 0.00 H new ATOM 495 N LEU A 83 -4.019 -2.916 1.588 1.00 0.00 N ATOM 496 CA LEU A 83 -3.318 -3.906 0.775 1.00 0.00 C ATOM 497 C LEU A 83 -2.630 -4.943 1.655 1.00 0.00 C ATOM 498 O LEU A 83 -2.261 -4.667 2.797 1.00 0.00 O ATOM 499 CB LEU A 83 -2.268 -3.222 -0.102 1.00 0.00 C ATOM 500 CG LEU A 83 -1.652 -4.095 -1.200 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.280 -3.223 -2.401 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.393 -4.778 -0.662 1.00 0.00 C ATOM 0 H LEU A 83 -3.775 -2.922 2.578 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.056 -4.405 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.724 -2.349 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.466 -2.857 0.540 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.375 -4.850 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.842 -3.846 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.175 -2.734 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.558 -2.467 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.046 -5.399 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.328 -4.021 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.654 -5.401 0.193 1.00 0.00 H new ATOM 514 N VAL A 84 -2.455 -6.141 1.104 1.00 0.00 N ATOM 515 CA VAL A 84 -1.803 -7.222 1.838 1.00 0.00 C ATOM 516 C VAL A 84 -0.485 -7.593 1.162 1.00 0.00 C ATOM 517 O VAL A 84 -0.414 -7.728 -0.059 1.00 0.00 O ATOM 518 CB VAL A 84 -2.703 -8.459 1.891 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.085 -9.504 2.823 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.084 -8.063 2.418 1.00 0.00 C ATOM 0 H VAL A 84 -2.753 -6.387 0.160 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.612 -6.875 2.854 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.800 -8.878 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.727 -10.384 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.101 -9.788 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.986 -9.085 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.725 -8.944 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.985 -7.643 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.527 -7.320 1.755 1.00 0.00 H new ATOM 530 N LEU A 85 0.558 -7.751 1.970 1.00 0.00 N ATOM 531 CA LEU A 85 1.873 -8.103 1.440 1.00 0.00 C ATOM 532 C LEU A 85 2.301 -9.478 1.937 1.00 0.00 C ATOM 533 O LEU A 85 1.769 -9.993 2.920 1.00 0.00 O ATOM 534 CB LEU A 85 2.916 -7.071 1.867 1.00 0.00 C ATOM 535 CG LEU A 85 2.857 -5.732 1.128 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.717 -4.704 1.865 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.390 -5.915 -0.295 1.00 0.00 C ATOM 0 H LEU A 85 0.521 -7.643 2.984 1.00 0.00 H new ATOM 0 HA LEU A 85 1.802 -8.118 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.800 -6.883 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.907 -7.501 1.725 1.00 0.00 H new ATOM 0 HG LEU A 85 1.826 -5.382 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.675 -3.750 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.341 -4.575 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.749 -5.053 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.349 -4.963 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.422 -6.264 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.779 -6.649 -0.821 1.00 0.00 H new ATOM 549 N GLU A 86 3.272 -10.065 1.244 1.00 0.00 N ATOM 550 CA GLU A 86 3.773 -11.384 1.621 1.00 0.00 C ATOM 551 C GLU A 86 5.293 -11.427 1.486 1.00 0.00 C ATOM 552 O GLU A 86 5.830 -11.901 0.486 1.00 0.00 O ATOM 553 CB GLU A 86 3.148 -12.470 0.729 1.00 0.00 C ATOM 554 CG GLU A 86 2.209 -13.350 1.560 1.00 0.00 C ATOM 555 CD GLU A 86 1.169 -13.991 0.647 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.541 -14.868 -0.116 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.017 -13.596 0.724 1.00 0.00 O ATOM 0 H GLU A 86 3.724 -9.654 0.427 1.00 0.00 H new ATOM 0 HA GLU A 86 3.497 -11.573 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.597 -12.008 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.932 -13.081 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.780 -14.122 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.716 -12.751 2.326 1.00 0.00 H new ATOM 630 N GLU A 91 2.334 -12.778 5.765 1.00 0.00 N ATOM 631 CA GLU A 91 1.213 -11.900 5.445 1.00 0.00 C ATOM 632 C GLU A 91 1.286 -10.617 6.266 1.00 0.00 C ATOM 633 O GLU A 91 1.142 -10.635 7.488 1.00 0.00 O ATOM 634 CB GLU A 91 -0.117 -12.599 5.735 1.00 0.00 C ATOM 635 CG GLU A 91 -0.551 -13.404 4.510 1.00 0.00 C ATOM 636 CD GLU A 91 -0.018 -14.828 4.622 1.00 0.00 C ATOM 637 OE1 GLU A 91 1.102 -15.056 4.195 1.00 0.00 O ATOM 638 OE2 GLU A 91 -0.738 -15.670 5.134 1.00 0.00 O ATOM 0 HA GLU A 91 1.273 -11.657 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.013 -13.258 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.879 -11.862 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.638 -13.416 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.175 -12.934 3.601 1.00 0.00 H new ATOM 645 N THR A 92 1.509 -9.501 5.578 1.00 0.00 N ATOM 646 CA THR A 92 1.596 -8.206 6.249 1.00 0.00 C ATOM 647 C THR A 92 0.448 -7.306 5.808 1.00 0.00 C ATOM 648 O THR A 92 0.263 -7.050 4.617 1.00 0.00 O ATOM 649 CB THR A 92 2.924 -7.522 5.922 1.00 0.00 C ATOM 650 OG1 THR A 92 3.966 -8.488 5.913 1.00 0.00 O ATOM 651 CG2 THR A 92 3.223 -6.457 6.977 1.00 0.00 C ATOM 0 H THR A 92 1.632 -9.465 4.566 1.00 0.00 H new ATOM 0 HA THR A 92 1.534 -8.375 7.324 1.00 0.00 H new ATOM 0 HB THR A 92 2.858 -7.052 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.817 -8.050 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.170 -5.970 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.424 -5.715 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.289 -6.926 7.959 1.00 0.00 H new ATOM 659 N GLU A 93 -0.325 -6.830 6.779 1.00 0.00 N ATOM 660 CA GLU A 93 -1.460 -5.961 6.479 1.00 0.00 C ATOM 661 C GLU A 93 -1.059 -4.493 6.579 1.00 0.00 C ATOM 662 O GLU A 93 -0.477 -4.057 7.572 1.00 0.00 O ATOM 663 CB GLU A 93 -2.611 -6.224 7.449 1.00 0.00 C ATOM 664 CG GLU A 93 -3.017 -7.696 7.370 1.00 0.00 C ATOM 665 CD GLU A 93 -3.674 -8.113 8.681 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.815 -7.737 8.893 1.00 0.00 O ATOM 667 OE2 GLU A 93 -3.028 -8.802 9.452 1.00 0.00 O ATOM 0 H GLU A 93 -0.190 -7.028 7.770 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.782 -6.181 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.309 -5.973 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.461 -5.587 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.707 -7.850 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.142 -8.316 7.176 1.00 0.00 H new ATOM 674 N ILE A 94 -1.391 -3.734 5.539 1.00 0.00 N ATOM 675 CA ILE A 94 -1.075 -2.310 5.514 1.00 0.00 C ATOM 676 C ILE A 94 -2.369 -1.497 5.503 1.00 0.00 C ATOM 677 O ILE A 94 -3.125 -1.517 4.532 1.00 0.00 O ATOM 678 CB ILE A 94 -0.234 -1.968 4.276 1.00 0.00 C ATOM 679 CG1 ILE A 94 1.067 -2.775 4.309 1.00 0.00 C ATOM 680 CG2 ILE A 94 0.108 -0.473 4.269 1.00 0.00 C ATOM 681 CD1 ILE A 94 0.809 -4.192 3.796 1.00 0.00 C ATOM 0 H ILE A 94 -1.875 -4.077 4.709 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.498 -2.062 6.405 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.805 -2.213 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.824 -2.288 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.458 -2.812 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.705 -0.240 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.812 0.111 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.675 -0.225 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.737 -4.763 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.067 -4.678 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.439 -4.146 2.772 1.00 0.00 H new ATOM 693 N ASN A 95 -2.613 -0.785 6.599 1.00 0.00 N ATOM 694 CA ASN A 95 -3.817 0.032 6.715 1.00 0.00 C ATOM 695 C ASN A 95 -3.500 1.491 6.415 1.00 0.00 C ATOM 696 O ASN A 95 -2.370 1.947 6.590 1.00 0.00 O ATOM 697 CB ASN A 95 -4.402 -0.072 8.126 1.00 0.00 C ATOM 698 CG ASN A 95 -3.326 0.268 9.150 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.625 -0.617 9.641 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.153 1.511 9.508 1.00 0.00 N ATOM 0 H ASN A 95 -1.999 -0.757 7.413 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.545 -0.338 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.247 0.608 8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.780 -1.079 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.437 1.749 10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.734 2.244 9.101 1.00 0.00 H new ATOM 707 N ALA A 96 -4.516 2.220 5.963 1.00 0.00 N ATOM 708 CA ALA A 96 -4.343 3.632 5.638 1.00 0.00 C ATOM 709 C ALA A 96 -3.936 4.419 6.888 1.00 0.00 C ATOM 710 O ALA A 96 -4.415 4.139 7.986 1.00 0.00 O ATOM 711 CB ALA A 96 -5.646 4.213 5.082 1.00 0.00 C ATOM 0 H ALA A 96 -5.459 1.861 5.814 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.559 3.715 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.502 5.267 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.929 3.672 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.436 4.114 5.827 1.00 0.00 H new ATOM 717 N PRO A 97 -3.048 5.413 6.740 1.00 0.00 N ATOM 718 CA PRO A 97 -2.592 6.230 7.873 1.00 0.00 C ATOM 719 C PRO A 97 -3.672 7.192 8.362 1.00 0.00 C ATOM 720 O PRO A 97 -3.800 7.451 9.558 1.00 0.00 O ATOM 721 CB PRO A 97 -1.400 7.004 7.316 1.00 0.00 C ATOM 722 CG PRO A 97 -1.631 7.066 5.845 1.00 0.00 C ATOM 723 CD PRO A 97 -2.412 5.836 5.477 1.00 0.00 C ATOM 0 HA PRO A 97 -2.341 5.615 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.342 8.003 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.461 6.501 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.181 7.968 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.684 7.099 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.156 6.052 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.762 5.057 5.079 1.00 0.00 H new ATOM 731 N THR A 98 -4.447 7.716 7.417 1.00 0.00 N ATOM 732 CA THR A 98 -5.520 8.648 7.752 1.00 0.00 C ATOM 733 C THR A 98 -6.697 8.464 6.800 1.00 0.00 C ATOM 734 O THR A 98 -6.590 7.777 5.783 1.00 0.00 O ATOM 735 CB THR A 98 -5.023 10.093 7.658 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.002 10.177 6.674 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.467 10.532 9.013 1.00 0.00 C ATOM 0 H THR A 98 -4.354 7.514 6.422 1.00 0.00 H new ATOM 0 HA THR A 98 -5.841 8.442 8.773 1.00 0.00 H new ATOM 0 HB THR A 98 -5.851 10.746 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.684 11.102 6.611 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.113 11.561 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.252 10.467 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.639 9.882 9.294 1.00 0.00 H new ATOM 745 N ASP A 99 -7.821 9.087 7.138 1.00 0.00 N ATOM 746 CA ASP A 99 -9.015 8.987 6.303 1.00 0.00 C ATOM 747 C ASP A 99 -8.800 9.716 4.982 1.00 0.00 C ATOM 748 O ASP A 99 -8.176 10.776 4.934 1.00 0.00 O ATOM 749 CB ASP A 99 -10.225 9.592 7.016 1.00 0.00 C ATOM 750 CG ASP A 99 -9.892 11.008 7.476 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.097 11.140 8.392 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.437 11.939 6.906 1.00 0.00 O ATOM 0 H ASP A 99 -7.931 9.661 7.974 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.203 7.931 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.084 9.609 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.501 8.976 7.872 1.00 0.00 H new ATOM 757 N GLY A 100 -9.327 9.135 3.908 1.00 0.00 N ATOM 758 CA GLY A 100 -9.187 9.738 2.584 1.00 0.00 C ATOM 759 C GLY A 100 -9.749 8.819 1.505 1.00 0.00 C ATOM 760 O GLY A 100 -10.531 7.912 1.787 1.00 0.00 O ATOM 0 H GLY A 100 -9.849 8.259 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.708 10.695 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.135 9.942 2.382 1.00 0.00 H new ATOM 764 N LYS A 101 -9.339 9.066 0.263 1.00 0.00 N ATOM 765 CA LYS A 101 -9.806 8.258 -0.861 1.00 0.00 C ATOM 766 C LYS A 101 -8.638 7.878 -1.765 1.00 0.00 C ATOM 767 O LYS A 101 -7.671 8.628 -1.904 1.00 0.00 O ATOM 768 CB LYS A 101 -10.841 9.031 -1.680 1.00 0.00 C ATOM 769 CG LYS A 101 -11.473 8.101 -2.717 1.00 0.00 C ATOM 770 CD LYS A 101 -12.366 8.914 -3.656 1.00 0.00 C ATOM 771 CE LYS A 101 -13.025 7.980 -4.671 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.590 8.739 -5.823 1.00 0.00 N ATOM 0 H LYS A 101 -8.691 9.812 0.011 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.263 7.353 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.611 9.436 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.368 9.878 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.695 7.593 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.059 7.329 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.129 9.442 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.775 9.670 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.292 7.259 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.818 7.412 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.030 8.076 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.306 9.410 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.829 9.261 -6.302 1.00 0.00 H new ATOM 786 N VAL A 102 -8.738 6.702 -2.380 1.00 0.00 N ATOM 787 CA VAL A 102 -7.685 6.226 -3.273 1.00 0.00 C ATOM 788 C VAL A 102 -7.737 6.981 -4.599 1.00 0.00 C ATOM 789 O VAL A 102 -8.593 6.723 -5.444 1.00 0.00 O ATOM 790 CB VAL A 102 -7.851 4.727 -3.544 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.635 4.207 -4.314 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.965 3.976 -2.214 1.00 0.00 C ATOM 0 H VAL A 102 -9.529 6.067 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.724 6.402 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.753 4.566 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.755 3.141 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.550 4.739 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.733 4.370 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.083 2.910 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.063 4.140 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.830 4.343 -1.662 1.00 0.00 H new ATOM 802 N GLU A 103 -6.809 7.920 -4.768 1.00 0.00 N ATOM 803 CA GLU A 103 -6.758 8.714 -5.993 1.00 0.00 C ATOM 804 C GLU A 103 -5.861 8.047 -7.034 1.00 0.00 C ATOM 805 O GLU A 103 -6.066 8.202 -8.238 1.00 0.00 O ATOM 806 CB GLU A 103 -6.231 10.122 -5.702 1.00 0.00 C ATOM 807 CG GLU A 103 -4.861 10.031 -5.025 1.00 0.00 C ATOM 808 CD GLU A 103 -4.199 11.405 -5.031 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.261 12.066 -6.055 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.640 11.776 -4.012 1.00 0.00 O ATOM 0 H GLU A 103 -6.090 8.148 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.772 8.783 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.152 10.690 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.930 10.657 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.972 9.674 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.232 9.310 -5.548 1.00 0.00 H new ATOM 817 N LYS A 104 -4.862 7.305 -6.560 1.00 0.00 N ATOM 818 CA LYS A 104 -3.941 6.622 -7.466 1.00 0.00 C ATOM 819 C LYS A 104 -3.258 5.457 -6.756 1.00 0.00 C ATOM 820 O LYS A 104 -2.616 5.631 -5.720 1.00 0.00 O ATOM 821 CB LYS A 104 -2.873 7.592 -7.974 1.00 0.00 C ATOM 822 CG LYS A 104 -2.261 7.047 -9.266 1.00 0.00 C ATOM 823 CD LYS A 104 -0.984 7.824 -9.595 1.00 0.00 C ATOM 824 CE LYS A 104 -0.747 7.800 -11.106 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.057 9.038 -11.568 1.00 0.00 N ATOM 0 H LYS A 104 -4.671 7.162 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.518 6.244 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.313 8.573 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.098 7.724 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.035 5.986 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.975 7.137 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.072 8.853 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.133 7.383 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.148 6.928 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.701 7.698 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.089 8.991 -12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.641 9.867 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.864 9.121 -11.091 1.00 0.00 H new ATOM 839 N VAL A 105 -3.401 4.265 -7.330 1.00 0.00 N ATOM 840 CA VAL A 105 -2.790 3.072 -6.748 1.00 0.00 C ATOM 841 C VAL A 105 -1.501 2.722 -7.487 1.00 0.00 C ATOM 842 O VAL A 105 -1.530 2.233 -8.616 1.00 0.00 O ATOM 843 CB VAL A 105 -3.749 1.880 -6.829 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.163 0.688 -6.063 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.097 2.269 -6.215 1.00 0.00 C ATOM 0 H VAL A 105 -3.928 4.099 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.567 3.285 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.889 1.601 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.849 -0.157 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.205 0.409 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.018 0.963 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.781 1.422 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.954 2.551 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.517 3.112 -6.764 1.00 0.00 H new ATOM 855 N LEU A 106 -0.370 2.976 -6.833 1.00 0.00 N ATOM 856 CA LEU A 106 0.934 2.680 -7.428 1.00 0.00 C ATOM 857 C LEU A 106 1.402 1.263 -7.075 1.00 0.00 C ATOM 858 O LEU A 106 2.598 1.018 -6.916 1.00 0.00 O ATOM 859 CB LEU A 106 1.978 3.686 -6.940 1.00 0.00 C ATOM 860 CG LEU A 106 1.553 5.155 -7.004 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.305 5.952 -5.937 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.882 5.721 -8.387 1.00 0.00 C ATOM 0 H LEU A 106 -0.328 3.383 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 106 0.825 2.753 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.237 3.445 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.884 3.561 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 106 0.480 5.230 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.002 6.998 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.072 5.550 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.378 5.877 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.580 6.767 -8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.955 5.645 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.346 5.154 -9.149 1.00 0.00 H new ATOM 874 N VAL A 107 0.455 0.333 -6.957 1.00 0.00 N ATOM 875 CA VAL A 107 0.792 -1.049 -6.626 1.00 0.00 C ATOM 876 C VAL A 107 -0.309 -1.987 -7.109 1.00 0.00 C ATOM 877 O VAL A 107 -1.497 -1.703 -6.956 1.00 0.00 O ATOM 878 CB VAL A 107 0.953 -1.219 -5.113 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.190 -0.456 -4.640 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.287 -0.670 -4.402 1.00 0.00 C ATOM 0 H VAL A 107 -0.542 0.509 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 107 1.733 -1.293 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 107 1.068 -2.277 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.303 -0.578 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.074 -0.847 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.077 0.602 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.172 -0.791 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.403 0.388 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.170 -1.215 -4.736 1.00 0.00 H new ATOM 890 N LYS A 108 0.099 -3.109 -7.692 1.00 0.00 N ATOM 891 CA LYS A 108 -0.863 -4.085 -8.192 1.00 0.00 C ATOM 892 C LYS A 108 -0.576 -5.461 -7.600 1.00 0.00 C ATOM 893 O LYS A 108 0.403 -5.648 -6.876 1.00 0.00 O ATOM 894 CB LYS A 108 -0.795 -4.173 -9.719 1.00 0.00 C ATOM 895 CG LYS A 108 -1.805 -3.201 -10.333 1.00 0.00 C ATOM 896 CD LYS A 108 -1.134 -1.846 -10.568 1.00 0.00 C ATOM 897 CE LYS A 108 -1.763 -1.170 -11.787 1.00 0.00 C ATOM 898 NZ LYS A 108 -3.003 -0.430 -11.419 1.00 0.00 N ATOM 0 H LYS A 108 1.077 -3.364 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.860 -3.760 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.211 -3.934 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.010 -5.191 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.183 -3.600 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.662 -3.084 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.250 -1.213 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.064 -1.981 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.046 -0.482 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.996 -1.921 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.405 0.017 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.696 -1.092 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.775 0.303 -10.717 1.00 0.00 H new ATOM 912 N GLU A 109 -1.439 -6.421 -7.913 1.00 0.00 N ATOM 913 CA GLU A 109 -1.268 -7.778 -7.405 1.00 0.00 C ATOM 914 C GLU A 109 -0.097 -8.463 -8.102 1.00 0.00 C ATOM 915 O GLU A 109 0.186 -8.206 -9.272 1.00 0.00 O ATOM 916 CB GLU A 109 -2.536 -8.602 -7.637 1.00 0.00 C ATOM 917 CG GLU A 109 -3.499 -8.397 -6.465 1.00 0.00 C ATOM 918 CD GLU A 109 -4.519 -9.530 -6.441 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.102 -10.677 -6.427 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.703 -9.235 -6.435 1.00 0.00 O ATOM 0 H GLU A 109 -2.256 -6.288 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.069 -7.714 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.012 -8.301 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.284 -9.658 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.946 -8.371 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.007 -7.438 -6.562 1.00 0.00 H new ATOM 927 N ARG A 110 0.583 -9.339 -7.365 1.00 0.00 N ATOM 928 CA ARG A 110 1.729 -10.065 -7.914 1.00 0.00 C ATOM 929 C ARG A 110 2.847 -9.096 -8.289 1.00 0.00 C ATOM 930 O ARG A 110 3.575 -9.309 -9.258 1.00 0.00 O ATOM 931 CB ARG A 110 1.321 -10.865 -9.156 1.00 0.00 C ATOM 932 CG ARG A 110 2.237 -12.081 -9.303 1.00 0.00 C ATOM 933 CD ARG A 110 1.699 -13.231 -8.451 1.00 0.00 C ATOM 934 NE ARG A 110 0.502 -13.807 -9.060 1.00 0.00 N ATOM 935 CZ ARG A 110 0.301 -15.122 -9.065 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.438 -15.808 -7.963 1.00 0.00 N ATOM 937 NH2 ARG A 110 -0.033 -15.727 -10.172 1.00 0.00 N ATOM 0 H ARG A 110 0.364 -9.563 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 110 2.086 -10.752 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.283 -11.187 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.387 -10.237 -10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.292 -12.384 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.250 -11.826 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.464 -14.000 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.466 -12.870 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.190 -13.191 -9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.699 -15.336 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.284 -16.816 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.140 -15.192 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.187 -16.735 -10.176 1.00 0.00 H new ATOM 951 N ASP A 111 2.978 -8.031 -7.504 1.00 0.00 N ATOM 952 CA ASP A 111 4.013 -7.033 -7.754 1.00 0.00 C ATOM 953 C ASP A 111 4.919 -6.895 -6.535 1.00 0.00 C ATOM 954 O ASP A 111 4.471 -7.011 -5.395 1.00 0.00 O ATOM 955 CB ASP A 111 3.386 -5.673 -8.066 1.00 0.00 C ATOM 956 CG ASP A 111 2.830 -5.681 -9.486 1.00 0.00 C ATOM 957 OD1 ASP A 111 3.622 -5.756 -10.410 1.00 0.00 O ATOM 958 OD2 ASP A 111 1.619 -5.614 -9.627 1.00 0.00 O ATOM 0 H ASP A 111 2.386 -7.837 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 111 4.600 -7.364 -8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.590 -5.456 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.131 -4.885 -7.961 1.00 0.00 H new ATOM 963 N ALA A 112 6.201 -6.650 -6.787 1.00 0.00 N ATOM 964 CA ALA A 112 7.166 -6.501 -5.700 1.00 0.00 C ATOM 965 C ALA A 112 7.283 -5.039 -5.282 1.00 0.00 C ATOM 966 O ALA A 112 7.338 -4.139 -6.121 1.00 0.00 O ATOM 967 CB ALA A 112 8.543 -7.005 -6.136 1.00 0.00 C ATOM 0 H ALA A 112 6.594 -6.551 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 112 6.812 -7.091 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.250 -6.887 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.475 -8.058 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.886 -6.429 -6.996 1.00 0.00 H new ATOM 973 N VAL A 113 7.322 -4.814 -3.972 1.00 0.00 N ATOM 974 CA VAL A 113 7.437 -3.457 -3.443 1.00 0.00 C ATOM 975 C VAL A 113 8.699 -3.321 -2.601 1.00 0.00 C ATOM 976 O VAL A 113 9.458 -4.277 -2.435 1.00 0.00 O ATOM 977 CB VAL A 113 6.222 -3.112 -2.578 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.975 -3.030 -3.458 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.027 -4.197 -1.516 1.00 0.00 C ATOM 0 H VAL A 113 7.276 -5.545 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 113 7.486 -2.770 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 113 6.385 -2.151 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.110 -2.784 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.113 -2.257 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.811 -3.990 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.162 -3.952 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.864 -5.158 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.916 -4.255 -0.887 1.00 0.00 H new ATOM 989 N GLN A 114 8.916 -2.123 -2.068 1.00 0.00 N ATOM 990 CA GLN A 114 10.093 -1.872 -1.241 1.00 0.00 C ATOM 991 C GLN A 114 9.698 -1.137 0.035 1.00 0.00 C ATOM 992 O GLN A 114 8.827 -0.266 0.023 1.00 0.00 O ATOM 993 CB GLN A 114 11.118 -1.033 -2.007 1.00 0.00 C ATOM 994 CG GLN A 114 11.737 -1.879 -3.121 1.00 0.00 C ATOM 995 CD GLN A 114 12.467 -0.972 -4.106 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.997 0.071 -3.725 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.526 -1.312 -5.364 1.00 0.00 N ATOM 0 H GLN A 114 8.301 -1.319 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 114 10.536 -2.834 -0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.639 -0.150 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.895 -0.680 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.430 -2.605 -2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.960 -2.443 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.087 -2.177 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.012 -0.713 -6.032 1.00 0.00 H new ATOM 1006 N GLY A 115 10.348 -1.500 1.137 1.00 0.00 N ATOM 1007 CA GLY A 115 10.059 -0.872 2.425 1.00 0.00 C ATOM 1008 C GLY A 115 10.315 0.630 2.366 1.00 0.00 C ATOM 1009 O GLY A 115 11.458 1.084 2.418 1.00 0.00 O ATOM 0 H GLY A 115 11.072 -2.218 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.021 -1.058 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.680 -1.321 3.201 1.00 0.00 H new ATOM 1013 N GLY A 116 9.234 1.396 2.255 1.00 0.00 N ATOM 1014 CA GLY A 116 9.346 2.849 2.186 1.00 0.00 C ATOM 1015 C GLY A 116 8.686 3.382 0.920 1.00 0.00 C ATOM 1016 O GLY A 116 8.159 4.494 0.898 1.00 0.00 O ATOM 0 H GLY A 116 8.279 1.039 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.877 3.297 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.397 3.139 2.204 1.00 0.00 H new ATOM 1020 N GLN A 117 8.722 2.575 -0.139 1.00 0.00 N ATOM 1021 CA GLN A 117 8.124 2.973 -1.412 1.00 0.00 C ATOM 1022 C GLN A 117 6.630 3.232 -1.245 1.00 0.00 C ATOM 1023 O GLN A 117 5.943 2.534 -0.498 1.00 0.00 O ATOM 1024 CB GLN A 117 8.324 1.881 -2.464 1.00 0.00 C ATOM 1025 CG GLN A 117 8.406 2.517 -3.852 1.00 0.00 C ATOM 1026 CD GLN A 117 7.810 1.567 -4.886 1.00 0.00 C ATOM 1027 OE1 GLN A 117 7.028 1.981 -5.742 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.136 0.304 -4.855 1.00 0.00 N ATOM 0 H GLN A 117 9.154 1.651 -0.142 1.00 0.00 H new ATOM 0 HA GLN A 117 8.617 3.888 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.236 1.322 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.499 1.170 -2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.868 3.465 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.444 2.737 -4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.784 -0.038 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.743 -0.341 -5.540 1.00 0.00 H new ATOM 1037 N GLY A 118 6.136 4.245 -1.951 1.00 0.00 N ATOM 1038 CA GLY A 118 4.720 4.593 -1.876 1.00 0.00 C ATOM 1039 C GLY A 118 3.857 3.474 -2.446 1.00 0.00 C ATOM 1040 O GLY A 118 4.059 3.027 -3.575 1.00 0.00 O ATOM 0 H GLY A 118 6.688 4.834 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.441 4.781 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.538 5.516 -2.427 1.00 0.00 H new ATOM 1044 N LEU A 119 2.889 3.028 -1.651 1.00 0.00 N ATOM 1045 CA LEU A 119 1.994 1.960 -2.085 1.00 0.00 C ATOM 1046 C LEU A 119 0.774 2.546 -2.788 1.00 0.00 C ATOM 1047 O LEU A 119 0.473 2.199 -3.930 1.00 0.00 O ATOM 1048 CB LEU A 119 1.531 1.128 -0.887 1.00 0.00 C ATOM 1049 CG LEU A 119 2.630 0.335 -0.173 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.033 -0.400 1.027 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.235 -0.681 -1.143 1.00 0.00 C ATOM 0 H LEU A 119 2.705 3.385 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 119 2.541 1.320 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.059 1.794 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.765 0.431 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 119 3.406 1.019 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.816 -0.964 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.601 0.323 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.256 -1.084 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.017 -1.246 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.458 -1.364 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.662 -0.158 -1.999 1.00 0.00 H new ATOM 1063 N ILE A 120 0.078 3.441 -2.093 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.109 4.078 -2.661 1.00 0.00 C ATOM 1065 C ILE A 120 -1.195 5.534 -2.213 1.00 0.00 C ATOM 1066 O ILE A 120 -0.756 5.889 -1.119 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.381 3.347 -2.220 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.236 1.847 -2.500 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.580 3.899 -2.998 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.454 1.101 -1.951 1.00 0.00 C ATOM 0 H ILE A 120 0.311 3.740 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.025 4.032 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.536 3.501 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.144 1.674 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.325 1.467 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.486 3.380 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.685 4.965 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.423 3.745 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.348 0.035 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.525 1.263 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.357 1.473 -2.435 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.771 6.371 -3.070 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.916 7.791 -2.754 1.00 0.00 C ATOM 1084 C LYS A 121 -3.304 8.067 -2.187 1.00 0.00 C ATOM 1085 O LYS A 121 -4.315 7.650 -2.751 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.705 8.647 -4.003 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.253 10.049 -3.590 1.00 0.00 C ATOM 1088 CD LYS A 121 -1.067 10.916 -4.837 1.00 0.00 C ATOM 1089 CE LYS A 121 0.315 10.654 -5.442 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.442 11.268 -6.795 1.00 0.00 N ATOM 0 H LYS A 121 -2.142 6.097 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.161 8.049 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.957 8.188 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.630 8.706 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.992 10.500 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.318 9.991 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.844 10.691 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.168 11.970 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.084 11.058 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.486 9.580 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.389 11.073 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.277 10.864 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.303 12.296 -6.724 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.340 8.776 -1.062 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.610 9.103 -0.421 1.00 0.00 C ATOM 1106 C ILE A 122 -4.938 10.580 -0.609 1.00 0.00 C ATOM 1107 O ILE A 122 -4.051 11.436 -0.603 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.551 8.789 1.078 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.053 7.348 1.292 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.944 8.952 1.694 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.999 6.348 0.613 1.00 0.00 C ATOM 0 H ILE A 122 -2.514 9.132 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.387 8.498 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.860 9.480 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.047 7.240 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.991 7.133 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.899 8.728 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.287 9.977 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.639 8.267 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.633 5.334 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.998 6.445 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.039 6.554 -0.457 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.224 10.870 -0.775 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.669 12.249 -0.965 1.00 0.00 C ATOM 1125 C GLY A 123 -7.912 12.535 -0.130 1.00 0.00 C ATOM 1126 O GLY A 123 -8.977 12.658 -0.712 1.00 0.00 O ATOM 1127 OXT GLY A 123 -7.781 12.629 1.080 1.00 0.00 O ATOM 0 H GLY A 123 -6.972 10.177 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.871 12.936 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.885 12.425 -2.019 1.00 0.00 H new