USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=8 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 -110:sc= -1.06 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0.0636 (180deg=-0.0167) 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= 0.0885 X(o=0.088,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.79) 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+ -119:sc= 0.0451 (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) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.155 9.827 -0.592 1.00 0.00 N ATOM 99 CA GLU A 56 1.168 8.376 -0.772 1.00 0.00 C ATOM 100 C GLU A 56 1.617 7.678 0.509 1.00 0.00 C ATOM 101 O GLU A 56 2.487 8.166 1.230 1.00 0.00 O ATOM 102 CB GLU A 56 2.117 7.984 -1.909 1.00 0.00 C ATOM 103 CG GLU A 56 1.770 8.784 -3.167 1.00 0.00 C ATOM 104 CD GLU A 56 2.942 8.736 -4.143 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.071 8.801 -3.686 1.00 0.00 O ATOM 106 OE2 GLU A 56 2.692 8.636 -5.333 1.00 0.00 O ATOM 0 HA GLU A 56 0.154 8.063 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.149 8.176 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.037 6.916 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.876 8.374 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.546 9.817 -2.903 1.00 0.00 H new ATOM 113 N ILE A 57 1.004 6.526 0.783 1.00 0.00 N ATOM 114 CA ILE A 57 1.338 5.759 1.981 1.00 0.00 C ATOM 115 C ILE A 57 2.616 4.942 1.752 1.00 0.00 C ATOM 116 O ILE A 57 2.699 4.176 0.793 1.00 0.00 O ATOM 117 CB ILE A 57 0.199 4.798 2.338 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.123 5.567 2.410 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.481 4.151 3.697 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.288 4.577 2.460 1.00 0.00 C ATOM 0 H ILE A 57 0.281 6.108 0.198 1.00 0.00 H new ATOM 0 HA ILE A 57 1.492 6.464 2.798 1.00 0.00 H new ATOM 0 HB ILE A 57 0.129 4.026 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.137 6.206 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.224 6.220 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.330 3.468 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.419 3.599 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.554 4.925 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.229 5.125 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.277 3.957 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.189 3.943 3.341 1.00 0.00 H new ATOM 132 N PRO A 58 3.626 5.086 2.626 1.00 0.00 N ATOM 133 CA PRO A 58 4.885 4.339 2.488 1.00 0.00 C ATOM 134 C PRO A 58 4.735 2.875 2.890 1.00 0.00 C ATOM 135 O PRO A 58 3.840 2.515 3.655 1.00 0.00 O ATOM 136 CB PRO A 58 5.844 5.055 3.436 1.00 0.00 C ATOM 137 CG PRO A 58 4.975 5.699 4.460 1.00 0.00 C ATOM 138 CD PRO A 58 3.647 5.967 3.808 1.00 0.00 C ATOM 0 HA PRO A 58 5.230 4.321 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.540 4.353 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.442 5.796 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.854 5.049 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.423 6.626 4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.822 5.743 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.550 7.015 3.523 1.00 0.00 H new ATOM 146 N ALA A 59 5.622 2.034 2.368 1.00 0.00 N ATOM 147 CA ALA A 59 5.579 0.608 2.680 1.00 0.00 C ATOM 148 C ALA A 59 6.327 0.327 3.987 1.00 0.00 C ATOM 149 O ALA A 59 7.348 0.955 4.269 1.00 0.00 O ATOM 150 CB ALA A 59 6.218 -0.205 1.553 1.00 0.00 C ATOM 0 H ALA A 59 6.372 2.310 1.734 1.00 0.00 H new ATOM 0 HA ALA A 59 4.534 0.316 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.178 -1.266 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.675 -0.029 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.257 0.099 1.429 1.00 0.00 H new ATOM 156 N PRO A 60 5.832 -0.616 4.801 1.00 0.00 N ATOM 157 CA PRO A 60 6.471 -0.963 6.078 1.00 0.00 C ATOM 158 C PRO A 60 7.753 -1.771 5.889 1.00 0.00 C ATOM 159 O PRO A 60 8.662 -1.722 6.719 1.00 0.00 O ATOM 160 CB PRO A 60 5.420 -1.799 6.802 1.00 0.00 C ATOM 161 CG PRO A 60 4.570 -2.380 5.723 1.00 0.00 C ATOM 162 CD PRO A 60 4.622 -1.426 4.563 1.00 0.00 C ATOM 0 HA PRO A 60 6.772 -0.071 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.884 -2.582 7.402 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.829 -1.185 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.937 -3.364 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.545 -2.512 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.682 -1.959 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.729 -0.802 4.522 1.00 0.00 H new ATOM 170 N LEU A 61 7.814 -2.515 4.788 1.00 0.00 N ATOM 171 CA LEU A 61 8.989 -3.333 4.499 1.00 0.00 C ATOM 172 C LEU A 61 8.997 -3.758 3.035 1.00 0.00 C ATOM 173 O LEU A 61 8.033 -3.533 2.303 1.00 0.00 O ATOM 174 CB LEU A 61 9.001 -4.582 5.381 1.00 0.00 C ATOM 175 CG LEU A 61 7.727 -5.430 5.335 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.867 -6.507 4.256 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.506 -6.099 6.694 1.00 0.00 C ATOM 0 H LEU A 61 7.074 -2.569 4.089 1.00 0.00 H new ATOM 0 HA LEU A 61 9.875 -2.733 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.844 -5.207 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.177 -4.276 6.412 1.00 0.00 H new ATOM 0 HG LEU A 61 6.876 -4.789 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.960 -7.110 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.022 -6.033 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.719 -7.146 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.599 -6.702 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.358 -6.738 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.404 -5.334 7.464 1.00 0.00 H new ATOM 189 N ALA A 62 10.098 -4.377 2.616 1.00 0.00 N ATOM 190 CA ALA A 62 10.226 -4.834 1.236 1.00 0.00 C ATOM 191 C ALA A 62 9.665 -6.245 1.086 1.00 0.00 C ATOM 192 O ALA A 62 10.333 -7.230 1.397 1.00 0.00 O ATOM 193 CB ALA A 62 11.694 -4.832 0.806 1.00 0.00 C ATOM 0 H ALA A 62 10.907 -4.572 3.206 1.00 0.00 H new ATOM 0 HA ALA A 62 9.661 -4.151 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.771 -5.175 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.094 -3.821 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.264 -5.498 1.454 1.00 0.00 H new ATOM 199 N GLY A 63 8.427 -6.328 0.606 1.00 0.00 N ATOM 200 CA GLY A 63 7.780 -7.624 0.417 1.00 0.00 C ATOM 201 C GLY A 63 7.194 -7.735 -0.987 1.00 0.00 C ATOM 202 O GLY A 63 7.762 -7.228 -1.954 1.00 0.00 O ATOM 0 H GLY A 63 7.857 -5.524 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.503 -8.424 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.990 -7.753 1.157 1.00 0.00 H new ATOM 206 N THR A 64 6.050 -8.405 -1.087 1.00 0.00 N ATOM 207 CA THR A 64 5.391 -8.577 -2.380 1.00 0.00 C ATOM 208 C THR A 64 3.887 -8.371 -2.243 1.00 0.00 C ATOM 209 O THR A 64 3.259 -8.869 -1.310 1.00 0.00 O ATOM 210 CB THR A 64 5.653 -9.980 -2.933 1.00 0.00 C ATOM 211 OG1 THR A 64 7.034 -10.289 -2.800 1.00 0.00 O ATOM 212 CG2 THR A 64 5.257 -10.031 -4.409 1.00 0.00 C ATOM 0 H THR A 64 5.564 -8.834 -0.299 1.00 0.00 H new ATOM 0 HA THR A 64 5.799 -7.835 -3.066 1.00 0.00 H new ATOM 0 HB THR A 64 5.062 -10.707 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.204 -11.188 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.444 -11.030 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.198 -9.794 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.846 -9.305 -4.969 1.00 0.00 H new ATOM 220 N VAL A 65 3.315 -7.631 -3.190 1.00 0.00 N ATOM 221 CA VAL A 65 1.879 -7.364 -3.171 1.00 0.00 C ATOM 222 C VAL A 65 1.102 -8.631 -3.515 1.00 0.00 C ATOM 223 O VAL A 65 1.342 -9.263 -4.543 1.00 0.00 O ATOM 224 CB VAL A 65 1.523 -6.266 -4.177 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.056 -5.870 -4.007 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.409 -5.041 -3.934 1.00 0.00 C ATOM 0 H VAL A 65 3.817 -7.210 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 65 1.609 -7.032 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 65 1.685 -6.639 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.195 -5.088 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.578 -6.739 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.106 -5.500 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.155 -4.260 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.248 -4.671 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.456 -5.319 -4.057 1.00 0.00 H new ATOM 236 N SER A 66 0.172 -8.997 -2.638 1.00 0.00 N ATOM 237 CA SER A 66 -0.633 -10.196 -2.854 1.00 0.00 C ATOM 238 C SER A 66 -1.996 -9.834 -3.437 1.00 0.00 C ATOM 239 O SER A 66 -2.374 -10.311 -4.507 1.00 0.00 O ATOM 240 CB SER A 66 -0.840 -10.946 -1.538 1.00 0.00 C ATOM 241 OG SER A 66 -1.011 -10.007 -0.484 1.00 0.00 O ATOM 0 H SER A 66 -0.042 -8.488 -1.780 1.00 0.00 H new ATOM 0 HA SER A 66 -0.097 -10.833 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.714 -11.594 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.017 -11.588 -1.333 1.00 0.00 H new ATOM 0 HG SER A 66 -0.226 -10.026 0.102 1.00 0.00 H new ATOM 247 N LYS A 67 -2.732 -8.990 -2.719 1.00 0.00 N ATOM 248 CA LYS A 67 -4.058 -8.577 -3.177 1.00 0.00 C ATOM 249 C LYS A 67 -4.378 -7.166 -2.697 1.00 0.00 C ATOM 250 O LYS A 67 -3.973 -6.756 -1.610 1.00 0.00 O ATOM 251 CB LYS A 67 -5.130 -9.535 -2.650 1.00 0.00 C ATOM 252 CG LYS A 67 -4.973 -9.705 -1.139 1.00 0.00 C ATOM 253 CD LYS A 67 -6.192 -10.442 -0.579 1.00 0.00 C ATOM 254 CE LYS A 67 -6.053 -11.940 -0.856 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.384 -12.584 -1.045 1.00 0.00 N ATOM 0 H LYS A 67 -2.440 -8.583 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.054 -8.597 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.122 -9.148 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.042 -10.502 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.064 -10.264 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.873 -8.730 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.276 -10.266 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.104 -10.059 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.444 -12.092 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.530 -12.418 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.255 -13.599 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.955 -12.459 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.871 -12.143 -1.851 1.00 0.00 H new ATOM 269 N ILE A 68 -5.119 -6.431 -3.523 1.00 0.00 N ATOM 270 CA ILE A 68 -5.501 -5.064 -3.180 1.00 0.00 C ATOM 271 C ILE A 68 -6.946 -5.029 -2.689 1.00 0.00 C ATOM 272 O ILE A 68 -7.825 -5.673 -3.262 1.00 0.00 O ATOM 273 CB ILE A 68 -5.363 -4.145 -4.397 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.958 -4.286 -4.989 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.588 -2.692 -3.972 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.951 -3.750 -6.422 1.00 0.00 C ATOM 0 H ILE A 68 -5.464 -6.755 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.837 -4.714 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.105 -4.425 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.239 -3.737 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.651 -5.332 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.489 -2.040 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.588 -2.587 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.847 -2.413 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.951 -3.850 -6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.658 -4.318 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.239 -2.699 -6.419 1.00 0.00 H new ATOM 288 N LEU A 69 -7.179 -4.274 -1.620 1.00 0.00 N ATOM 289 CA LEU A 69 -8.523 -4.166 -1.058 1.00 0.00 C ATOM 290 C LEU A 69 -9.191 -2.872 -1.511 1.00 0.00 C ATOM 291 O LEU A 69 -10.383 -2.849 -1.821 1.00 0.00 O ATOM 292 CB LEU A 69 -8.466 -4.189 0.470 1.00 0.00 C ATOM 293 CG LEU A 69 -8.225 -5.564 1.097 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.852 -5.396 2.571 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.499 -6.405 0.987 1.00 0.00 C ATOM 0 H LEU A 69 -6.466 -3.734 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.105 -5.017 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.674 -3.515 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.404 -3.791 0.858 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.412 -6.064 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.681 -6.376 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.945 -4.797 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.665 -4.895 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.328 -7.385 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.312 -5.904 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.765 -6.526 -0.063 1.00 0.00 H new ATOM 307 N VAL A 70 -8.414 -1.793 -1.545 1.00 0.00 N ATOM 308 CA VAL A 70 -8.949 -0.498 -1.961 1.00 0.00 C ATOM 309 C VAL A 70 -8.566 -0.199 -3.408 1.00 0.00 C ATOM 310 O VAL A 70 -7.436 -0.443 -3.831 1.00 0.00 O ATOM 311 CB VAL A 70 -8.425 0.621 -1.055 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.888 0.371 0.380 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.894 0.651 -1.094 1.00 0.00 C ATOM 0 H VAL A 70 -7.425 -1.787 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.035 -0.544 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.813 1.577 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.516 1.166 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.977 0.356 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.501 -0.588 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.529 1.449 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.502 -0.305 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.560 0.830 -2.116 1.00 0.00 H new ATOM 323 N LYS A 71 -9.523 0.335 -4.158 1.00 0.00 N ATOM 324 CA LYS A 71 -9.283 0.671 -5.557 1.00 0.00 C ATOM 325 C LYS A 71 -9.565 2.151 -5.795 1.00 0.00 C ATOM 326 O LYS A 71 -10.213 2.812 -4.985 1.00 0.00 O ATOM 327 CB LYS A 71 -10.179 -0.164 -6.474 1.00 0.00 C ATOM 328 CG LYS A 71 -11.641 0.003 -6.054 1.00 0.00 C ATOM 329 CD LYS A 71 -12.555 -0.412 -7.209 1.00 0.00 C ATOM 330 CE LYS A 71 -13.952 -0.723 -6.670 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.834 0.479 -6.721 1.00 0.00 N ATOM 0 H LYS A 71 -10.464 0.543 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.239 0.454 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.050 0.150 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.893 -1.214 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.850 -0.606 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.835 1.039 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.609 0.387 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.146 -1.287 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.398 -1.529 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.877 -1.078 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.181 0.696 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.295 1.290 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.642 0.290 -7.348 1.00 0.00 H new ATOM 345 N GLU A 72 -9.066 2.664 -6.916 1.00 0.00 N ATOM 346 CA GLU A 72 -9.268 4.072 -7.253 1.00 0.00 C ATOM 347 C GLU A 72 -10.756 4.384 -7.383 1.00 0.00 C ATOM 348 O GLU A 72 -11.394 4.037 -8.377 1.00 0.00 O ATOM 349 CB GLU A 72 -8.572 4.412 -8.573 1.00 0.00 C ATOM 350 CG GLU A 72 -7.061 4.228 -8.416 1.00 0.00 C ATOM 351 CD GLU A 72 -6.395 4.305 -9.785 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.660 5.258 -10.498 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.630 3.408 -10.101 1.00 0.00 O ATOM 0 H GLU A 72 -8.525 2.135 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.840 4.673 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.946 3.769 -9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.796 5.439 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.656 4.998 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.847 3.266 -7.949 1.00 0.00 H new ATOM 360 N GLY A 73 -11.301 5.043 -6.364 1.00 0.00 N ATOM 361 CA GLY A 73 -12.716 5.400 -6.369 1.00 0.00 C ATOM 362 C GLY A 73 -13.342 5.150 -5.001 1.00 0.00 C ATOM 363 O GLY A 73 -14.263 5.855 -4.586 1.00 0.00 O ATOM 0 H GLY A 73 -10.790 5.338 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.830 6.450 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.240 4.817 -7.126 1.00 0.00 H new ATOM 367 N ASP A 74 -12.832 4.138 -4.306 1.00 0.00 N ATOM 368 CA ASP A 74 -13.347 3.800 -2.982 1.00 0.00 C ATOM 369 C ASP A 74 -12.706 4.684 -1.916 1.00 0.00 C ATOM 370 O ASP A 74 -11.601 5.196 -2.096 1.00 0.00 O ATOM 371 CB ASP A 74 -13.055 2.334 -2.652 1.00 0.00 C ATOM 372 CG ASP A 74 -13.905 1.434 -3.542 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.038 1.799 -3.811 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.411 0.392 -3.942 1.00 0.00 O ATOM 0 H ASP A 74 -12.071 3.543 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.425 3.964 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.997 2.120 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.273 2.136 -1.602 1.00 0.00 H new ATOM 379 N THR A 75 -13.414 4.854 -0.804 1.00 0.00 N ATOM 380 CA THR A 75 -12.907 5.678 0.291 1.00 0.00 C ATOM 381 C THR A 75 -12.278 4.800 1.367 1.00 0.00 C ATOM 382 O THR A 75 -12.740 3.689 1.632 1.00 0.00 O ATOM 383 CB THR A 75 -14.040 6.496 0.915 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.823 7.081 -0.117 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.452 7.597 1.798 1.00 0.00 C ATOM 0 H THR A 75 -14.330 4.438 -0.637 1.00 0.00 H new ATOM 0 HA THR A 75 -12.154 6.353 -0.115 1.00 0.00 H new ATOM 0 HB THR A 75 -14.667 5.844 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.550 7.604 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.260 8.178 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.852 7.147 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.824 8.251 1.194 1.00 0.00 H new ATOM 393 N VAL A 76 -11.215 5.309 1.985 1.00 0.00 N ATOM 394 CA VAL A 76 -10.525 4.561 3.033 1.00 0.00 C ATOM 395 C VAL A 76 -10.532 5.344 4.341 1.00 0.00 C ATOM 396 O VAL A 76 -10.690 6.565 4.352 1.00 0.00 O ATOM 397 CB VAL A 76 -9.078 4.282 2.628 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.057 3.347 1.419 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.387 5.600 2.265 1.00 0.00 C ATOM 0 H VAL A 76 -10.816 6.226 1.782 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.051 3.617 3.172 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.553 3.812 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.025 3.148 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.549 2.409 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.582 3.816 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.355 5.402 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.913 6.070 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.401 6.267 3.127 1.00 0.00 H new ATOM 409 N LYS A 77 -10.357 4.624 5.446 1.00 0.00 N ATOM 410 CA LYS A 77 -10.340 5.256 6.761 1.00 0.00 C ATOM 411 C LYS A 77 -9.030 4.948 7.478 1.00 0.00 C ATOM 412 O LYS A 77 -8.411 3.909 7.251 1.00 0.00 O ATOM 413 CB LYS A 77 -11.507 4.753 7.613 1.00 0.00 C ATOM 414 CG LYS A 77 -12.725 5.650 7.393 1.00 0.00 C ATOM 415 CD LYS A 77 -13.949 5.028 8.071 1.00 0.00 C ATOM 416 CE LYS A 77 -15.166 5.926 7.850 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.425 5.130 7.789 1.00 0.00 N ATOM 0 H LYS A 77 -10.226 3.612 5.458 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.435 6.333 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.748 3.724 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.228 4.753 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.536 6.643 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.911 5.773 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.138 4.035 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.764 4.905 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.233 6.655 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.043 6.487 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.232 5.768 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.369 4.451 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.553 4.615 8.683 1.00 0.00 H new ATOM 431 N ALA A 78 -8.612 5.867 8.346 1.00 0.00 N ATOM 432 CA ALA A 78 -7.370 5.689 9.095 1.00 0.00 C ATOM 433 C ALA A 78 -7.426 4.418 9.938 1.00 0.00 C ATOM 434 O ALA A 78 -7.872 4.435 11.085 1.00 0.00 O ATOM 435 CB ALA A 78 -7.124 6.886 10.015 1.00 0.00 C ATOM 0 H ALA A 78 -9.110 6.734 8.547 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.555 5.609 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.195 6.737 10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.050 7.795 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.951 6.980 10.718 1.00 0.00 H new ATOM 441 N GLY A 79 -6.968 3.314 9.354 1.00 0.00 N ATOM 442 CA GLY A 79 -6.969 2.035 10.058 1.00 0.00 C ATOM 443 C GLY A 79 -7.521 0.924 9.169 1.00 0.00 C ATOM 444 O GLY A 79 -7.135 -0.239 9.294 1.00 0.00 O ATOM 0 H GLY A 79 -6.595 3.278 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.955 1.786 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.571 2.114 10.964 1.00 0.00 H new ATOM 448 N GLN A 80 -8.431 1.294 8.272 1.00 0.00 N ATOM 449 CA GLN A 80 -9.034 0.318 7.367 1.00 0.00 C ATOM 450 C GLN A 80 -7.970 -0.315 6.475 1.00 0.00 C ATOM 451 O GLN A 80 -7.030 0.348 6.036 1.00 0.00 O ATOM 452 CB GLN A 80 -10.088 0.988 6.484 1.00 0.00 C ATOM 453 CG GLN A 80 -10.903 -0.085 5.757 1.00 0.00 C ATOM 454 CD GLN A 80 -11.546 0.520 4.514 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.632 1.097 4.586 1.00 0.00 O ATOM 456 NE2 GLN A 80 -10.936 0.422 3.365 1.00 0.00 N ATOM 0 H GLN A 80 -8.764 2.250 8.152 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.505 -0.455 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.746 1.609 7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.607 1.646 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.259 -0.919 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.671 -0.484 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.037 -0.056 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.358 0.823 2.528 1.00 0.00 H new ATOM 465 N THR A 81 -8.134 -1.608 6.208 1.00 0.00 N ATOM 466 CA THR A 81 -7.187 -2.330 5.362 1.00 0.00 C ATOM 467 C THR A 81 -7.265 -1.815 3.930 1.00 0.00 C ATOM 468 O THR A 81 -8.345 -1.518 3.420 1.00 0.00 O ATOM 469 CB THR A 81 -7.492 -3.828 5.374 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.897 -4.216 6.679 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.240 -4.609 4.972 1.00 0.00 C ATOM 0 H THR A 81 -8.906 -2.173 6.561 1.00 0.00 H new ATOM 0 HA THR A 81 -6.184 -2.165 5.756 1.00 0.00 H new ATOM 0 HB THR A 81 -8.293 -4.042 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.095 -5.176 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.459 -5.677 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.931 -4.310 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.437 -4.397 5.678 1.00 0.00 H new ATOM 479 N VAL A 82 -6.105 -1.702 3.290 1.00 0.00 N ATOM 480 CA VAL A 82 -6.056 -1.207 1.915 1.00 0.00 C ATOM 481 C VAL A 82 -5.409 -2.224 0.972 1.00 0.00 C ATOM 482 O VAL A 82 -5.763 -2.301 -0.204 1.00 0.00 O ATOM 483 CB VAL A 82 -5.279 0.115 1.846 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.966 1.152 2.737 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.835 -0.095 2.325 1.00 0.00 C ATOM 0 H VAL A 82 -5.199 -1.942 3.692 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.085 -1.044 1.594 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.263 0.467 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.417 2.092 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.987 1.310 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.984 0.793 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.293 0.849 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.842 -0.452 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.344 -0.831 1.689 1.00 0.00 H new ATOM 495 N LEU A 83 -4.451 -2.993 1.485 1.00 0.00 N ATOM 496 CA LEU A 83 -3.771 -3.979 0.645 1.00 0.00 C ATOM 497 C LEU A 83 -3.068 -5.040 1.484 1.00 0.00 C ATOM 498 O LEU A 83 -2.660 -4.793 2.619 1.00 0.00 O ATOM 499 CB LEU A 83 -2.737 -3.283 -0.242 1.00 0.00 C ATOM 500 CG LEU A 83 -1.922 -4.204 -1.158 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.643 -3.494 -2.486 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.592 -4.555 -0.483 1.00 0.00 C ATOM 0 H LEU A 83 -4.133 -2.956 2.453 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.528 -4.467 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.252 -2.548 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.047 -2.734 0.398 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.489 -5.116 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.064 -4.151 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.587 -3.245 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.079 -2.580 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.014 -5.210 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.028 -3.642 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.786 -5.064 0.461 1.00 0.00 H new ATOM 514 N VAL A 84 -2.921 -6.225 0.895 1.00 0.00 N ATOM 515 CA VAL A 84 -2.255 -7.337 1.570 1.00 0.00 C ATOM 516 C VAL A 84 -0.849 -7.514 1.002 1.00 0.00 C ATOM 517 O VAL A 84 -0.643 -7.435 -0.209 1.00 0.00 O ATOM 518 CB VAL A 84 -3.039 -8.635 1.369 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.439 -9.737 2.243 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.504 -8.417 1.760 1.00 0.00 C ATOM 0 H VAL A 84 -3.253 -6.440 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.203 -7.112 2.635 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.983 -8.930 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.999 -10.661 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.397 -9.896 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.493 -9.440 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.061 -9.343 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.561 -8.119 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.935 -7.634 1.136 1.00 0.00 H new ATOM 530 N LEU A 85 0.116 -7.750 1.885 1.00 0.00 N ATOM 531 CA LEU A 85 1.498 -7.930 1.449 1.00 0.00 C ATOM 532 C LEU A 85 2.023 -9.298 1.875 1.00 0.00 C ATOM 533 O LEU A 85 1.426 -9.978 2.709 1.00 0.00 O ATOM 534 CB LEU A 85 2.391 -6.833 2.042 1.00 0.00 C ATOM 535 CG LEU A 85 3.406 -6.222 1.074 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.708 -5.186 0.190 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.523 -5.544 1.870 1.00 0.00 C ATOM 0 H LEU A 85 -0.028 -7.821 2.892 1.00 0.00 H new ATOM 0 HA LEU A 85 1.521 -7.865 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.754 -6.036 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.930 -7.247 2.894 1.00 0.00 H new ATOM 0 HG LEU A 85 3.830 -7.007 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.431 -4.750 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.911 -5.668 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.284 -4.400 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.247 -5.108 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.099 -4.759 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.020 -6.282 2.500 1.00 0.00 H new ATOM 549 N GLU A 86 3.150 -9.693 1.289 1.00 0.00 N ATOM 550 CA GLU A 86 3.754 -10.983 1.610 1.00 0.00 C ATOM 551 C GLU A 86 5.268 -10.847 1.733 1.00 0.00 C ATOM 552 O GLU A 86 5.950 -10.454 0.785 1.00 0.00 O ATOM 553 CB GLU A 86 3.432 -12.012 0.525 1.00 0.00 C ATOM 554 CG GLU A 86 3.327 -13.403 1.156 1.00 0.00 C ATOM 555 CD GLU A 86 2.405 -14.277 0.311 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.495 -14.197 -0.903 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.624 -15.013 0.891 1.00 0.00 O ATOM 0 H GLU A 86 3.659 -9.145 0.596 1.00 0.00 H new ATOM 0 HA GLU A 86 3.341 -11.319 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.496 -11.754 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.209 -12.005 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.315 -13.858 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.941 -13.325 2.172 1.00 0.00 H new ATOM 630 N GLU A 91 2.087 -13.437 5.206 1.00 0.00 N ATOM 631 CA GLU A 91 1.214 -12.400 4.662 1.00 0.00 C ATOM 632 C GLU A 91 0.975 -11.311 5.702 1.00 0.00 C ATOM 633 O GLU A 91 0.628 -11.593 6.850 1.00 0.00 O ATOM 634 CB GLU A 91 -0.131 -12.998 4.245 1.00 0.00 C ATOM 635 CG GLU A 91 0.020 -13.703 2.897 1.00 0.00 C ATOM 636 CD GLU A 91 -1.270 -14.445 2.563 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.299 -13.796 2.476 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.211 -15.653 2.399 1.00 0.00 O ATOM 0 HA GLU A 91 1.703 -11.968 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.477 -13.704 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.884 -12.213 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.246 -12.975 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.855 -14.402 2.932 1.00 0.00 H new ATOM 645 N THR A 92 1.164 -10.061 5.288 1.00 0.00 N ATOM 646 CA THR A 92 0.967 -8.932 6.191 1.00 0.00 C ATOM 647 C THR A 92 -0.086 -7.982 5.631 1.00 0.00 C ATOM 648 O THR A 92 -0.021 -7.573 4.472 1.00 0.00 O ATOM 649 CB THR A 92 2.278 -8.166 6.385 1.00 0.00 C ATOM 650 OG1 THR A 92 3.352 -9.091 6.499 1.00 0.00 O ATOM 651 CG2 THR A 92 2.194 -7.322 7.658 1.00 0.00 C ATOM 0 H THR A 92 1.450 -9.806 4.343 1.00 0.00 H new ATOM 0 HA THR A 92 0.631 -9.323 7.151 1.00 0.00 H new ATOM 0 HB THR A 92 2.448 -7.513 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.193 -8.603 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.128 -6.777 7.795 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.370 -6.614 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.024 -7.973 8.516 1.00 0.00 H new ATOM 659 N GLU A 93 -1.059 -7.639 6.469 1.00 0.00 N ATOM 660 CA GLU A 93 -2.127 -6.737 6.050 1.00 0.00 C ATOM 661 C GLU A 93 -1.692 -5.284 6.204 1.00 0.00 C ATOM 662 O GLU A 93 -1.070 -4.908 7.198 1.00 0.00 O ATOM 663 CB GLU A 93 -3.385 -6.973 6.889 1.00 0.00 C ATOM 664 CG GLU A 93 -4.265 -8.024 6.208 1.00 0.00 C ATOM 665 CD GLU A 93 -5.731 -7.721 6.492 1.00 0.00 C ATOM 666 OE1 GLU A 93 -6.045 -7.429 7.634 1.00 0.00 O ATOM 667 OE2 GLU A 93 -6.520 -7.785 5.563 1.00 0.00 O ATOM 0 H GLU A 93 -1.131 -7.967 7.432 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.346 -6.939 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.110 -7.307 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.938 -6.041 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.084 -8.024 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.011 -9.019 6.574 1.00 0.00 H new ATOM 674 N ILE A 94 -2.031 -4.470 5.208 1.00 0.00 N ATOM 675 CA ILE A 94 -1.676 -3.054 5.237 1.00 0.00 C ATOM 676 C ILE A 94 -2.896 -2.216 5.602 1.00 0.00 C ATOM 677 O ILE A 94 -4.032 -2.590 5.311 1.00 0.00 O ATOM 678 CB ILE A 94 -1.148 -2.603 3.872 1.00 0.00 C ATOM 679 CG1 ILE A 94 -0.030 -3.550 3.404 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.605 -1.174 3.977 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.132 -3.547 4.406 1.00 0.00 C ATOM 0 H ILE A 94 -2.546 -4.763 4.378 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.897 -2.914 5.986 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.962 -2.628 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.423 -4.561 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.328 -3.242 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.230 -0.855 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.403 -0.504 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.205 -1.145 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.914 -4.223 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.536 -2.538 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.773 -3.878 5.380 1.00 0.00 H new ATOM 693 N ASN A 95 -2.650 -1.077 6.243 1.00 0.00 N ATOM 694 CA ASN A 95 -3.739 -0.191 6.644 1.00 0.00 C ATOM 695 C ASN A 95 -3.370 1.263 6.377 1.00 0.00 C ATOM 696 O ASN A 95 -2.224 1.673 6.558 1.00 0.00 O ATOM 697 CB ASN A 95 -4.048 -0.361 8.133 1.00 0.00 C ATOM 698 CG ASN A 95 -2.771 -0.168 8.943 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.896 -1.033 8.950 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.610 0.928 9.632 1.00 0.00 N ATOM 0 H ASN A 95 -1.718 -0.748 6.494 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.619 -0.456 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.801 0.363 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.463 -1.352 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.759 1.068 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.335 1.645 9.626 1.00 0.00 H new ATOM 707 N ALA A 96 -4.360 2.038 5.941 1.00 0.00 N ATOM 708 CA ALA A 96 -4.135 3.451 5.648 1.00 0.00 C ATOM 709 C ALA A 96 -3.704 4.195 6.917 1.00 0.00 C ATOM 710 O ALA A 96 -4.237 3.944 7.998 1.00 0.00 O ATOM 711 CB ALA A 96 -5.415 4.087 5.103 1.00 0.00 C ATOM 0 H ALA A 96 -5.315 1.716 5.784 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.345 3.525 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.235 5.140 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.714 3.576 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.209 3.998 5.844 1.00 0.00 H new ATOM 717 N PRO A 97 -2.740 5.121 6.805 1.00 0.00 N ATOM 718 CA PRO A 97 -2.258 5.891 7.963 1.00 0.00 C ATOM 719 C PRO A 97 -3.271 6.937 8.418 1.00 0.00 C ATOM 720 O PRO A 97 -3.350 7.276 9.599 1.00 0.00 O ATOM 721 CB PRO A 97 -0.987 6.566 7.452 1.00 0.00 C ATOM 722 CG PRO A 97 -1.160 6.657 5.976 1.00 0.00 C ATOM 723 CD PRO A 97 -2.034 5.505 5.568 1.00 0.00 C ATOM 0 HA PRO A 97 -2.090 5.254 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.860 7.554 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.102 5.985 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.618 7.606 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.196 6.608 5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.734 5.796 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.443 4.678 5.175 1.00 0.00 H new ATOM 731 N THR A 98 -4.046 7.440 7.463 1.00 0.00 N ATOM 732 CA THR A 98 -5.059 8.447 7.763 1.00 0.00 C ATOM 733 C THR A 98 -6.261 8.276 6.840 1.00 0.00 C ATOM 734 O THR A 98 -6.175 7.617 5.803 1.00 0.00 O ATOM 735 CB THR A 98 -4.488 9.856 7.581 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.698 9.894 6.400 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.623 10.219 8.788 1.00 0.00 C ATOM 0 H THR A 98 -3.994 7.170 6.481 1.00 0.00 H new ATOM 0 HA THR A 98 -5.370 8.315 8.799 1.00 0.00 H new ATOM 0 HB THR A 98 -5.305 10.572 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.332 10.795 6.280 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.218 11.222 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.230 10.189 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.804 9.505 8.876 1.00 0.00 H new ATOM 745 N ASP A 99 -7.383 8.877 7.224 1.00 0.00 N ATOM 746 CA ASP A 99 -8.597 8.780 6.417 1.00 0.00 C ATOM 747 C ASP A 99 -8.416 9.522 5.097 1.00 0.00 C ATOM 748 O ASP A 99 -7.705 10.525 5.021 1.00 0.00 O ATOM 749 CB ASP A 99 -9.803 9.362 7.165 1.00 0.00 C ATOM 750 CG ASP A 99 -9.460 10.738 7.730 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.669 11.433 7.115 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.996 11.077 8.772 1.00 0.00 O ATOM 0 H ASP A 99 -7.478 9.429 8.076 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.782 7.724 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.655 9.440 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.097 8.692 7.973 1.00 0.00 H new ATOM 757 N GLY A 100 -9.066 9.015 4.053 1.00 0.00 N ATOM 758 CA GLY A 100 -8.969 9.634 2.735 1.00 0.00 C ATOM 759 C GLY A 100 -9.591 8.741 1.668 1.00 0.00 C ATOM 760 O GLY A 100 -10.395 7.859 1.967 1.00 0.00 O ATOM 0 H GLY A 100 -9.659 8.186 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.473 10.601 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.923 9.822 2.493 1.00 0.00 H new ATOM 764 N LYS A 101 -9.210 8.983 0.415 1.00 0.00 N ATOM 765 CA LYS A 101 -9.737 8.196 -0.697 1.00 0.00 C ATOM 766 C LYS A 101 -8.613 7.805 -1.654 1.00 0.00 C ATOM 767 O LYS A 101 -7.692 8.582 -1.903 1.00 0.00 O ATOM 768 CB LYS A 101 -10.790 8.998 -1.467 1.00 0.00 C ATOM 769 CG LYS A 101 -11.474 8.092 -2.493 1.00 0.00 C ATOM 770 CD LYS A 101 -12.219 8.951 -3.517 1.00 0.00 C ATOM 771 CE LYS A 101 -13.426 9.614 -2.849 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.702 10.956 -3.436 1.00 0.00 N ATOM 0 H LYS A 101 -8.546 9.709 0.147 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.194 7.296 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.529 9.405 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.322 9.845 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.733 7.469 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.170 7.419 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.552 9.711 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.547 8.335 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.303 8.977 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.243 9.714 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.525 11.379 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.873 11.570 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.900 10.856 -4.452 1.00 0.00 H new ATOM 786 N VAL A 102 -8.707 6.593 -2.192 1.00 0.00 N ATOM 787 CA VAL A 102 -7.699 6.103 -3.128 1.00 0.00 C ATOM 788 C VAL A 102 -7.890 6.763 -4.489 1.00 0.00 C ATOM 789 O VAL A 102 -8.877 6.516 -5.181 1.00 0.00 O ATOM 790 CB VAL A 102 -7.809 4.583 -3.283 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.641 4.063 -4.123 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.770 3.924 -1.902 1.00 0.00 C ATOM 0 H VAL A 102 -9.463 5.937 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.713 6.352 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.749 4.341 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.723 2.981 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.666 4.529 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.700 4.308 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.848 2.842 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.831 4.171 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.603 4.289 -1.301 1.00 0.00 H new ATOM 802 N GLU A 103 -6.939 7.615 -4.863 1.00 0.00 N ATOM 803 CA GLU A 103 -7.020 8.316 -6.142 1.00 0.00 C ATOM 804 C GLU A 103 -6.190 7.603 -7.205 1.00 0.00 C ATOM 805 O GLU A 103 -6.521 7.632 -8.390 1.00 0.00 O ATOM 806 CB GLU A 103 -6.524 9.757 -6.001 1.00 0.00 C ATOM 807 CG GLU A 103 -5.122 9.767 -5.388 1.00 0.00 C ATOM 808 CD GLU A 103 -4.519 11.161 -5.523 1.00 0.00 C ATOM 809 OE1 GLU A 103 -5.263 12.121 -5.407 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.321 11.249 -5.738 1.00 0.00 O ATOM 0 H GLU A 103 -6.113 7.835 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.066 8.322 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.507 10.242 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.209 10.327 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.171 9.480 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.489 9.035 -5.889 1.00 0.00 H new ATOM 817 N LYS A 104 -5.107 6.964 -6.772 1.00 0.00 N ATOM 818 CA LYS A 104 -4.240 6.251 -7.704 1.00 0.00 C ATOM 819 C LYS A 104 -3.356 5.253 -6.965 1.00 0.00 C ATOM 820 O LYS A 104 -2.725 5.583 -5.960 1.00 0.00 O ATOM 821 CB LYS A 104 -3.349 7.234 -8.466 1.00 0.00 C ATOM 822 CG LYS A 104 -2.995 6.648 -9.835 1.00 0.00 C ATOM 823 CD LYS A 104 -1.764 5.749 -9.704 1.00 0.00 C ATOM 824 CE LYS A 104 -0.915 5.855 -10.973 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.238 4.564 -11.284 1.00 0.00 N ATOM 0 H LYS A 104 -4.812 6.925 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.878 5.716 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.863 8.187 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.440 7.433 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.836 6.076 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.798 7.451 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.176 6.044 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.071 4.715 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.547 6.148 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.168 6.639 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.793 4.700 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.503 3.853 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.531 4.237 -12.227 1.00 0.00 H new ATOM 839 N VAL A 105 -3.311 4.028 -7.480 1.00 0.00 N ATOM 840 CA VAL A 105 -2.496 2.982 -6.870 1.00 0.00 C ATOM 841 C VAL A 105 -1.216 2.783 -7.677 1.00 0.00 C ATOM 842 O VAL A 105 -1.256 2.525 -8.879 1.00 0.00 O ATOM 843 CB VAL A 105 -3.265 1.661 -6.814 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.466 0.637 -6.006 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.624 1.889 -6.146 1.00 0.00 C ATOM 0 H VAL A 105 -3.825 3.736 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.248 3.291 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.415 1.287 -7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.015 -0.304 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.499 0.473 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.314 1.011 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.172 0.948 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.473 2.265 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.195 2.617 -6.722 1.00 0.00 H new ATOM 855 N LEU A 106 -0.079 2.915 -7.001 1.00 0.00 N ATOM 856 CA LEU A 106 1.212 2.757 -7.664 1.00 0.00 C ATOM 857 C LEU A 106 1.595 1.284 -7.770 1.00 0.00 C ATOM 858 O LEU A 106 2.295 0.877 -8.696 1.00 0.00 O ATOM 859 CB LEU A 106 2.302 3.498 -6.890 1.00 0.00 C ATOM 860 CG LEU A 106 1.975 4.948 -6.525 1.00 0.00 C ATOM 861 CD1 LEU A 106 3.088 5.516 -5.644 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.862 5.780 -7.805 1.00 0.00 C ATOM 0 H LEU A 106 -0.024 3.129 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 106 1.122 3.176 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.511 2.948 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.217 3.487 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 106 1.030 4.983 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.855 6.549 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.170 4.922 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.033 5.483 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.629 6.813 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.807 5.745 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.069 5.375 -8.433 1.00 0.00 H new ATOM 874 N VAL A 107 1.136 0.489 -6.807 1.00 0.00 N ATOM 875 CA VAL A 107 1.446 -0.938 -6.803 1.00 0.00 C ATOM 876 C VAL A 107 0.318 -1.743 -7.443 1.00 0.00 C ATOM 877 O VAL A 107 -0.823 -1.288 -7.526 1.00 0.00 O ATOM 878 CB VAL A 107 1.665 -1.431 -5.370 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.870 -0.710 -4.765 1.00 0.00 C ATOM 880 CG2 VAL A 107 0.419 -1.136 -4.526 1.00 0.00 C ATOM 0 H VAL A 107 0.556 0.803 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 107 2.358 -1.082 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 107 1.847 -2.506 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.028 -1.059 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.757 -0.920 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.685 0.364 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.578 -1.488 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.234 -0.062 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.442 -1.648 -4.956 1.00 0.00 H new ATOM 890 N LYS A 108 0.655 -2.950 -7.888 1.00 0.00 N ATOM 891 CA LYS A 108 -0.329 -3.828 -8.515 1.00 0.00 C ATOM 892 C LYS A 108 -0.241 -5.228 -7.917 1.00 0.00 C ATOM 893 O LYS A 108 0.745 -5.579 -7.268 1.00 0.00 O ATOM 894 CB LYS A 108 -0.088 -3.916 -10.025 1.00 0.00 C ATOM 895 CG LYS A 108 -0.024 -2.507 -10.618 1.00 0.00 C ATOM 896 CD LYS A 108 0.489 -2.583 -12.058 1.00 0.00 C ATOM 897 CE LYS A 108 1.326 -1.341 -12.369 1.00 0.00 C ATOM 898 NZ LYS A 108 1.790 -1.339 -13.786 1.00 0.00 N ATOM 0 H LYS A 108 1.595 -3.341 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.319 -3.411 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.842 -4.448 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.888 -4.485 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.012 -2.046 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.634 -1.878 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.090 -3.482 -12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.350 -2.652 -12.751 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.736 -0.445 -12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.188 -1.305 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.355 -0.484 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.373 -2.182 -13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.966 -1.349 -14.421 1.00 0.00 H new ATOM 912 N GLU A 109 -1.282 -6.027 -8.141 1.00 0.00 N ATOM 913 CA GLU A 109 -1.310 -7.391 -7.617 1.00 0.00 C ATOM 914 C GLU A 109 -0.149 -8.206 -8.182 1.00 0.00 C ATOM 915 O GLU A 109 0.209 -8.074 -9.351 1.00 0.00 O ATOM 916 CB GLU A 109 -2.627 -8.078 -7.985 1.00 0.00 C ATOM 917 CG GLU A 109 -3.781 -7.398 -7.248 1.00 0.00 C ATOM 918 CD GLU A 109 -5.071 -7.585 -8.040 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.053 -7.336 -9.233 1.00 0.00 O ATOM 920 OE2 GLU A 109 -6.059 -7.977 -7.439 1.00 0.00 O ATOM 0 H GLU A 109 -2.108 -5.758 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.219 -7.336 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.788 -8.026 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.585 -9.134 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.890 -7.823 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.570 -6.336 -7.121 1.00 0.00 H new ATOM 927 N ARG A 110 0.433 -9.049 -7.333 1.00 0.00 N ATOM 928 CA ARG A 110 1.556 -9.887 -7.751 1.00 0.00 C ATOM 929 C ARG A 110 2.735 -9.019 -8.185 1.00 0.00 C ATOM 930 O ARG A 110 3.435 -9.326 -9.151 1.00 0.00 O ATOM 931 CB ARG A 110 1.145 -10.801 -8.908 1.00 0.00 C ATOM 932 CG ARG A 110 0.612 -12.121 -8.349 1.00 0.00 C ATOM 933 CD ARG A 110 -0.904 -12.026 -8.168 1.00 0.00 C ATOM 934 NE ARG A 110 -1.373 -13.030 -7.218 1.00 0.00 N ATOM 935 CZ ARG A 110 -2.670 -13.298 -7.088 1.00 0.00 C ATOM 936 NH1 ARG A 110 -3.411 -13.461 -8.150 1.00 0.00 N ATOM 937 NH2 ARG A 110 -3.199 -13.398 -5.900 1.00 0.00 N ATOM 0 H ARG A 110 0.150 -9.170 -6.361 1.00 0.00 H new ATOM 0 HA ARG A 110 1.854 -10.501 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.381 -10.316 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.999 -10.988 -9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.857 -12.940 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.089 -12.343 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.172 -11.030 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.400 -12.167 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.696 -13.534 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.996 -13.383 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.405 -13.666 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.619 -13.271 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.193 -13.603 -5.800 1.00 0.00 H new ATOM 951 N ASP A 111 2.949 -7.928 -7.456 1.00 0.00 N ATOM 952 CA ASP A 111 4.046 -7.017 -7.765 1.00 0.00 C ATOM 953 C ASP A 111 4.948 -6.842 -6.548 1.00 0.00 C ATOM 954 O ASP A 111 4.505 -6.958 -5.406 1.00 0.00 O ATOM 955 CB ASP A 111 3.505 -5.649 -8.185 1.00 0.00 C ATOM 956 CG ASP A 111 4.618 -4.842 -8.845 1.00 0.00 C ATOM 957 OD1 ASP A 111 4.785 -4.971 -10.047 1.00 0.00 O ATOM 958 OD2 ASP A 111 5.288 -4.105 -8.139 1.00 0.00 O ATOM 0 H ASP A 111 2.382 -7.655 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 111 4.620 -7.446 -8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.672 -5.773 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.121 -5.115 -7.316 1.00 0.00 H new ATOM 963 N ALA A 112 6.223 -6.564 -6.806 1.00 0.00 N ATOM 964 CA ALA A 112 7.185 -6.376 -5.723 1.00 0.00 C ATOM 965 C ALA A 112 7.248 -4.907 -5.314 1.00 0.00 C ATOM 966 O ALA A 112 7.138 -4.009 -6.149 1.00 0.00 O ATOM 967 CB ALA A 112 8.578 -6.832 -6.161 1.00 0.00 C ATOM 0 H ALA A 112 6.611 -6.465 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 112 6.857 -6.975 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.283 -6.685 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.548 -7.888 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.897 -6.248 -7.024 1.00 0.00 H new ATOM 973 N VAL A 113 7.432 -4.675 -4.018 1.00 0.00 N ATOM 974 CA VAL A 113 7.514 -3.310 -3.503 1.00 0.00 C ATOM 975 C VAL A 113 8.789 -3.127 -2.683 1.00 0.00 C ATOM 976 O VAL A 113 9.579 -4.059 -2.521 1.00 0.00 O ATOM 977 CB VAL A 113 6.295 -2.983 -2.630 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.023 -3.108 -3.470 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.220 -3.953 -1.443 1.00 0.00 C ATOM 0 H VAL A 113 7.526 -5.404 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 113 7.531 -2.630 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 113 6.390 -1.965 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.155 -2.876 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.070 -2.411 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.937 -4.126 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.351 -3.712 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.131 -4.974 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.125 -3.863 -0.842 1.00 0.00 H new ATOM 989 N GLN A 114 8.982 -1.917 -2.167 1.00 0.00 N ATOM 990 CA GLN A 114 10.165 -1.625 -1.364 1.00 0.00 C ATOM 991 C GLN A 114 9.764 -0.953 -0.055 1.00 0.00 C ATOM 992 O GLN A 114 8.861 -0.118 -0.020 1.00 0.00 O ATOM 993 CB GLN A 114 11.118 -0.706 -2.130 1.00 0.00 C ATOM 994 CG GLN A 114 11.710 -1.464 -3.320 1.00 0.00 C ATOM 995 CD GLN A 114 12.735 -0.584 -4.026 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.538 -0.191 -5.177 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.831 -0.249 -3.402 1.00 0.00 N ATOM 0 H GLN A 114 8.343 -1.131 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 114 10.669 -2.567 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.586 0.180 -2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.915 -0.361 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.180 -2.386 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.919 -1.747 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.995 -0.574 -2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.524 0.338 -3.867 1.00 0.00 H new ATOM 1006 N GLY A 115 10.449 -1.329 1.022 1.00 0.00 N ATOM 1007 CA GLY A 115 10.160 -0.763 2.337 1.00 0.00 C ATOM 1008 C GLY A 115 10.328 0.752 2.328 1.00 0.00 C ATOM 1009 O GLY A 115 11.445 1.268 2.305 1.00 0.00 O ATOM 0 H GLY A 115 11.202 -2.017 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.142 -1.018 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.826 -1.202 3.080 1.00 0.00 H new ATOM 1013 N GLY A 116 9.202 1.459 2.347 1.00 0.00 N ATOM 1014 CA GLY A 116 9.231 2.918 2.341 1.00 0.00 C ATOM 1015 C GLY A 116 8.593 3.468 1.070 1.00 0.00 C ATOM 1016 O GLY A 116 8.005 4.549 1.072 1.00 0.00 O ATOM 0 H GLY A 116 8.267 1.051 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.701 3.300 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.261 3.266 2.416 1.00 0.00 H new ATOM 1020 N GLN A 117 8.714 2.709 -0.018 1.00 0.00 N ATOM 1021 CA GLN A 117 8.147 3.127 -1.300 1.00 0.00 C ATOM 1022 C GLN A 117 6.641 3.346 -1.180 1.00 0.00 C ATOM 1023 O GLN A 117 5.940 2.592 -0.506 1.00 0.00 O ATOM 1024 CB GLN A 117 8.408 2.068 -2.373 1.00 0.00 C ATOM 1025 CG GLN A 117 8.023 2.623 -3.745 1.00 0.00 C ATOM 1026 CD GLN A 117 8.676 1.780 -4.836 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.775 2.092 -5.296 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.058 0.722 -5.283 1.00 0.00 N ATOM 0 H GLN A 117 9.195 1.810 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 117 8.627 4.063 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.460 1.781 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.831 1.168 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.939 2.613 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.343 3.661 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.148 0.464 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.485 0.153 -6.014 1.00 0.00 H new ATOM 1037 N GLY A 118 6.153 4.391 -1.847 1.00 0.00 N ATOM 1038 CA GLY A 118 4.726 4.706 -1.813 1.00 0.00 C ATOM 1039 C GLY A 118 3.906 3.552 -2.380 1.00 0.00 C ATOM 1040 O GLY A 118 4.124 3.114 -3.510 1.00 0.00 O ATOM 0 H GLY A 118 6.717 5.027 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.417 4.908 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.535 5.612 -2.388 1.00 0.00 H new ATOM 1044 N LEU A 119 2.965 3.059 -1.581 1.00 0.00 N ATOM 1045 CA LEU A 119 2.122 1.947 -2.010 1.00 0.00 C ATOM 1046 C LEU A 119 0.861 2.457 -2.702 1.00 0.00 C ATOM 1047 O LEU A 119 0.507 2.004 -3.790 1.00 0.00 O ATOM 1048 CB LEU A 119 1.718 1.087 -0.811 1.00 0.00 C ATOM 1049 CG LEU A 119 2.867 0.359 -0.109 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.358 -0.267 1.191 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.408 -0.742 -1.025 1.00 0.00 C ATOM 0 H LEU A 119 2.768 3.407 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 119 2.699 1.346 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.214 1.723 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.991 0.347 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 119 3.662 1.070 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.177 -0.785 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.971 0.515 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.563 -0.978 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.226 -1.261 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.612 -1.452 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.771 -0.298 -1.952 1.00 0.00 H new ATOM 1063 N ILE A 120 0.182 3.406 -2.060 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.042 3.966 -2.627 1.00 0.00 C ATOM 1065 C ILE A 120 -1.127 5.464 -2.346 1.00 0.00 C ATOM 1066 O ILE A 120 -0.565 5.960 -1.370 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.276 3.277 -2.033 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.131 1.757 -2.172 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.532 3.739 -2.781 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.296 1.061 -1.467 1.00 0.00 C ATOM 0 H ILE A 120 0.454 3.799 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.017 3.799 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.364 3.540 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.113 1.479 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.185 1.431 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.409 3.248 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.638 4.819 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.444 3.478 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.189 -0.019 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.294 1.329 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.236 1.377 -1.919 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.841 6.175 -3.215 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.003 7.618 -3.057 1.00 0.00 C ATOM 1084 C LYS A 121 -3.338 7.932 -2.390 1.00 0.00 C ATOM 1085 O LYS A 121 -4.397 7.511 -2.857 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.950 8.313 -4.419 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.319 9.699 -4.265 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.609 10.085 -5.564 1.00 0.00 C ATOM 1089 CE LYS A 121 0.236 11.338 -5.333 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.866 11.811 -6.598 1.00 0.00 N ATOM 0 H LYS A 121 -2.313 5.780 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.189 7.984 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.370 7.714 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.955 8.404 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.087 10.435 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.610 9.697 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.024 9.264 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.341 10.268 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.389 12.129 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.011 11.125 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.432 12.662 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.481 11.064 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.125 12.037 -7.292 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.277 8.678 -1.290 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.488 9.043 -0.563 1.00 0.00 C ATOM 1106 C ILE A 122 -4.796 10.526 -0.753 1.00 0.00 C ATOM 1107 O ILE A 122 -3.898 11.367 -0.759 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.328 8.751 0.932 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.867 7.297 1.128 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.663 8.974 1.651 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.905 6.324 0.555 1.00 0.00 C ATOM 0 H ILE A 122 -2.412 9.038 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.310 8.447 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.581 9.425 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.906 7.144 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.718 7.096 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.543 8.765 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.979 10.009 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.417 8.307 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.563 5.299 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.857 6.466 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.033 6.515 -0.511 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.081 10.830 -0.907 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.509 12.214 -1.096 1.00 0.00 C ATOM 1125 C GLY A 123 -5.914 12.799 -2.372 1.00 0.00 C ATOM 1126 O GLY A 123 -6.358 13.862 -2.776 1.00 0.00 O ATOM 1127 OXT GLY A 123 -5.024 12.178 -2.928 1.00 0.00 O ATOM 0 H GLY A 123 -6.838 10.146 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.597 12.259 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.202 12.814 -0.239 1.00 0.00 H new