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=-0.00398 USER MOD Single : A 66 SER OG : rot 180:sc= 0 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= -0.189 K(o=-0.19,f=-2.3!) 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= 0.0918 K(o=0.092,f=-3.7!) 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= -2.07! K(o=-2.1!,f=-0.12) USER MOD Single : A 117 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.346 9.525 -0.615 1.00 0.00 N ATOM 99 CA GLU A 56 1.483 8.095 -0.876 1.00 0.00 C ATOM 100 C GLU A 56 1.751 7.340 0.422 1.00 0.00 C ATOM 101 O GLU A 56 2.559 7.763 1.249 1.00 0.00 O ATOM 102 CB GLU A 56 2.633 7.836 -1.851 1.00 0.00 C ATOM 103 CG GLU A 56 2.399 8.626 -3.139 1.00 0.00 C ATOM 104 CD GLU A 56 3.741 8.938 -3.794 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.472 9.744 -3.243 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.015 8.369 -4.838 1.00 0.00 O ATOM 0 HA GLU A 56 0.550 7.742 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.580 8.130 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.703 6.771 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.773 8.052 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.865 9.551 -2.919 1.00 0.00 H new ATOM 113 N ILE A 57 1.064 6.213 0.589 1.00 0.00 N ATOM 114 CA ILE A 57 1.233 5.399 1.790 1.00 0.00 C ATOM 115 C ILE A 57 2.515 4.561 1.685 1.00 0.00 C ATOM 116 O ILE A 57 2.597 3.656 0.855 1.00 0.00 O ATOM 117 CB ILE A 57 0.040 4.457 1.973 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.262 5.262 1.916 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.144 3.757 3.329 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.455 4.306 1.936 1.00 0.00 C ATOM 0 H ILE A 57 0.392 5.845 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 57 1.299 6.070 2.647 1.00 0.00 H new ATOM 0 HB ILE A 57 0.043 3.712 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.316 5.946 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.286 5.871 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.706 3.087 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.069 3.183 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.143 4.502 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.381 4.879 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.402 3.640 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.433 3.716 2.852 1.00 0.00 H new ATOM 132 N PRO A 58 3.529 4.845 2.516 1.00 0.00 N ATOM 133 CA PRO A 58 4.797 4.097 2.488 1.00 0.00 C ATOM 134 C PRO A 58 4.647 2.677 3.030 1.00 0.00 C ATOM 135 O PRO A 58 3.922 2.440 3.995 1.00 0.00 O ATOM 136 CB PRO A 58 5.728 4.913 3.381 1.00 0.00 C ATOM 137 CG PRO A 58 4.825 5.655 4.303 1.00 0.00 C ATOM 138 CD PRO A 58 3.550 5.900 3.549 1.00 0.00 C ATOM 0 HA PRO A 58 5.168 3.977 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.412 4.268 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.340 5.597 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.635 5.077 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.278 6.596 4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.681 5.833 4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.537 6.894 3.103 1.00 0.00 H new ATOM 146 N ALA A 59 5.344 1.738 2.394 1.00 0.00 N ATOM 147 CA ALA A 59 5.286 0.343 2.818 1.00 0.00 C ATOM 148 C ALA A 59 6.182 0.118 4.039 1.00 0.00 C ATOM 149 O ALA A 59 7.207 0.781 4.193 1.00 0.00 O ATOM 150 CB ALA A 59 5.742 -0.580 1.688 1.00 0.00 C ATOM 0 H ALA A 59 5.949 1.915 1.592 1.00 0.00 H new ATOM 0 HA ALA A 59 4.253 0.113 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.692 -1.616 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.092 -0.446 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.768 -0.337 1.411 1.00 0.00 H new ATOM 156 N PRO A 60 5.807 -0.818 4.921 1.00 0.00 N ATOM 157 CA PRO A 60 6.590 -1.118 6.130 1.00 0.00 C ATOM 158 C PRO A 60 7.888 -1.859 5.813 1.00 0.00 C ATOM 159 O PRO A 60 8.870 -1.763 6.549 1.00 0.00 O ATOM 160 CB PRO A 60 5.661 -2.000 6.960 1.00 0.00 C ATOM 161 CG PRO A 60 4.742 -2.633 5.972 1.00 0.00 C ATOM 162 CD PRO A 60 4.602 -1.666 4.832 1.00 0.00 C ATOM 0 HA PRO A 60 6.899 -0.208 6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.222 -2.752 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.108 -1.411 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.143 -3.585 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.772 -2.842 6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.551 -2.185 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.691 -1.074 4.923 1.00 0.00 H new ATOM 170 N LEU A 61 7.878 -2.601 4.708 1.00 0.00 N ATOM 171 CA LEU A 61 9.058 -3.356 4.298 1.00 0.00 C ATOM 172 C LEU A 61 8.993 -3.672 2.808 1.00 0.00 C ATOM 173 O LEU A 61 7.973 -3.448 2.155 1.00 0.00 O ATOM 174 CB LEU A 61 9.157 -4.668 5.079 1.00 0.00 C ATOM 175 CG LEU A 61 7.913 -5.561 5.027 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.330 -7.033 5.087 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.007 -5.242 6.218 1.00 0.00 C ATOM 0 H LEU A 61 7.075 -2.695 4.087 1.00 0.00 H new ATOM 0 HA LEU A 61 9.936 -2.745 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.006 -5.235 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.372 -4.435 6.122 1.00 0.00 H new ATOM 0 HG LEU A 61 7.376 -5.375 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.442 -7.664 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.975 -7.263 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.870 -7.221 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.122 -5.877 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.548 -5.426 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.705 -4.196 6.175 1.00 0.00 H new ATOM 189 N ALA A 62 10.094 -4.195 2.276 1.00 0.00 N ATOM 190 CA ALA A 62 10.154 -4.540 0.859 1.00 0.00 C ATOM 191 C ALA A 62 9.722 -5.987 0.645 1.00 0.00 C ATOM 192 O ALA A 62 10.553 -6.893 0.558 1.00 0.00 O ATOM 193 CB ALA A 62 11.575 -4.357 0.322 1.00 0.00 C ATOM 0 H ALA A 62 10.949 -4.388 2.798 1.00 0.00 H new ATOM 0 HA ALA A 62 9.477 -3.876 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.601 -4.619 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.880 -3.318 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.258 -5.004 0.873 1.00 0.00 H new ATOM 199 N GLY A 63 8.411 -6.194 0.564 1.00 0.00 N ATOM 200 CA GLY A 63 7.872 -7.537 0.361 1.00 0.00 C ATOM 201 C GLY A 63 7.280 -7.677 -1.037 1.00 0.00 C ATOM 202 O GLY A 63 7.869 -7.237 -2.024 1.00 0.00 O ATOM 0 H GLY A 63 7.708 -5.458 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.661 -8.276 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.105 -7.743 1.108 1.00 0.00 H new ATOM 206 N THR A 64 6.105 -8.297 -1.110 1.00 0.00 N ATOM 207 CA THR A 64 5.436 -8.491 -2.394 1.00 0.00 C ATOM 208 C THR A 64 3.938 -8.243 -2.258 1.00 0.00 C ATOM 209 O THR A 64 3.310 -8.654 -1.282 1.00 0.00 O ATOM 210 CB THR A 64 5.660 -9.918 -2.903 1.00 0.00 C ATOM 211 OG1 THR A 64 6.981 -10.331 -2.582 1.00 0.00 O ATOM 212 CG2 THR A 64 5.464 -9.956 -4.418 1.00 0.00 C ATOM 0 H THR A 64 5.601 -8.670 -0.305 1.00 0.00 H new ATOM 0 HA THR A 64 5.859 -7.780 -3.104 1.00 0.00 H new ATOM 0 HB THR A 64 4.945 -10.591 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.126 -11.245 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.623 -10.972 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.450 -9.639 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.179 -9.285 -4.894 1.00 0.00 H new ATOM 220 N VAL A 65 3.370 -7.565 -3.252 1.00 0.00 N ATOM 221 CA VAL A 65 1.941 -7.264 -3.238 1.00 0.00 C ATOM 222 C VAL A 65 1.129 -8.548 -3.369 1.00 0.00 C ATOM 223 O VAL A 65 1.298 -9.314 -4.318 1.00 0.00 O ATOM 224 CB VAL A 65 1.579 -6.323 -4.391 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.124 -5.870 -4.244 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.497 -5.099 -4.360 1.00 0.00 C ATOM 0 H VAL A 65 3.871 -7.217 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 65 1.707 -6.779 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 65 1.703 -6.848 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.133 -5.200 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.532 -6.740 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.000 -5.346 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.239 -4.430 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.373 -4.575 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.534 -5.419 -4.465 1.00 0.00 H new ATOM 236 N SER A 66 0.243 -8.776 -2.403 1.00 0.00 N ATOM 237 CA SER A 66 -0.593 -9.972 -2.417 1.00 0.00 C ATOM 238 C SER A 66 -1.974 -9.651 -2.978 1.00 0.00 C ATOM 239 O SER A 66 -2.396 -10.215 -3.987 1.00 0.00 O ATOM 240 CB SER A 66 -0.748 -10.535 -1.005 1.00 0.00 C ATOM 241 OG SER A 66 -0.938 -11.941 -1.079 1.00 0.00 O ATOM 0 H SER A 66 0.086 -8.155 -1.609 1.00 0.00 H new ATOM 0 HA SER A 66 -0.106 -10.713 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.137 -10.307 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.597 -10.067 -0.506 1.00 0.00 H new ATOM 0 HG SER A 66 -1.036 -12.306 -0.175 1.00 0.00 H new ATOM 247 N LYS A 67 -2.676 -8.739 -2.310 1.00 0.00 N ATOM 248 CA LYS A 67 -4.014 -8.351 -2.750 1.00 0.00 C ATOM 249 C LYS A 67 -4.289 -6.893 -2.398 1.00 0.00 C ATOM 250 O LYS A 67 -3.809 -6.383 -1.385 1.00 0.00 O ATOM 251 CB LYS A 67 -5.080 -9.229 -2.086 1.00 0.00 C ATOM 252 CG LYS A 67 -4.705 -10.705 -2.244 1.00 0.00 C ATOM 253 CD LYS A 67 -5.894 -11.580 -1.846 1.00 0.00 C ATOM 254 CE LYS A 67 -5.824 -12.912 -2.596 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.160 -13.571 -2.661 1.00 0.00 N ATOM 0 H LYS A 67 -2.346 -8.260 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.059 -8.483 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.166 -8.977 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.054 -9.041 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.419 -10.910 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.842 -10.940 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.885 -11.756 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.828 -11.069 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.450 -12.743 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.114 -13.574 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.078 -14.471 -3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.504 -13.753 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.830 -12.949 -3.156 1.00 0.00 H new ATOM 269 N ILE A 68 -5.069 -6.228 -3.245 1.00 0.00 N ATOM 270 CA ILE A 68 -5.407 -4.825 -3.015 1.00 0.00 C ATOM 271 C ILE A 68 -6.855 -4.709 -2.545 1.00 0.00 C ATOM 272 O ILE A 68 -7.784 -5.084 -3.260 1.00 0.00 O ATOM 273 CB ILE A 68 -5.230 -4.001 -4.298 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.878 -4.330 -4.945 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.280 -2.506 -3.962 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.781 -3.638 -6.306 1.00 0.00 C ATOM 0 H ILE A 68 -5.476 -6.632 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.735 -4.437 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.034 -4.246 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.064 -4.001 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.773 -5.408 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.154 -1.924 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.242 -2.267 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.479 -2.263 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.821 -3.872 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.587 -3.989 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.866 -2.560 -6.173 1.00 0.00 H new ATOM 288 N LEU A 69 -7.036 -4.194 -1.331 1.00 0.00 N ATOM 289 CA LEU A 69 -8.379 -4.044 -0.771 1.00 0.00 C ATOM 290 C LEU A 69 -8.932 -2.638 -1.016 1.00 0.00 C ATOM 291 O LEU A 69 -9.836 -2.188 -0.313 1.00 0.00 O ATOM 292 CB LEU A 69 -8.358 -4.309 0.735 1.00 0.00 C ATOM 293 CG LEU A 69 -8.295 -5.784 1.141 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.583 -5.914 2.489 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.715 -6.340 1.259 1.00 0.00 C ATOM 0 H LEU A 69 -6.281 -3.877 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.023 -4.769 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.499 -3.794 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.250 -3.866 1.177 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.745 -6.345 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.539 -6.964 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.571 -5.517 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.131 -5.353 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.672 -7.390 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.264 -5.778 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.222 -6.249 0.299 1.00 0.00 H new ATOM 307 N VAL A 70 -8.389 -1.949 -2.018 1.00 0.00 N ATOM 308 CA VAL A 70 -8.850 -0.600 -2.335 1.00 0.00 C ATOM 309 C VAL A 70 -8.683 -0.314 -3.823 1.00 0.00 C ATOM 310 O VAL A 70 -7.767 -0.819 -4.471 1.00 0.00 O ATOM 311 CB VAL A 70 -8.066 0.444 -1.539 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.384 0.300 -0.049 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.565 0.240 -1.761 1.00 0.00 C ATOM 0 H VAL A 70 -7.640 -2.297 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.905 -0.540 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.351 1.441 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.824 1.045 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.452 0.450 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.103 -0.698 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.009 0.985 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.280 -0.758 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.336 0.347 -2.821 1.00 0.00 H new ATOM 323 N LYS A 71 -9.585 0.505 -4.356 1.00 0.00 N ATOM 324 CA LYS A 71 -9.536 0.862 -5.770 1.00 0.00 C ATOM 325 C LYS A 71 -9.681 2.370 -5.937 1.00 0.00 C ATOM 326 O LYS A 71 -10.214 3.057 -5.065 1.00 0.00 O ATOM 327 CB LYS A 71 -10.661 0.167 -6.540 1.00 0.00 C ATOM 328 CG LYS A 71 -10.630 -1.336 -6.251 1.00 0.00 C ATOM 329 CD LYS A 71 -11.692 -2.043 -7.097 1.00 0.00 C ATOM 330 CE LYS A 71 -11.051 -2.579 -8.378 1.00 0.00 C ATOM 331 NZ LYS A 71 -10.515 -3.957 -8.183 1.00 0.00 N ATOM 0 H LYS A 71 -10.352 0.931 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.574 0.538 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.625 0.583 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.547 0.344 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.643 -1.740 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.814 -1.517 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.138 -2.861 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.497 -1.350 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.788 -2.584 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.245 -1.914 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.087 -4.292 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.794 -3.946 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.289 -4.595 -7.910 1.00 0.00 H new ATOM 345 N GLU A 72 -9.201 2.880 -7.069 1.00 0.00 N ATOM 346 CA GLU A 72 -9.282 4.314 -7.344 1.00 0.00 C ATOM 347 C GLU A 72 -10.736 4.779 -7.336 1.00 0.00 C ATOM 348 O GLU A 72 -11.441 4.678 -8.340 1.00 0.00 O ATOM 349 CB GLU A 72 -8.664 4.633 -8.707 1.00 0.00 C ATOM 350 CG GLU A 72 -7.140 4.569 -8.603 1.00 0.00 C ATOM 351 CD GLU A 72 -6.535 4.527 -10.002 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.321 5.589 -10.565 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.297 3.435 -10.491 1.00 0.00 O ATOM 0 H GLU A 72 -8.756 2.330 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.730 4.837 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.018 3.923 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.975 5.624 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.765 5.436 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.840 3.686 -8.039 1.00 0.00 H new ATOM 360 N GLY A 73 -11.173 5.287 -6.188 1.00 0.00 N ATOM 361 CA GLY A 73 -12.547 5.763 -6.050 1.00 0.00 C ATOM 362 C GLY A 73 -13.118 5.380 -4.689 1.00 0.00 C ATOM 363 O GLY A 73 -13.964 6.084 -4.135 1.00 0.00 O ATOM 0 H GLY A 73 -10.603 5.380 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.575 6.846 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.165 5.339 -6.841 1.00 0.00 H new ATOM 367 N ASP A 74 -12.649 4.254 -4.154 1.00 0.00 N ATOM 368 CA ASP A 74 -13.122 3.787 -2.853 1.00 0.00 C ATOM 369 C ASP A 74 -12.548 4.655 -1.738 1.00 0.00 C ATOM 370 O ASP A 74 -11.422 5.145 -1.830 1.00 0.00 O ATOM 371 CB ASP A 74 -12.704 2.334 -2.620 1.00 0.00 C ATOM 372 CG ASP A 74 -13.468 1.426 -3.577 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.687 1.484 -3.573 1.00 0.00 O ATOM 374 OD2 ASP A 74 -12.823 0.683 -4.300 1.00 0.00 O ATOM 0 H ASP A 74 -11.951 3.655 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.210 3.855 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.631 2.224 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.908 2.047 -1.588 1.00 0.00 H new ATOM 379 N THR A 75 -13.336 4.839 -0.683 1.00 0.00 N ATOM 380 CA THR A 75 -12.897 5.650 0.450 1.00 0.00 C ATOM 381 C THR A 75 -12.371 4.759 1.570 1.00 0.00 C ATOM 382 O THR A 75 -13.041 3.825 2.008 1.00 0.00 O ATOM 383 CB THR A 75 -14.055 6.495 0.986 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.887 6.894 -0.095 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.501 7.733 1.691 1.00 0.00 C ATOM 0 H THR A 75 -14.271 4.443 -0.588 1.00 0.00 H new ATOM 0 HA THR A 75 -12.100 6.308 0.104 1.00 0.00 H new ATOM 0 HB THR A 75 -14.638 5.907 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.630 7.434 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.326 8.334 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.863 7.425 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.918 8.324 0.984 1.00 0.00 H new ATOM 393 N VAL A 76 -11.159 5.062 2.029 1.00 0.00 N ATOM 394 CA VAL A 76 -10.547 4.283 3.101 1.00 0.00 C ATOM 395 C VAL A 76 -10.420 5.126 4.365 1.00 0.00 C ATOM 396 O VAL A 76 -10.302 6.350 4.305 1.00 0.00 O ATOM 397 CB VAL A 76 -9.156 3.800 2.687 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.283 2.787 1.547 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.320 4.994 2.218 1.00 0.00 C ATOM 0 H VAL A 76 -10.588 5.832 1.680 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.187 3.423 3.297 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.669 3.327 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.291 2.444 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.877 1.936 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.771 3.258 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.329 4.650 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.808 5.468 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.227 5.715 3.030 1.00 0.00 H new ATOM 409 N LYS A 77 -10.445 4.455 5.512 1.00 0.00 N ATOM 410 CA LYS A 77 -10.330 5.149 6.791 1.00 0.00 C ATOM 411 C LYS A 77 -9.018 4.783 7.476 1.00 0.00 C ATOM 412 O LYS A 77 -8.504 3.676 7.313 1.00 0.00 O ATOM 413 CB LYS A 77 -11.494 4.779 7.710 1.00 0.00 C ATOM 414 CG LYS A 77 -12.736 5.580 7.311 1.00 0.00 C ATOM 415 CD LYS A 77 -13.948 5.066 8.090 1.00 0.00 C ATOM 416 CE LYS A 77 -15.203 5.199 7.227 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.395 4.003 6.359 1.00 0.00 N ATOM 0 H LYS A 77 -10.543 3.442 5.583 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.353 6.221 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.700 3.711 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.232 4.987 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.580 6.639 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.913 5.487 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.797 4.024 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.067 5.633 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.075 5.329 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.127 6.092 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.255 4.124 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.573 3.894 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.492 3.155 6.953 1.00 0.00 H new ATOM 431 N ALA A 78 -8.482 5.728 8.244 1.00 0.00 N ATOM 432 CA ALA A 78 -7.223 5.504 8.954 1.00 0.00 C ATOM 433 C ALA A 78 -7.331 4.295 9.882 1.00 0.00 C ATOM 434 O ALA A 78 -7.799 4.403 11.016 1.00 0.00 O ATOM 435 CB ALA A 78 -6.853 6.733 9.787 1.00 0.00 C ATOM 0 H ALA A 78 -8.895 6.649 8.391 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.450 5.319 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.914 6.550 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.741 7.597 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.640 6.930 10.515 1.00 0.00 H new ATOM 441 N GLY A 79 -6.891 3.141 9.386 1.00 0.00 N ATOM 442 CA GLY A 79 -6.941 1.915 10.176 1.00 0.00 C ATOM 443 C GLY A 79 -7.414 0.738 9.329 1.00 0.00 C ATOM 444 O GLY A 79 -6.981 -0.398 9.522 1.00 0.00 O ATOM 0 H GLY A 79 -6.500 3.030 8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.953 1.700 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.613 2.051 11.023 1.00 0.00 H new ATOM 448 N GLN A 80 -8.308 1.024 8.387 1.00 0.00 N ATOM 449 CA GLN A 80 -8.837 -0.020 7.511 1.00 0.00 C ATOM 450 C GLN A 80 -7.755 -0.515 6.557 1.00 0.00 C ATOM 451 O GLN A 80 -6.960 0.268 6.036 1.00 0.00 O ATOM 452 CB GLN A 80 -10.019 0.512 6.697 1.00 0.00 C ATOM 453 CG GLN A 80 -10.681 -0.642 5.939 1.00 0.00 C ATOM 454 CD GLN A 80 -11.445 -0.091 4.741 1.00 0.00 C ATOM 455 OE1 GLN A 80 -11.106 0.967 4.213 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.469 -0.754 4.275 1.00 0.00 N ATOM 0 H GLN A 80 -8.679 1.958 8.211 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.172 -0.847 8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.743 0.989 7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.677 1.273 5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.925 -1.353 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.359 -1.183 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.750 -1.631 4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.987 -0.395 3.473 1.00 0.00 H new ATOM 465 N THR A 81 -7.735 -1.827 6.331 1.00 0.00 N ATOM 466 CA THR A 81 -6.747 -2.424 5.434 1.00 0.00 C ATOM 467 C THR A 81 -6.888 -1.851 4.027 1.00 0.00 C ATOM 468 O THR A 81 -7.997 -1.670 3.523 1.00 0.00 O ATOM 469 CB THR A 81 -6.926 -3.942 5.374 1.00 0.00 C ATOM 470 OG1 THR A 81 -6.976 -4.463 6.695 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.752 -4.567 4.620 1.00 0.00 C ATOM 0 H THR A 81 -8.384 -2.492 6.752 1.00 0.00 H new ATOM 0 HA THR A 81 -5.756 -2.191 5.823 1.00 0.00 H new ATOM 0 HB THR A 81 -7.854 -4.179 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.092 -5.435 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.881 -5.649 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.716 -4.166 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.821 -4.332 5.137 1.00 0.00 H new ATOM 479 N VAL A 82 -5.751 -1.561 3.402 1.00 0.00 N ATOM 480 CA VAL A 82 -5.758 -0.999 2.054 1.00 0.00 C ATOM 481 C VAL A 82 -5.150 -1.979 1.050 1.00 0.00 C ATOM 482 O VAL A 82 -5.561 -2.034 -0.109 1.00 0.00 O ATOM 483 CB VAL A 82 -4.967 0.313 2.018 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.625 1.327 2.955 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.527 0.063 2.478 1.00 0.00 C ATOM 0 H VAL A 82 -4.823 -1.703 3.801 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.795 -0.808 1.780 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.960 0.701 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.064 2.261 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.649 1.510 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.631 0.933 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.969 0.999 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.533 -0.327 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.054 -0.661 1.815 1.00 0.00 H new ATOM 495 N LEU A 83 -4.163 -2.745 1.505 1.00 0.00 N ATOM 496 CA LEU A 83 -3.501 -3.711 0.632 1.00 0.00 C ATOM 497 C LEU A 83 -2.761 -4.761 1.457 1.00 0.00 C ATOM 498 O LEU A 83 -2.288 -4.486 2.559 1.00 0.00 O ATOM 499 CB LEU A 83 -2.506 -2.993 -0.282 1.00 0.00 C ATOM 500 CG LEU A 83 -1.667 -3.898 -1.193 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.379 -3.175 -2.510 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.344 -4.232 -0.499 1.00 0.00 C ATOM 0 H LEU A 83 -3.807 -2.718 2.460 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.262 -4.205 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.057 -2.290 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.829 -2.406 0.339 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.217 -4.817 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.783 -3.819 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.319 -2.934 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.829 -2.256 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.254 -4.875 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.203 -3.311 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.546 -4.748 0.440 1.00 0.00 H new ATOM 514 N VAL A 84 -2.666 -5.969 0.905 1.00 0.00 N ATOM 515 CA VAL A 84 -1.978 -7.059 1.594 1.00 0.00 C ATOM 516 C VAL A 84 -0.609 -7.300 0.963 1.00 0.00 C ATOM 517 O VAL A 84 -0.454 -7.238 -0.257 1.00 0.00 O ATOM 518 CB VAL A 84 -2.799 -8.349 1.516 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.160 -9.419 2.405 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.227 -8.078 1.999 1.00 0.00 C ATOM 0 H VAL A 84 -3.052 -6.216 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.855 -6.775 2.639 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.822 -8.698 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.746 -10.336 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.144 -9.616 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.135 -9.068 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.811 -8.997 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.202 -7.726 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.686 -7.317 1.368 1.00 0.00 H new ATOM 530 N LEU A 85 0.381 -7.575 1.807 1.00 0.00 N ATOM 531 CA LEU A 85 1.737 -7.821 1.320 1.00 0.00 C ATOM 532 C LEU A 85 2.180 -9.239 1.670 1.00 0.00 C ATOM 533 O LEU A 85 1.506 -9.953 2.413 1.00 0.00 O ATOM 534 CB LEU A 85 2.716 -6.816 1.937 1.00 0.00 C ATOM 535 CG LEU A 85 2.949 -5.545 1.118 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.353 -4.401 2.052 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.068 -5.794 0.103 1.00 0.00 C ATOM 0 H LEU A 85 0.274 -7.633 2.820 1.00 0.00 H new ATOM 0 HA LEU A 85 1.736 -7.703 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.346 -6.531 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.675 -7.313 2.087 1.00 0.00 H new ATOM 0 HG LEU A 85 2.032 -5.277 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.519 -3.496 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.558 -4.225 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.270 -4.667 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.236 -4.890 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.984 -6.061 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.781 -6.609 -0.562 1.00 0.00 H new ATOM 549 N GLU A 86 3.326 -9.636 1.124 1.00 0.00 N ATOM 550 CA GLU A 86 3.860 -10.971 1.380 1.00 0.00 C ATOM 551 C GLU A 86 5.331 -10.889 1.776 1.00 0.00 C ATOM 552 O GLU A 86 6.185 -10.514 0.973 1.00 0.00 O ATOM 553 CB GLU A 86 3.728 -11.849 0.133 1.00 0.00 C ATOM 554 CG GLU A 86 2.377 -12.565 0.152 1.00 0.00 C ATOM 555 CD GLU A 86 2.458 -13.825 -0.703 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.930 -14.831 -0.199 1.00 0.00 O ATOM 557 OE2 GLU A 86 2.046 -13.766 -1.849 1.00 0.00 O ATOM 0 H GLU A 86 3.898 -9.059 0.507 1.00 0.00 H new ATOM 0 HA GLU A 86 3.287 -11.412 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.815 -11.238 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.537 -12.578 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.105 -12.824 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.598 -11.904 -0.228 1.00 0.00 H new ATOM 630 N GLU A 91 1.472 -13.461 5.233 1.00 0.00 N ATOM 631 CA GLU A 91 0.645 -12.371 4.725 1.00 0.00 C ATOM 632 C GLU A 91 0.656 -11.194 5.695 1.00 0.00 C ATOM 633 O GLU A 91 0.457 -11.360 6.898 1.00 0.00 O ATOM 634 CB GLU A 91 -0.799 -12.839 4.530 1.00 0.00 C ATOM 635 CG GLU A 91 -0.922 -13.575 3.194 1.00 0.00 C ATOM 636 CD GLU A 91 -2.357 -14.059 3.010 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.919 -14.561 3.970 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.871 -13.923 1.913 1.00 0.00 O ATOM 0 HA GLU A 91 1.059 -12.057 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.093 -13.497 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.475 -11.984 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.642 -12.913 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.235 -14.421 3.168 1.00 0.00 H new ATOM 645 N THR A 92 0.889 -10.000 5.155 1.00 0.00 N ATOM 646 CA THR A 92 0.924 -8.795 5.979 1.00 0.00 C ATOM 647 C THR A 92 -0.131 -7.802 5.505 1.00 0.00 C ATOM 648 O THR A 92 -0.124 -7.368 4.353 1.00 0.00 O ATOM 649 CB THR A 92 2.301 -8.135 5.907 1.00 0.00 C ATOM 650 OG1 THR A 92 3.306 -9.140 5.897 1.00 0.00 O ATOM 651 CG2 THR A 92 2.497 -7.226 7.122 1.00 0.00 C ATOM 0 H THR A 92 1.055 -9.842 4.161 1.00 0.00 H new ATOM 0 HA THR A 92 0.718 -9.083 7.010 1.00 0.00 H new ATOM 0 HB THR A 92 2.373 -7.540 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.190 -8.719 5.849 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.479 -6.756 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.726 -6.456 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.426 -7.818 8.034 1.00 0.00 H new ATOM 659 N GLU A 93 -1.041 -7.448 6.408 1.00 0.00 N ATOM 660 CA GLU A 93 -2.105 -6.504 6.072 1.00 0.00 C ATOM 661 C GLU A 93 -1.620 -5.068 6.240 1.00 0.00 C ATOM 662 O GLU A 93 -1.030 -4.710 7.258 1.00 0.00 O ATOM 663 CB GLU A 93 -3.320 -6.727 6.974 1.00 0.00 C ATOM 664 CG GLU A 93 -4.092 -7.959 6.497 1.00 0.00 C ATOM 665 CD GLU A 93 -3.497 -9.210 7.133 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.530 -9.305 8.349 1.00 0.00 O ATOM 667 OE2 GLU A 93 -3.018 -10.056 6.396 1.00 0.00 O ATOM 0 H GLU A 93 -1.065 -7.795 7.367 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.386 -6.672 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.999 -6.863 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.967 -5.850 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.145 -7.868 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.045 -8.033 5.411 1.00 0.00 H new ATOM 674 N ILE A 94 -1.882 -4.249 5.226 1.00 0.00 N ATOM 675 CA ILE A 94 -1.475 -2.847 5.265 1.00 0.00 C ATOM 676 C ILE A 94 -2.672 -1.961 5.593 1.00 0.00 C ATOM 677 O ILE A 94 -3.699 -2.006 4.917 1.00 0.00 O ATOM 678 CB ILE A 94 -0.886 -2.420 3.917 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.215 -3.408 3.491 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.299 -1.010 4.034 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.342 -3.433 4.532 1.00 0.00 C ATOM 0 H ILE A 94 -2.370 -4.527 4.374 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.715 -2.735 6.039 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.675 -2.420 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.207 -4.407 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.615 -3.120 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.119 -0.709 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.085 -0.312 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.487 -1.005 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.113 -4.136 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.775 -2.437 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.940 -3.744 5.496 1.00 0.00 H new ATOM 693 N ASN A 95 -2.528 -1.155 6.640 1.00 0.00 N ATOM 694 CA ASN A 95 -3.605 -0.260 7.054 1.00 0.00 C ATOM 695 C ASN A 95 -3.300 1.171 6.624 1.00 0.00 C ATOM 696 O ASN A 95 -2.158 1.623 6.687 1.00 0.00 O ATOM 697 CB ASN A 95 -3.778 -0.298 8.574 1.00 0.00 C ATOM 698 CG ASN A 95 -3.969 -1.740 9.029 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.175 -2.616 8.686 1.00 0.00 O ATOM 700 ND2 ASN A 95 -4.986 -2.042 9.788 1.00 0.00 N ATOM 0 H ASN A 95 -1.686 -1.102 7.213 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.526 -0.596 6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.904 0.135 9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.638 0.304 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.123 -3.004 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.644 -1.316 10.072 1.00 0.00 H new ATOM 707 N ALA A 96 -4.338 1.878 6.183 1.00 0.00 N ATOM 708 CA ALA A 96 -4.172 3.260 5.740 1.00 0.00 C ATOM 709 C ALA A 96 -3.661 4.132 6.891 1.00 0.00 C ATOM 710 O ALA A 96 -4.062 3.947 8.041 1.00 0.00 O ATOM 711 CB ALA A 96 -5.502 3.825 5.240 1.00 0.00 C ATOM 0 H ALA A 96 -5.292 1.522 6.123 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.446 3.268 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.360 4.855 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.860 3.226 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.235 3.797 6.046 1.00 0.00 H new ATOM 717 N PRO A 97 -2.771 5.093 6.601 1.00 0.00 N ATOM 718 CA PRO A 97 -2.218 5.984 7.633 1.00 0.00 C ATOM 719 C PRO A 97 -3.237 7.011 8.120 1.00 0.00 C ATOM 720 O PRO A 97 -3.276 7.357 9.300 1.00 0.00 O ATOM 721 CB PRO A 97 -1.055 6.681 6.931 1.00 0.00 C ATOM 722 CG PRO A 97 -1.392 6.634 5.480 1.00 0.00 C ATOM 723 CD PRO A 97 -2.225 5.403 5.267 1.00 0.00 C ATOM 0 HA PRO A 97 -1.920 5.430 8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.945 7.709 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.112 6.174 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.940 7.528 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.487 6.598 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.021 5.582 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.624 4.579 4.882 1.00 0.00 H new ATOM 731 N THR A 98 -4.060 7.494 7.194 1.00 0.00 N ATOM 732 CA THR A 98 -5.079 8.483 7.535 1.00 0.00 C ATOM 733 C THR A 98 -6.293 8.328 6.625 1.00 0.00 C ATOM 734 O THR A 98 -6.198 7.784 5.525 1.00 0.00 O ATOM 735 CB THR A 98 -4.522 9.900 7.386 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.891 10.027 6.118 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.505 10.169 8.495 1.00 0.00 C ATOM 0 H THR A 98 -4.043 7.221 6.211 1.00 0.00 H new ATOM 0 HA THR A 98 -5.376 8.318 8.571 1.00 0.00 H new ATOM 0 HB THR A 98 -5.335 10.622 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.535 10.935 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.109 11.179 8.388 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.991 10.071 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.689 9.450 8.423 1.00 0.00 H new ATOM 745 N ASP A 99 -7.438 8.815 7.097 1.00 0.00 N ATOM 746 CA ASP A 99 -8.669 8.728 6.317 1.00 0.00 C ATOM 747 C ASP A 99 -8.539 9.534 5.029 1.00 0.00 C ATOM 748 O ASP A 99 -7.960 10.619 5.014 1.00 0.00 O ATOM 749 CB ASP A 99 -9.858 9.261 7.119 1.00 0.00 C ATOM 750 CG ASP A 99 -9.534 10.652 7.654 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.605 10.762 8.438 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.218 11.587 7.272 1.00 0.00 O ATOM 0 H ASP A 99 -7.539 9.269 8.005 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.839 7.678 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.746 9.301 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.084 8.586 7.945 1.00 0.00 H new ATOM 757 N GLY A 100 -9.086 8.987 3.948 1.00 0.00 N ATOM 758 CA GLY A 100 -9.028 9.661 2.653 1.00 0.00 C ATOM 759 C GLY A 100 -9.654 8.800 1.562 1.00 0.00 C ATOM 760 O GLY A 100 -10.491 7.939 1.833 1.00 0.00 O ATOM 0 H GLY A 100 -9.570 8.089 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.550 10.616 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.991 9.880 2.399 1.00 0.00 H new ATOM 764 N LYS A 101 -9.240 9.045 0.322 1.00 0.00 N ATOM 765 CA LYS A 101 -9.766 8.288 -0.811 1.00 0.00 C ATOM 766 C LYS A 101 -8.642 7.902 -1.768 1.00 0.00 C ATOM 767 O LYS A 101 -7.710 8.674 -2.001 1.00 0.00 O ATOM 768 CB LYS A 101 -10.804 9.119 -1.573 1.00 0.00 C ATOM 769 CG LYS A 101 -11.521 8.236 -2.607 1.00 0.00 C ATOM 770 CD LYS A 101 -11.476 8.905 -3.984 1.00 0.00 C ATOM 771 CE LYS A 101 -12.647 9.879 -4.119 1.00 0.00 C ATOM 772 NZ LYS A 101 -12.762 10.404 -5.509 1.00 0.00 N ATOM 0 H LYS A 101 -8.549 9.754 0.077 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.235 7.385 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.529 9.540 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.317 9.957 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.046 7.256 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.556 8.074 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.532 9.435 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.526 8.150 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.574 9.377 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.513 10.709 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.566 11.062 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.887 10.904 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.914 9.613 -6.167 1.00 0.00 H new ATOM 786 N VAL A 102 -8.742 6.697 -2.321 1.00 0.00 N ATOM 787 CA VAL A 102 -7.732 6.208 -3.257 1.00 0.00 C ATOM 788 C VAL A 102 -7.879 6.907 -4.605 1.00 0.00 C ATOM 789 O VAL A 102 -8.860 6.706 -5.322 1.00 0.00 O ATOM 790 CB VAL A 102 -7.880 4.694 -3.449 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.730 4.163 -4.309 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.855 4.002 -2.080 1.00 0.00 C ATOM 0 H VAL A 102 -9.505 6.045 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.746 6.425 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.826 4.486 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.841 3.087 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.748 4.652 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.781 4.371 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.960 2.925 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.909 4.215 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.678 4.373 -1.469 1.00 0.00 H new ATOM 802 N GLU A 103 -6.890 7.730 -4.943 1.00 0.00 N ATOM 803 CA GLU A 103 -6.916 8.457 -6.210 1.00 0.00 C ATOM 804 C GLU A 103 -6.112 7.712 -7.273 1.00 0.00 C ATOM 805 O GLU A 103 -6.415 7.785 -8.464 1.00 0.00 O ATOM 806 CB GLU A 103 -6.335 9.864 -6.038 1.00 0.00 C ATOM 807 CG GLU A 103 -4.949 9.776 -5.395 1.00 0.00 C ATOM 808 CD GLU A 103 -4.240 11.120 -5.530 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.974 11.517 -6.652 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.974 11.732 -4.510 1.00 0.00 O ATOM 0 H GLU A 103 -6.069 7.909 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.956 8.532 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.266 10.360 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.997 10.468 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.041 9.505 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.362 8.993 -5.876 1.00 0.00 H new ATOM 817 N LYS A 104 -5.083 6.993 -6.829 1.00 0.00 N ATOM 818 CA LYS A 104 -4.242 6.237 -7.752 1.00 0.00 C ATOM 819 C LYS A 104 -3.501 5.128 -7.012 1.00 0.00 C ATOM 820 O LYS A 104 -2.930 5.349 -5.944 1.00 0.00 O ATOM 821 CB LYS A 104 -3.219 7.158 -8.422 1.00 0.00 C ATOM 822 CG LYS A 104 -2.624 6.455 -9.645 1.00 0.00 C ATOM 823 CD LYS A 104 -1.365 7.196 -10.096 1.00 0.00 C ATOM 824 CE LYS A 104 -1.761 8.505 -10.783 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.595 9.424 -10.914 1.00 0.00 N ATOM 0 H LYS A 104 -4.814 6.919 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.888 5.798 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.695 8.091 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.429 7.416 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.382 5.420 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.354 6.430 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.725 7.402 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.789 6.573 -10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.170 8.290 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.549 8.994 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.896 10.302 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.221 9.647 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.147 8.965 -11.481 1.00 0.00 H new ATOM 839 N VAL A 105 -3.516 3.933 -7.593 1.00 0.00 N ATOM 840 CA VAL A 105 -2.843 2.790 -6.983 1.00 0.00 C ATOM 841 C VAL A 105 -1.489 2.558 -7.648 1.00 0.00 C ATOM 842 O VAL A 105 -1.413 2.124 -8.798 1.00 0.00 O ATOM 843 CB VAL A 105 -3.691 1.522 -7.125 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.070 0.390 -6.299 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.112 1.797 -6.625 1.00 0.00 C ATOM 0 H VAL A 105 -3.982 3.731 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.701 3.010 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.725 1.228 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.676 -0.510 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.060 0.191 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.032 0.684 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.714 0.894 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.078 2.095 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.557 2.598 -7.215 1.00 0.00 H new ATOM 855 N LEU A 106 -0.419 2.852 -6.910 1.00 0.00 N ATOM 856 CA LEU A 106 0.937 2.673 -7.433 1.00 0.00 C ATOM 857 C LEU A 106 1.481 1.273 -7.129 1.00 0.00 C ATOM 858 O LEU A 106 2.687 1.092 -6.966 1.00 0.00 O ATOM 859 CB LEU A 106 1.881 3.711 -6.823 1.00 0.00 C ATOM 860 CG LEU A 106 1.309 5.126 -6.698 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.220 5.967 -5.803 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.227 5.766 -8.086 1.00 0.00 C ATOM 0 H LEU A 106 -0.462 3.212 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 106 0.885 2.801 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.178 3.369 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.786 3.755 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 106 0.312 5.078 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.813 6.974 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.281 5.511 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.217 6.016 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.820 6.773 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.224 5.814 -8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.579 5.167 -8.725 1.00 0.00 H new ATOM 874 N VAL A 107 0.590 0.284 -7.053 1.00 0.00 N ATOM 875 CA VAL A 107 1.009 -1.085 -6.768 1.00 0.00 C ATOM 876 C VAL A 107 -0.015 -2.075 -7.313 1.00 0.00 C ATOM 877 O VAL A 107 -1.223 -1.866 -7.197 1.00 0.00 O ATOM 878 CB VAL A 107 1.152 -1.298 -5.260 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.305 -0.445 -4.729 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.146 -0.888 -4.562 1.00 0.00 C ATOM 0 H VAL A 107 -0.414 0.404 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 107 1.972 -1.251 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 107 1.357 -2.350 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.406 -0.598 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.231 -0.735 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.101 0.607 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.045 -1.040 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.350 0.164 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.969 -1.496 -4.938 1.00 0.00 H new ATOM 890 N LYS A 108 0.479 -3.155 -7.908 1.00 0.00 N ATOM 891 CA LYS A 108 -0.403 -4.173 -8.469 1.00 0.00 C ATOM 892 C LYS A 108 -0.078 -5.541 -7.878 1.00 0.00 C ATOM 893 O LYS A 108 0.995 -5.750 -7.310 1.00 0.00 O ATOM 894 CB LYS A 108 -0.250 -4.239 -9.990 1.00 0.00 C ATOM 895 CG LYS A 108 -1.233 -3.267 -10.646 1.00 0.00 C ATOM 896 CD LYS A 108 -1.008 -3.255 -12.158 1.00 0.00 C ATOM 897 CE LYS A 108 -2.338 -3.012 -12.872 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.357 -3.645 -14.220 1.00 0.00 N ATOM 0 H LYS A 108 1.475 -3.348 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.429 -3.902 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.772 -3.987 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.437 -5.254 -10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.258 -3.564 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.096 -2.265 -10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.293 -2.476 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.579 -4.204 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.154 -3.412 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.509 -1.940 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.273 -3.461 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.593 -3.245 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.218 -4.671 -14.124 1.00 0.00 H new ATOM 912 N GLU A 109 -1.016 -6.474 -8.019 1.00 0.00 N ATOM 913 CA GLU A 109 -0.821 -7.824 -7.497 1.00 0.00 C ATOM 914 C GLU A 109 0.383 -8.485 -8.164 1.00 0.00 C ATOM 915 O GLU A 109 0.710 -8.195 -9.315 1.00 0.00 O ATOM 916 CB GLU A 109 -2.063 -8.682 -7.749 1.00 0.00 C ATOM 917 CG GLU A 109 -3.207 -8.198 -6.855 1.00 0.00 C ATOM 918 CD GLU A 109 -4.530 -8.735 -7.388 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.699 -8.745 -8.597 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.356 -9.128 -6.580 1.00 0.00 O ATOM 0 H GLU A 109 -1.910 -6.323 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.646 -7.747 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.355 -8.619 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.843 -9.729 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.051 -8.537 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.228 -7.108 -6.831 1.00 0.00 H new ATOM 927 N ARG A 110 1.041 -9.374 -7.424 1.00 0.00 N ATOM 928 CA ARG A 110 2.215 -10.073 -7.948 1.00 0.00 C ATOM 929 C ARG A 110 3.316 -9.071 -8.296 1.00 0.00 C ATOM 930 O ARG A 110 4.093 -9.275 -9.229 1.00 0.00 O ATOM 931 CB ARG A 110 1.840 -10.884 -9.200 1.00 0.00 C ATOM 932 CG ARG A 110 1.829 -12.379 -8.863 1.00 0.00 C ATOM 933 CD ARG A 110 3.165 -13.007 -9.270 1.00 0.00 C ATOM 934 NE ARG A 110 3.054 -14.461 -9.328 1.00 0.00 N ATOM 935 CZ ARG A 110 3.589 -15.149 -10.333 1.00 0.00 C ATOM 936 NH1 ARG A 110 4.855 -15.006 -10.621 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.850 -15.967 -11.031 1.00 0.00 N ATOM 0 H ARG A 110 0.786 -9.627 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 110 2.581 -10.754 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.860 -10.576 -9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.554 -10.687 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.659 -12.520 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.009 -12.874 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.473 -12.622 -10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.938 -12.724 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 110 2.559 -14.957 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.433 -14.367 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.265 -15.533 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.861 -16.079 -10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.261 -16.494 -11.801 1.00 0.00 H new ATOM 951 N ASP A 111 3.372 -7.987 -7.529 1.00 0.00 N ATOM 952 CA ASP A 111 4.380 -6.955 -7.757 1.00 0.00 C ATOM 953 C ASP A 111 5.255 -6.785 -6.520 1.00 0.00 C ATOM 954 O ASP A 111 4.803 -6.972 -5.391 1.00 0.00 O ATOM 955 CB ASP A 111 3.713 -5.617 -8.084 1.00 0.00 C ATOM 956 CG ASP A 111 4.665 -4.763 -8.915 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.495 -4.092 -8.325 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.550 -4.793 -10.130 1.00 0.00 O ATOM 0 H ASP A 111 2.739 -7.800 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 111 4.997 -7.267 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.786 -5.785 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.449 -5.096 -7.164 1.00 0.00 H new ATOM 963 N ALA A 112 6.517 -6.428 -6.746 1.00 0.00 N ATOM 964 CA ALA A 112 7.453 -6.234 -5.643 1.00 0.00 C ATOM 965 C ALA A 112 7.446 -4.778 -5.187 1.00 0.00 C ATOM 966 O ALA A 112 7.370 -3.859 -6.003 1.00 0.00 O ATOM 967 CB ALA A 112 8.871 -6.616 -6.070 1.00 0.00 C ATOM 0 H ALA A 112 6.912 -6.269 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 112 7.138 -6.874 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.555 -6.465 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.891 -7.664 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.179 -5.992 -6.909 1.00 0.00 H new ATOM 973 N VAL A 113 7.525 -4.581 -3.875 1.00 0.00 N ATOM 974 CA VAL A 113 7.527 -3.232 -3.315 1.00 0.00 C ATOM 975 C VAL A 113 8.807 -2.984 -2.524 1.00 0.00 C ATOM 976 O VAL A 113 9.669 -3.857 -2.421 1.00 0.00 O ATOM 977 CB VAL A 113 6.321 -3.033 -2.393 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.032 -3.128 -3.211 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.318 -4.118 -1.314 1.00 0.00 C ATOM 0 H VAL A 113 7.588 -5.329 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 113 7.471 -2.524 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 113 6.383 -2.052 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.173 -2.986 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.032 -2.356 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.971 -4.109 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.459 -3.976 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.257 -5.099 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.236 -4.053 -0.730 1.00 0.00 H new ATOM 989 N GLN A 114 8.919 -1.783 -1.966 1.00 0.00 N ATOM 990 CA GLN A 114 10.098 -1.425 -1.181 1.00 0.00 C ATOM 991 C GLN A 114 9.689 -0.669 0.080 1.00 0.00 C ATOM 992 O GLN A 114 8.732 0.105 0.073 1.00 0.00 O ATOM 993 CB GLN A 114 11.042 -0.545 -2.005 1.00 0.00 C ATOM 994 CG GLN A 114 11.966 -1.429 -2.848 1.00 0.00 C ATOM 995 CD GLN A 114 13.307 -1.594 -2.141 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.362 -1.511 -2.769 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.330 -1.825 -0.856 1.00 0.00 N ATOM 0 H GLN A 114 8.217 -1.047 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 114 10.610 -2.346 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.466 0.117 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.633 0.090 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.506 -2.404 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.115 -0.982 -3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.456 -1.894 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.222 -1.936 -0.374 1.00 0.00 H new ATOM 1006 N GLY A 115 10.425 -0.905 1.163 1.00 0.00 N ATOM 1007 CA GLY A 115 10.132 -0.242 2.431 1.00 0.00 C ATOM 1008 C GLY A 115 10.250 1.272 2.289 1.00 0.00 C ATOM 1009 O GLY A 115 11.349 1.815 2.166 1.00 0.00 O ATOM 0 H GLY A 115 11.220 -1.543 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.126 -0.504 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.820 -0.595 3.199 1.00 0.00 H new ATOM 1013 N GLY A 116 9.105 1.948 2.305 1.00 0.00 N ATOM 1014 CA GLY A 116 9.090 3.402 2.174 1.00 0.00 C ATOM 1015 C GLY A 116 8.460 3.825 0.849 1.00 0.00 C ATOM 1016 O GLY A 116 7.892 4.911 0.736 1.00 0.00 O ATOM 0 H GLY A 116 8.185 1.519 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.532 3.840 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.108 3.787 2.236 1.00 0.00 H new ATOM 1020 N GLN A 117 8.567 2.955 -0.155 1.00 0.00 N ATOM 1021 CA GLN A 117 8.006 3.251 -1.471 1.00 0.00 C ATOM 1022 C GLN A 117 6.497 3.453 -1.377 1.00 0.00 C ATOM 1023 O GLN A 117 5.795 2.707 -0.694 1.00 0.00 O ATOM 1024 CB GLN A 117 8.293 2.105 -2.444 1.00 0.00 C ATOM 1025 CG GLN A 117 8.375 2.655 -3.870 1.00 0.00 C ATOM 1026 CD GLN A 117 7.853 1.609 -4.850 1.00 0.00 C ATOM 1027 OE1 GLN A 117 7.087 1.929 -5.759 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.225 0.365 -4.718 1.00 0.00 N ATOM 0 H GLN A 117 9.032 2.050 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 117 8.473 4.166 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.229 1.614 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.508 1.352 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.789 3.570 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.406 2.914 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.860 0.100 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.881 -0.342 -5.368 1.00 0.00 H new ATOM 1037 N GLY A 118 6.006 4.473 -2.077 1.00 0.00 N ATOM 1038 CA GLY A 118 4.575 4.772 -2.071 1.00 0.00 C ATOM 1039 C GLY A 118 3.777 3.597 -2.624 1.00 0.00 C ATOM 1040 O GLY A 118 3.950 3.195 -3.775 1.00 0.00 O ATOM 0 H GLY A 118 6.570 5.101 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.249 4.993 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.382 5.663 -2.669 1.00 0.00 H new ATOM 1044 N LEU A 119 2.899 3.049 -1.789 1.00 0.00 N ATOM 1045 CA LEU A 119 2.076 1.915 -2.200 1.00 0.00 C ATOM 1046 C LEU A 119 0.769 2.398 -2.819 1.00 0.00 C ATOM 1047 O LEU A 119 0.380 1.963 -3.903 1.00 0.00 O ATOM 1048 CB LEU A 119 1.757 1.023 -1.001 1.00 0.00 C ATOM 1049 CG LEU A 119 2.970 0.521 -0.214 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.496 -0.224 1.035 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.790 -0.427 -1.093 1.00 0.00 C ATOM 0 H LEU A 119 2.739 3.367 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 119 2.638 1.344 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.108 1.575 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.191 0.160 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 119 3.588 1.369 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.360 -0.581 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.911 0.450 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.878 -1.072 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.654 -0.785 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.172 -1.275 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.128 0.103 -1.983 1.00 0.00 H new ATOM 1063 N ILE A 120 0.093 3.303 -2.117 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.175 3.840 -2.607 1.00 0.00 C ATOM 1065 C ILE A 120 -1.274 5.330 -2.299 1.00 0.00 C ATOM 1066 O ILE A 120 -0.906 5.781 -1.214 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.357 3.119 -1.952 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.181 1.604 -2.100 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.660 3.549 -2.629 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.255 0.884 -1.282 1.00 0.00 C ATOM 0 H ILE A 120 0.396 3.677 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.210 3.685 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.395 3.378 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.256 1.319 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.189 1.307 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.500 3.035 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.788 4.626 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.622 3.293 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.131 -0.194 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.159 1.160 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.242 1.172 -1.644 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.778 6.088 -3.269 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.927 7.531 -3.096 1.00 0.00 C ATOM 1084 C LYS A 121 -3.305 7.859 -2.532 1.00 0.00 C ATOM 1085 O LYS A 121 -4.326 7.391 -3.036 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.752 8.250 -4.436 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.130 9.627 -4.201 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.890 10.317 -5.545 1.00 0.00 C ATOM 1089 CE LYS A 121 0.374 11.175 -5.463 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.617 11.910 -6.736 1.00 0.00 N ATOM 0 H LYS A 121 -2.087 5.733 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.160 7.869 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.116 7.660 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.717 8.355 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.790 10.234 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.189 9.525 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.786 9.572 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.747 10.938 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.280 11.887 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.232 10.541 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.481 12.482 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.731 11.229 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.191 12.533 -6.937 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.322 8.669 -1.477 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.581 9.056 -0.848 1.00 0.00 C ATOM 1106 C ILE A 122 -4.894 10.519 -1.141 1.00 0.00 C ATOM 1107 O ILE A 122 -4.007 11.372 -1.147 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.509 8.853 0.670 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.030 7.424 0.980 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.891 9.087 1.298 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.000 6.392 0.388 1.00 0.00 C ATOM 0 H ILE A 122 -2.488 9.066 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.370 8.426 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.803 9.568 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.032 7.271 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.955 7.285 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.830 8.941 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.218 10.105 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.607 8.381 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.646 5.387 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.991 6.535 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.053 6.521 -0.693 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.170 10.797 -1.384 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.601 12.162 -1.678 1.00 0.00 C ATOM 1125 C GLY A 123 -6.621 13.008 -0.410 1.00 0.00 C ATOM 1126 O GLY A 123 -7.689 13.470 -0.048 1.00 0.00 O ATOM 1127 OXT GLY A 123 -5.567 13.180 0.180 1.00 0.00 O ATOM 0 H GLY A 123 -6.919 10.104 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.929 12.611 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.595 12.146 -2.126 1.00 0.00 H new