USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 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= -0.19 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.212 K(o=-0.21,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.051) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0286 X(o=-0.029,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 1.649 9.706 -0.870 1.00 0.00 N ATOM 99 CA GLU A 56 1.726 8.254 -1.017 1.00 0.00 C ATOM 100 C GLU A 56 2.061 7.594 0.317 1.00 0.00 C ATOM 101 O GLU A 56 2.908 8.074 1.071 1.00 0.00 O ATOM 102 CB GLU A 56 2.800 7.880 -2.040 1.00 0.00 C ATOM 103 CG GLU A 56 2.507 8.581 -3.369 1.00 0.00 C ATOM 104 CD GLU A 56 3.820 8.915 -4.068 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.565 7.994 -4.358 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.062 10.088 -4.301 1.00 0.00 O ATOM 0 HA GLU A 56 0.754 7.900 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.784 8.171 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.820 6.800 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.898 7.939 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.934 9.492 -3.194 1.00 0.00 H new ATOM 113 N ILE A 57 1.388 6.479 0.596 1.00 0.00 N ATOM 114 CA ILE A 57 1.620 5.748 1.840 1.00 0.00 C ATOM 115 C ILE A 57 2.881 4.883 1.717 1.00 0.00 C ATOM 116 O ILE A 57 2.950 4.006 0.856 1.00 0.00 O ATOM 117 CB ILE A 57 0.427 4.840 2.158 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.865 5.662 2.134 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.608 4.220 3.545 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.065 4.722 2.007 1.00 0.00 C ATOM 0 H ILE A 57 0.684 6.065 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 57 1.748 6.475 2.642 1.00 0.00 H new ATOM 0 HB ILE A 57 0.369 4.048 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.949 6.255 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.848 6.362 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.242 3.575 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.525 3.632 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.669 5.011 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.985 5.307 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.982 4.149 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.084 4.040 2.857 1.00 0.00 H new ATOM 132 N PRO A 58 3.894 5.109 2.569 1.00 0.00 N ATOM 133 CA PRO A 58 5.141 4.328 2.523 1.00 0.00 C ATOM 134 C PRO A 58 4.950 2.902 3.034 1.00 0.00 C ATOM 135 O PRO A 58 4.248 2.668 4.018 1.00 0.00 O ATOM 136 CB PRO A 58 6.094 5.097 3.435 1.00 0.00 C ATOM 137 CG PRO A 58 5.213 5.844 4.375 1.00 0.00 C ATOM 138 CD PRO A 58 3.933 6.124 3.639 1.00 0.00 C ATOM 0 HA PRO A 58 5.510 4.222 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.759 4.420 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.725 5.776 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.022 5.258 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.687 6.772 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.069 6.039 4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.923 7.134 3.229 1.00 0.00 H new ATOM 146 N ALA A 59 5.583 1.952 2.352 1.00 0.00 N ATOM 147 CA ALA A 59 5.479 0.548 2.744 1.00 0.00 C ATOM 148 C ALA A 59 6.261 0.296 4.035 1.00 0.00 C ATOM 149 O ALA A 59 7.292 0.924 4.276 1.00 0.00 O ATOM 150 CB ALA A 59 6.033 -0.358 1.642 1.00 0.00 C ATOM 0 H ALA A 59 6.167 2.124 1.534 1.00 0.00 H new ATOM 0 HA ALA A 59 4.425 0.320 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.948 -1.400 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.465 -0.204 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.081 -0.117 1.465 1.00 0.00 H new ATOM 156 N PRO A 60 5.782 -0.627 4.881 1.00 0.00 N ATOM 157 CA PRO A 60 6.452 -0.951 6.150 1.00 0.00 C ATOM 158 C PRO A 60 7.738 -1.748 5.942 1.00 0.00 C ATOM 159 O PRO A 60 8.658 -1.691 6.758 1.00 0.00 O ATOM 160 CB PRO A 60 5.424 -1.786 6.907 1.00 0.00 C ATOM 161 CG PRO A 60 4.558 -2.387 5.854 1.00 0.00 C ATOM 162 CD PRO A 60 4.560 -1.433 4.693 1.00 0.00 C ATOM 0 HA PRO A 60 6.757 -0.050 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.908 -2.557 7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.842 -1.169 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.937 -3.363 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.545 -2.540 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.578 -1.965 3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.668 -0.807 4.692 1.00 0.00 H new ATOM 170 N LEU A 61 7.790 -2.493 4.840 1.00 0.00 N ATOM 171 CA LEU A 61 8.968 -3.300 4.534 1.00 0.00 C ATOM 172 C LEU A 61 8.974 -3.694 3.062 1.00 0.00 C ATOM 173 O LEU A 61 8.022 -3.427 2.328 1.00 0.00 O ATOM 174 CB LEU A 61 8.987 -4.568 5.388 1.00 0.00 C ATOM 175 CG LEU A 61 7.688 -5.380 5.390 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.699 -6.365 4.219 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.574 -6.153 6.705 1.00 0.00 C ATOM 0 H LEU A 61 7.040 -2.555 4.152 1.00 0.00 H new ATOM 0 HA LEU A 61 9.852 -2.701 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.796 -5.209 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.223 -4.290 6.415 1.00 0.00 H new ATOM 0 HG LEU A 61 6.838 -4.706 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.775 -6.943 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.781 -5.815 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.549 -7.040 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.650 -6.731 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.425 -6.827 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.566 -5.452 7.540 1.00 0.00 H new ATOM 189 N ALA A 62 10.058 -4.338 2.639 1.00 0.00 N ATOM 190 CA ALA A 62 10.181 -4.771 1.250 1.00 0.00 C ATOM 191 C ALA A 62 9.620 -6.179 1.083 1.00 0.00 C ATOM 192 O ALA A 62 10.359 -7.164 1.082 1.00 0.00 O ATOM 193 CB ALA A 62 11.648 -4.759 0.814 1.00 0.00 C ATOM 0 H ALA A 62 10.856 -4.570 3.230 1.00 0.00 H new ATOM 0 HA ALA A 62 9.615 -4.079 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.722 -5.084 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.047 -3.749 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.222 -5.435 1.448 1.00 0.00 H new ATOM 199 N GLY A 63 8.299 -6.264 0.941 1.00 0.00 N ATOM 200 CA GLY A 63 7.643 -7.557 0.774 1.00 0.00 C ATOM 201 C GLY A 63 7.120 -7.717 -0.649 1.00 0.00 C ATOM 202 O GLY A 63 7.738 -7.254 -1.609 1.00 0.00 O ATOM 0 H GLY A 63 7.669 -5.462 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.346 -8.359 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.819 -7.646 1.482 1.00 0.00 H new ATOM 206 N THR A 64 5.973 -8.379 -0.776 1.00 0.00 N ATOM 207 CA THR A 64 5.372 -8.598 -2.087 1.00 0.00 C ATOM 208 C THR A 64 3.867 -8.354 -2.033 1.00 0.00 C ATOM 209 O THR A 64 3.193 -8.749 -1.081 1.00 0.00 O ATOM 210 CB THR A 64 5.628 -10.031 -2.560 1.00 0.00 C ATOM 211 OG1 THR A 64 7.015 -10.323 -2.451 1.00 0.00 O ATOM 212 CG2 THR A 64 5.186 -10.177 -4.017 1.00 0.00 C ATOM 0 H THR A 64 5.446 -8.769 0.005 1.00 0.00 H new ATOM 0 HA THR A 64 5.828 -7.897 -2.787 1.00 0.00 H new ATOM 0 HB THR A 64 5.060 -10.725 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.181 -11.241 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.369 -11.198 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.122 -9.953 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.751 -9.484 -4.640 1.00 0.00 H new ATOM 220 N VAL A 65 3.349 -7.701 -3.069 1.00 0.00 N ATOM 221 CA VAL A 65 1.919 -7.409 -3.134 1.00 0.00 C ATOM 222 C VAL A 65 1.133 -8.693 -3.381 1.00 0.00 C ATOM 223 O VAL A 65 1.381 -9.412 -4.349 1.00 0.00 O ATOM 224 CB VAL A 65 1.621 -6.415 -4.263 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.147 -5.994 -4.211 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.512 -5.174 -4.107 1.00 0.00 C ATOM 0 H VAL A 65 3.890 -7.367 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 65 1.619 -6.971 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 65 1.826 -6.892 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.058 -5.288 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.487 -6.873 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.063 -5.522 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.298 -4.469 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.311 -4.700 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.560 -5.470 -4.154 1.00 0.00 H new ATOM 236 N SER A 66 0.186 -8.977 -2.492 1.00 0.00 N ATOM 237 CA SER A 66 -0.626 -10.182 -2.621 1.00 0.00 C ATOM 238 C SER A 66 -2.003 -9.849 -3.188 1.00 0.00 C ATOM 239 O SER A 66 -2.398 -10.361 -4.235 1.00 0.00 O ATOM 240 CB SER A 66 -0.799 -10.860 -1.262 1.00 0.00 C ATOM 241 OG SER A 66 -1.743 -11.916 -1.379 1.00 0.00 O ATOM 0 H SER A 66 -0.036 -8.397 -1.683 1.00 0.00 H new ATOM 0 HA SER A 66 -0.110 -10.858 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.157 -11.249 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.137 -10.135 -0.522 1.00 0.00 H new ATOM 0 HG SER A 66 -1.854 -12.353 -0.509 1.00 0.00 H new ATOM 247 N LYS A 67 -2.733 -8.989 -2.482 1.00 0.00 N ATOM 248 CA LYS A 67 -4.070 -8.604 -2.924 1.00 0.00 C ATOM 249 C LYS A 67 -4.399 -7.181 -2.476 1.00 0.00 C ATOM 250 O LYS A 67 -4.099 -6.782 -1.350 1.00 0.00 O ATOM 251 CB LYS A 67 -5.114 -9.567 -2.349 1.00 0.00 C ATOM 252 CG LYS A 67 -6.499 -9.231 -2.911 1.00 0.00 C ATOM 253 CD LYS A 67 -6.561 -9.617 -4.391 1.00 0.00 C ATOM 254 CE LYS A 67 -8.001 -9.964 -4.769 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.048 -10.950 -5.887 1.00 0.00 N ATOM 0 H LYS A 67 -2.427 -8.551 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.091 -8.648 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.850 -10.595 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.126 -9.497 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.268 -9.765 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.702 -8.166 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.201 -8.794 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.908 -10.469 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.519 -10.372 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.531 -9.057 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.039 -11.164 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.575 -10.550 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.563 -11.824 -5.600 1.00 0.00 H new ATOM 269 N ILE A 68 -5.030 -6.427 -3.374 1.00 0.00 N ATOM 270 CA ILE A 68 -5.414 -5.049 -3.074 1.00 0.00 C ATOM 271 C ILE A 68 -6.864 -5.003 -2.605 1.00 0.00 C ATOM 272 O ILE A 68 -7.738 -5.646 -3.185 1.00 0.00 O ATOM 273 CB ILE A 68 -5.259 -4.166 -4.314 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.849 -4.332 -4.887 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.478 -2.700 -3.930 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.807 -3.773 -6.310 1.00 0.00 C ATOM 0 H ILE A 68 -5.285 -6.744 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.760 -4.675 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.995 -4.462 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.126 -3.811 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.568 -5.385 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.367 -2.072 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.481 -2.577 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.742 -2.406 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.803 -3.891 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.518 -4.314 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.070 -2.715 -6.293 1.00 0.00 H new ATOM 288 N LEU A 69 -7.108 -4.241 -1.543 1.00 0.00 N ATOM 289 CA LEU A 69 -8.459 -4.130 -1.001 1.00 0.00 C ATOM 290 C LEU A 69 -9.121 -2.828 -1.448 1.00 0.00 C ATOM 291 O LEU A 69 -10.340 -2.762 -1.607 1.00 0.00 O ATOM 292 CB LEU A 69 -8.428 -4.176 0.527 1.00 0.00 C ATOM 293 CG LEU A 69 -8.416 -5.578 1.140 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.848 -5.514 2.559 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.845 -6.124 1.187 1.00 0.00 C ATOM 0 H LEU A 69 -6.401 -3.699 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.037 -4.973 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.544 -3.639 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.296 -3.639 0.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.794 -6.234 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.841 -6.514 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.830 -5.125 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.468 -4.858 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.839 -7.123 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.466 -5.466 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.249 -6.172 0.176 1.00 0.00 H new ATOM 307 N VAL A 70 -8.309 -1.795 -1.647 1.00 0.00 N ATOM 308 CA VAL A 70 -8.839 -0.501 -2.073 1.00 0.00 C ATOM 309 C VAL A 70 -8.468 -0.217 -3.526 1.00 0.00 C ATOM 310 O VAL A 70 -7.428 -0.657 -4.015 1.00 0.00 O ATOM 311 CB VAL A 70 -8.296 0.621 -1.184 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.753 0.391 0.257 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.765 0.631 -1.235 1.00 0.00 C ATOM 0 H VAL A 70 -7.297 -1.824 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.925 -0.539 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.674 1.578 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.368 1.188 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.842 0.389 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.375 -0.569 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.385 1.432 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.383 -0.326 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.436 0.795 -2.261 1.00 0.00 H new ATOM 323 N LYS A 71 -9.333 0.529 -4.204 1.00 0.00 N ATOM 324 CA LYS A 71 -9.095 0.876 -5.601 1.00 0.00 C ATOM 325 C LYS A 71 -9.449 2.339 -5.847 1.00 0.00 C ATOM 326 O LYS A 71 -10.129 2.972 -5.040 1.00 0.00 O ATOM 327 CB LYS A 71 -9.936 -0.005 -6.525 1.00 0.00 C ATOM 328 CG LYS A 71 -11.407 0.078 -6.112 1.00 0.00 C ATOM 329 CD LYS A 71 -12.289 -0.399 -7.266 1.00 0.00 C ATOM 330 CE LYS A 71 -12.331 -1.929 -7.279 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.554 -2.434 -7.965 1.00 0.00 N ATOM 0 H LYS A 71 -10.198 0.903 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.039 0.714 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.819 0.319 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.591 -1.038 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.583 -0.536 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.663 1.103 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.297 0.002 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.899 -0.027 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.444 -2.314 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.305 -2.304 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.552 -3.474 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.399 -2.085 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.565 -2.096 -8.948 1.00 0.00 H new ATOM 345 N GLU A 72 -8.979 2.869 -6.974 1.00 0.00 N ATOM 346 CA GLU A 72 -9.251 4.263 -7.321 1.00 0.00 C ATOM 347 C GLU A 72 -10.753 4.498 -7.451 1.00 0.00 C ATOM 348 O GLU A 72 -11.370 4.128 -8.450 1.00 0.00 O ATOM 349 CB GLU A 72 -8.576 4.629 -8.645 1.00 0.00 C ATOM 350 CG GLU A 72 -7.067 4.398 -8.533 1.00 0.00 C ATOM 351 CD GLU A 72 -6.415 4.640 -9.890 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.330 5.790 -10.288 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.009 3.672 -10.511 1.00 0.00 O ATOM 0 H GLU A 72 -8.415 2.362 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.851 4.890 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.988 4.025 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.777 5.672 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.640 5.068 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.868 3.380 -8.198 1.00 0.00 H new ATOM 360 N GLY A 73 -11.334 5.116 -6.428 1.00 0.00 N ATOM 361 CA GLY A 73 -12.768 5.397 -6.435 1.00 0.00 C ATOM 362 C GLY A 73 -13.381 5.124 -5.066 1.00 0.00 C ATOM 363 O GLY A 73 -14.342 5.777 -4.658 1.00 0.00 O ATOM 0 H GLY A 73 -10.842 5.430 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.938 6.437 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.260 4.781 -7.188 1.00 0.00 H new ATOM 367 N ASP A 74 -12.814 4.149 -4.358 1.00 0.00 N ATOM 368 CA ASP A 74 -13.314 3.795 -3.033 1.00 0.00 C ATOM 369 C ASP A 74 -12.637 4.644 -1.963 1.00 0.00 C ATOM 370 O ASP A 74 -11.473 5.025 -2.095 1.00 0.00 O ATOM 371 CB ASP A 74 -13.049 2.319 -2.736 1.00 0.00 C ATOM 372 CG ASP A 74 -14.003 1.456 -3.555 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.188 1.478 -3.265 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.534 0.786 -4.461 1.00 0.00 O ATOM 0 H ASP A 74 -12.018 3.596 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.388 3.981 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.016 2.068 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.184 2.121 -1.673 1.00 0.00 H new ATOM 379 N THR A 75 -13.379 4.935 -0.900 1.00 0.00 N ATOM 380 CA THR A 75 -12.845 5.739 0.194 1.00 0.00 C ATOM 381 C THR A 75 -12.312 4.838 1.301 1.00 0.00 C ATOM 382 O THR A 75 -12.880 3.785 1.592 1.00 0.00 O ATOM 383 CB THR A 75 -13.933 6.649 0.772 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.581 7.339 -0.287 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.302 7.659 1.732 1.00 0.00 C ATOM 0 H THR A 75 -14.344 4.629 -0.772 1.00 0.00 H new ATOM 0 HA THR A 75 -12.034 6.351 -0.201 1.00 0.00 H new ATOM 0 HB THR A 75 -14.662 6.046 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.279 7.921 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.078 8.305 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.806 7.128 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.572 8.264 1.195 1.00 0.00 H new ATOM 393 N VAL A 76 -11.211 5.260 1.916 1.00 0.00 N ATOM 394 CA VAL A 76 -10.606 4.480 2.991 1.00 0.00 C ATOM 395 C VAL A 76 -10.579 5.285 4.286 1.00 0.00 C ATOM 396 O VAL A 76 -10.614 6.516 4.270 1.00 0.00 O ATOM 397 CB VAL A 76 -9.176 4.082 2.624 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.205 3.122 1.434 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.380 5.334 2.248 1.00 0.00 C ATOM 0 H VAL A 76 -10.724 6.128 1.692 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.208 3.583 3.134 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.704 3.592 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.186 2.837 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.774 2.231 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.676 3.613 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.360 5.052 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.852 5.823 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.360 6.021 3.094 1.00 0.00 H new ATOM 409 N LYS A 77 -10.517 4.574 5.407 1.00 0.00 N ATOM 410 CA LYS A 77 -10.483 5.227 6.712 1.00 0.00 C ATOM 411 C LYS A 77 -9.180 4.900 7.433 1.00 0.00 C ATOM 412 O LYS A 77 -8.573 3.852 7.206 1.00 0.00 O ATOM 413 CB LYS A 77 -11.661 4.766 7.574 1.00 0.00 C ATOM 414 CG LYS A 77 -12.877 5.650 7.291 1.00 0.00 C ATOM 415 CD LYS A 77 -13.571 5.172 6.014 1.00 0.00 C ATOM 416 CE LYS A 77 -15.058 5.522 6.079 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.681 5.504 4.724 1.00 0.00 N ATOM 0 H LYS A 77 -10.489 3.555 5.440 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.552 6.303 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.897 3.724 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.396 4.821 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.571 5.611 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.567 6.689 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.114 5.640 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.445 4.095 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.572 4.812 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.182 6.509 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.690 5.745 4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.205 6.199 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.583 4.555 4.310 1.00 0.00 H new ATOM 431 N ALA A 78 -8.756 5.809 8.307 1.00 0.00 N ATOM 432 CA ALA A 78 -7.519 5.613 9.061 1.00 0.00 C ATOM 433 C ALA A 78 -7.594 4.337 9.896 1.00 0.00 C ATOM 434 O ALA A 78 -8.088 4.342 11.024 1.00 0.00 O ATOM 435 CB ALA A 78 -7.267 6.799 9.993 1.00 0.00 C ATOM 0 H ALA A 78 -9.245 6.681 8.510 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.702 5.530 8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.342 6.637 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.182 7.713 9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.097 6.894 10.693 1.00 0.00 H new ATOM 441 N GLY A 79 -7.095 3.242 9.328 1.00 0.00 N ATOM 442 CA GLY A 79 -7.107 1.959 10.026 1.00 0.00 C ATOM 443 C GLY A 79 -7.587 0.843 9.104 1.00 0.00 C ATOM 444 O GLY A 79 -7.167 -0.307 9.227 1.00 0.00 O ATOM 0 H GLY A 79 -6.681 3.216 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.106 1.729 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.758 2.021 10.898 1.00 0.00 H new ATOM 448 N GLN A 80 -8.473 1.196 8.176 1.00 0.00 N ATOM 449 CA GLN A 80 -9.008 0.217 7.234 1.00 0.00 C ATOM 450 C GLN A 80 -7.892 -0.357 6.366 1.00 0.00 C ATOM 451 O GLN A 80 -6.973 0.355 5.959 1.00 0.00 O ATOM 452 CB GLN A 80 -10.061 0.862 6.332 1.00 0.00 C ATOM 453 CG GLN A 80 -10.864 -0.229 5.622 1.00 0.00 C ATOM 454 CD GLN A 80 -12.276 0.276 5.343 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.816 1.080 6.103 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.912 -0.151 4.287 1.00 0.00 N ATOM 0 H GLN A 80 -8.833 2.143 8.056 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.467 -0.586 7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.726 1.491 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.580 1.509 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.375 -0.506 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.903 -1.126 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.465 -0.817 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.856 0.181 4.091 1.00 0.00 H new ATOM 465 N THR A 81 -7.987 -1.654 6.083 1.00 0.00 N ATOM 466 CA THR A 81 -6.984 -2.321 5.258 1.00 0.00 C ATOM 467 C THR A 81 -7.060 -1.813 3.823 1.00 0.00 C ATOM 468 O THR A 81 -8.145 -1.603 3.280 1.00 0.00 O ATOM 469 CB THR A 81 -7.206 -3.835 5.265 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.528 -4.258 6.584 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.932 -4.541 4.798 1.00 0.00 C ATOM 0 H THR A 81 -8.741 -2.259 6.409 1.00 0.00 H new ATOM 0 HA THR A 81 -6.001 -2.099 5.673 1.00 0.00 H new ATOM 0 HB THR A 81 -8.025 -4.086 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.672 -5.227 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.091 -5.619 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.685 -4.215 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.111 -4.292 5.470 1.00 0.00 H new ATOM 479 N VAL A 82 -5.895 -1.602 3.219 1.00 0.00 N ATOM 480 CA VAL A 82 -5.843 -1.099 1.847 1.00 0.00 C ATOM 481 C VAL A 82 -5.100 -2.063 0.920 1.00 0.00 C ATOM 482 O VAL A 82 -5.413 -2.158 -0.267 1.00 0.00 O ATOM 483 CB VAL A 82 -5.146 0.262 1.810 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.974 1.281 2.595 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.757 0.140 2.443 1.00 0.00 C ATOM 0 H VAL A 82 -4.985 -1.768 3.649 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.871 -1.003 1.497 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.048 0.592 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.477 2.251 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.964 1.368 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.071 0.951 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.259 1.109 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.856 -0.190 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.166 -0.587 1.886 1.00 0.00 H new ATOM 495 N LEU A 83 -4.105 -2.766 1.458 1.00 0.00 N ATOM 496 CA LEU A 83 -3.330 -3.696 0.638 1.00 0.00 C ATOM 497 C LEU A 83 -2.602 -4.717 1.513 1.00 0.00 C ATOM 498 O LEU A 83 -2.023 -4.373 2.543 1.00 0.00 O ATOM 499 CB LEU A 83 -2.313 -2.912 -0.209 1.00 0.00 C ATOM 500 CG LEU A 83 -1.257 -3.727 -0.979 1.00 0.00 C ATOM 501 CD1 LEU A 83 -0.122 -4.135 -0.036 1.00 0.00 C ATOM 502 CD2 LEU A 83 -1.893 -4.980 -1.597 1.00 0.00 C ATOM 0 H LEU A 83 -3.820 -2.713 2.436 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.014 -4.234 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.867 -2.311 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.790 -2.218 0.449 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.855 -3.106 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.621 -4.711 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.346 -3.242 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.523 -4.743 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.133 -5.545 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.314 -5.602 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.684 -4.684 -2.286 1.00 0.00 H new ATOM 514 N VAL A 84 -2.639 -5.980 1.084 1.00 0.00 N ATOM 515 CA VAL A 84 -1.982 -7.054 1.830 1.00 0.00 C ATOM 516 C VAL A 84 -0.660 -7.435 1.165 1.00 0.00 C ATOM 517 O VAL A 84 -0.577 -7.561 -0.056 1.00 0.00 O ATOM 518 CB VAL A 84 -2.878 -8.295 1.892 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.268 -9.317 2.855 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.272 -7.900 2.386 1.00 0.00 C ATOM 0 H VAL A 84 -3.112 -6.282 0.232 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.794 -6.690 2.840 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.957 -8.733 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.905 -10.200 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.277 -9.602 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.187 -8.877 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.907 -8.785 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.195 -7.460 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.708 -7.173 1.701 1.00 0.00 H new ATOM 530 N LEU A 85 0.373 -7.617 1.983 1.00 0.00 N ATOM 531 CA LEU A 85 1.687 -7.981 1.459 1.00 0.00 C ATOM 532 C LEU A 85 2.077 -9.383 1.916 1.00 0.00 C ATOM 533 O LEU A 85 1.460 -9.953 2.816 1.00 0.00 O ATOM 534 CB LEU A 85 2.748 -6.990 1.936 1.00 0.00 C ATOM 535 CG LEU A 85 2.634 -5.577 1.360 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.580 -4.641 2.112 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.012 -5.601 -0.123 1.00 0.00 C ATOM 0 H LEU A 85 0.328 -7.520 2.997 1.00 0.00 H new ATOM 0 HA LEU A 85 1.630 -7.957 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.698 -6.926 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.731 -7.388 1.685 1.00 0.00 H new ATOM 0 HG LEU A 85 1.610 -5.221 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.499 -3.635 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.312 -4.625 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.605 -4.995 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.931 -4.595 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.037 -5.957 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.338 -6.268 -0.660 1.00 0.00 H new ATOM 549 N GLU A 86 3.112 -9.928 1.284 1.00 0.00 N ATOM 550 CA GLU A 86 3.587 -11.264 1.628 1.00 0.00 C ATOM 551 C GLU A 86 5.110 -11.319 1.558 1.00 0.00 C ATOM 552 O GLU A 86 5.687 -11.782 0.573 1.00 0.00 O ATOM 553 CB GLU A 86 3.002 -12.304 0.670 1.00 0.00 C ATOM 554 CG GLU A 86 2.886 -13.650 1.384 1.00 0.00 C ATOM 555 CD GLU A 86 1.758 -14.463 0.759 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.675 -14.486 -0.457 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.992 -15.048 1.506 1.00 0.00 O ATOM 0 H GLU A 86 3.634 -9.470 0.537 1.00 0.00 H new ATOM 0 HA GLU A 86 3.262 -11.488 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.022 -11.981 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.638 -12.401 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.827 -14.196 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.692 -13.495 2.445 1.00 0.00 H new ATOM 630 N GLU A 91 2.087 -13.206 5.243 1.00 0.00 N ATOM 631 CA GLU A 91 0.961 -12.351 4.872 1.00 0.00 C ATOM 632 C GLU A 91 0.820 -11.195 5.857 1.00 0.00 C ATOM 633 O GLU A 91 0.403 -11.380 7.001 1.00 0.00 O ATOM 634 CB GLU A 91 -0.339 -13.158 4.858 1.00 0.00 C ATOM 635 CG GLU A 91 -0.478 -13.875 3.514 1.00 0.00 C ATOM 636 CD GLU A 91 -1.952 -13.981 3.143 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.613 -12.955 3.117 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.401 -15.087 2.889 1.00 0.00 O ATOM 0 HA GLU A 91 1.153 -11.954 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.338 -13.884 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.191 -12.498 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.064 -13.330 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.035 -14.869 3.573 1.00 0.00 H new ATOM 645 N THR A 92 1.173 -9.999 5.398 1.00 0.00 N ATOM 646 CA THR A 92 1.085 -8.810 6.241 1.00 0.00 C ATOM 647 C THR A 92 0.094 -7.813 5.650 1.00 0.00 C ATOM 648 O THR A 92 0.326 -7.242 4.584 1.00 0.00 O ATOM 649 CB THR A 92 2.456 -8.142 6.369 1.00 0.00 C ATOM 650 OG1 THR A 92 3.419 -9.116 6.749 1.00 0.00 O ATOM 651 CG2 THR A 92 2.397 -7.042 7.430 1.00 0.00 C ATOM 0 H THR A 92 1.520 -9.827 4.455 1.00 0.00 H new ATOM 0 HA THR A 92 0.742 -9.119 7.228 1.00 0.00 H new ATOM 0 HB THR A 92 2.736 -7.703 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.299 -8.692 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.375 -6.569 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.658 -6.296 7.140 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.116 -7.477 8.389 1.00 0.00 H new ATOM 659 N GLU A 93 -1.017 -7.616 6.353 1.00 0.00 N ATOM 660 CA GLU A 93 -2.049 -6.690 5.892 1.00 0.00 C ATOM 661 C GLU A 93 -1.675 -5.249 6.233 1.00 0.00 C ATOM 662 O GLU A 93 -1.278 -4.944 7.357 1.00 0.00 O ATOM 663 CB GLU A 93 -3.399 -7.028 6.539 1.00 0.00 C ATOM 664 CG GLU A 93 -3.284 -6.959 8.070 1.00 0.00 C ATOM 665 CD GLU A 93 -3.933 -8.191 8.695 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.786 -9.264 8.134 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.569 -8.042 9.726 1.00 0.00 O ATOM 0 H GLU A 93 -1.226 -8.080 7.237 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.130 -6.791 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.162 -6.331 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.717 -8.025 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.236 -6.901 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.768 -6.055 8.440 1.00 0.00 H new ATOM 674 N ILE A 94 -1.814 -4.365 5.247 1.00 0.00 N ATOM 675 CA ILE A 94 -1.496 -2.954 5.451 1.00 0.00 C ATOM 676 C ILE A 94 -2.779 -2.151 5.646 1.00 0.00 C ATOM 677 O ILE A 94 -3.852 -2.555 5.202 1.00 0.00 O ATOM 678 CB ILE A 94 -0.737 -2.391 4.244 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.454 -3.301 3.900 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.235 -0.980 4.567 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.419 -3.392 5.089 1.00 0.00 C ATOM 0 H ILE A 94 -2.141 -4.597 4.309 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.870 -2.873 6.340 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.409 -2.349 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.095 -4.296 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.978 -2.911 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.305 -0.580 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.084 -0.335 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.432 -1.019 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.256 -4.040 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.792 -2.397 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.896 -3.804 5.952 1.00 0.00 H new ATOM 693 N ASN A 95 -2.656 -1.007 6.313 1.00 0.00 N ATOM 694 CA ASN A 95 -3.816 -0.155 6.559 1.00 0.00 C ATOM 695 C ASN A 95 -3.467 1.309 6.314 1.00 0.00 C ATOM 696 O ASN A 95 -2.328 1.732 6.511 1.00 0.00 O ATOM 697 CB ASN A 95 -4.306 -0.315 8.000 1.00 0.00 C ATOM 698 CG ASN A 95 -3.147 -0.076 8.960 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.048 0.988 9.572 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.255 -1.013 9.131 1.00 0.00 N ATOM 0 H ASN A 95 -1.777 -0.651 6.689 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.605 -0.460 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.111 0.391 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.714 -1.315 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.475 -0.864 9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.337 -1.894 8.624 1.00 0.00 H new ATOM 707 N ALA A 96 -4.464 2.077 5.884 1.00 0.00 N ATOM 708 CA ALA A 96 -4.257 3.497 5.614 1.00 0.00 C ATOM 709 C ALA A 96 -3.859 4.228 6.899 1.00 0.00 C ATOM 710 O ALA A 96 -4.403 3.951 7.968 1.00 0.00 O ATOM 711 CB ALA A 96 -5.538 4.124 5.057 1.00 0.00 C ATOM 0 H ALA A 96 -5.414 1.745 5.716 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.458 3.592 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.369 5.183 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.815 3.622 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.343 4.014 5.784 1.00 0.00 H new ATOM 717 N PRO A 97 -2.908 5.171 6.817 1.00 0.00 N ATOM 718 CA PRO A 97 -2.457 5.931 7.994 1.00 0.00 C ATOM 719 C PRO A 97 -3.497 6.948 8.457 1.00 0.00 C ATOM 720 O PRO A 97 -3.599 7.257 9.644 1.00 0.00 O ATOM 721 CB PRO A 97 -1.195 6.641 7.513 1.00 0.00 C ATOM 722 CG PRO A 97 -1.351 6.754 6.035 1.00 0.00 C ATOM 723 CD PRO A 97 -2.189 5.587 5.597 1.00 0.00 C ATOM 0 HA PRO A 97 -2.287 5.281 8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.095 7.623 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.301 6.074 7.773 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.830 7.696 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.379 6.739 5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.882 5.871 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.571 4.779 5.205 1.00 0.00 H new ATOM 731 N THR A 98 -4.266 7.465 7.504 1.00 0.00 N ATOM 732 CA THR A 98 -5.299 8.447 7.818 1.00 0.00 C ATOM 733 C THR A 98 -6.486 8.287 6.874 1.00 0.00 C ATOM 734 O THR A 98 -6.381 7.650 5.826 1.00 0.00 O ATOM 735 CB THR A 98 -4.744 9.867 7.686 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.726 9.885 6.695 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.162 10.317 9.026 1.00 0.00 C ATOM 0 H THR A 98 -4.195 7.223 6.516 1.00 0.00 H new ATOM 0 HA THR A 98 -5.625 8.280 8.845 1.00 0.00 H new ATOM 0 HB THR A 98 -5.546 10.545 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.370 10.794 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.767 11.328 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.944 10.303 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.359 9.641 9.320 1.00 0.00 H new ATOM 745 N ASP A 99 -7.615 8.876 7.256 1.00 0.00 N ATOM 746 CA ASP A 99 -8.819 8.793 6.434 1.00 0.00 C ATOM 747 C ASP A 99 -8.632 9.576 5.139 1.00 0.00 C ATOM 748 O ASP A 99 -8.020 10.644 5.124 1.00 0.00 O ATOM 749 CB ASP A 99 -10.025 9.358 7.186 1.00 0.00 C ATOM 750 CG ASP A 99 -9.702 10.760 7.693 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.715 11.676 6.888 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.447 10.896 8.878 1.00 0.00 O ATOM 0 H ASP A 99 -7.722 9.410 8.118 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.996 7.742 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.894 9.389 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.282 8.708 8.023 1.00 0.00 H new ATOM 757 N GLY A 100 -9.168 9.030 4.050 1.00 0.00 N ATOM 758 CA GLY A 100 -9.056 9.685 2.750 1.00 0.00 C ATOM 759 C GLY A 100 -9.650 8.814 1.649 1.00 0.00 C ATOM 760 O GLY A 100 -10.457 7.921 1.909 1.00 0.00 O ATOM 0 H GLY A 100 -9.678 8.147 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.571 10.646 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.008 9.891 2.531 1.00 0.00 H new ATOM 764 N LYS A 101 -9.242 9.086 0.412 1.00 0.00 N ATOM 765 CA LYS A 101 -9.739 8.326 -0.731 1.00 0.00 C ATOM 766 C LYS A 101 -8.583 7.917 -1.639 1.00 0.00 C ATOM 767 O LYS A 101 -7.623 8.665 -1.820 1.00 0.00 O ATOM 768 CB LYS A 101 -10.735 9.163 -1.538 1.00 0.00 C ATOM 769 CG LYS A 101 -11.398 8.286 -2.603 1.00 0.00 C ATOM 770 CD LYS A 101 -12.844 8.739 -2.809 1.00 0.00 C ATOM 771 CE LYS A 101 -12.860 10.143 -3.415 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.059 10.912 -2.975 1.00 0.00 N ATOM 0 H LYS A 101 -8.574 9.820 0.177 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.238 7.434 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.492 9.584 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.223 10.001 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.847 8.355 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.374 7.241 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.364 8.042 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.376 8.737 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.956 10.677 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.851 10.072 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.040 11.860 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.921 10.413 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.054 11.000 -1.939 1.00 0.00 H new ATOM 786 N VAL A 102 -8.688 6.720 -2.211 1.00 0.00 N ATOM 787 CA VAL A 102 -7.646 6.218 -3.102 1.00 0.00 C ATOM 788 C VAL A 102 -7.735 6.909 -4.460 1.00 0.00 C ATOM 789 O VAL A 102 -8.687 6.706 -5.214 1.00 0.00 O ATOM 790 CB VAL A 102 -7.789 4.705 -3.299 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.583 4.173 -4.075 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.855 4.017 -1.933 1.00 0.00 C ATOM 0 H VAL A 102 -9.475 6.086 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.679 6.431 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.702 4.498 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.686 3.097 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.532 4.662 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.670 4.381 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.957 2.941 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.942 4.226 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.714 4.394 -1.377 1.00 0.00 H new ATOM 802 N GLU A 103 -6.733 7.730 -4.760 1.00 0.00 N ATOM 803 CA GLU A 103 -6.707 8.452 -6.030 1.00 0.00 C ATOM 804 C GLU A 103 -5.930 7.664 -7.083 1.00 0.00 C ATOM 805 O GLU A 103 -6.209 7.760 -8.278 1.00 0.00 O ATOM 806 CB GLU A 103 -6.058 9.828 -5.855 1.00 0.00 C ATOM 807 CG GLU A 103 -4.684 9.673 -5.202 1.00 0.00 C ATOM 808 CD GLU A 103 -3.895 10.968 -5.362 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.462 11.241 -6.470 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.734 11.667 -4.375 1.00 0.00 O ATOM 0 H GLU A 103 -5.936 7.912 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.738 8.578 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.957 10.319 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.694 10.465 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.797 9.432 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.143 8.846 -5.661 1.00 0.00 H new ATOM 817 N LYS A 104 -4.952 6.883 -6.628 1.00 0.00 N ATOM 818 CA LYS A 104 -4.144 6.085 -7.546 1.00 0.00 C ATOM 819 C LYS A 104 -3.482 4.925 -6.808 1.00 0.00 C ATOM 820 O LYS A 104 -2.919 5.097 -5.727 1.00 0.00 O ATOM 821 CB LYS A 104 -3.057 6.947 -8.192 1.00 0.00 C ATOM 822 CG LYS A 104 -2.629 6.321 -9.520 1.00 0.00 C ATOM 823 CD LYS A 104 -1.659 7.259 -10.240 1.00 0.00 C ATOM 824 CE LYS A 104 -0.293 7.207 -9.554 1.00 0.00 C ATOM 825 NZ LYS A 104 0.423 8.509 -9.665 1.00 0.00 N ATOM 0 H LYS A 104 -4.703 6.786 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.806 5.694 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.431 7.957 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.200 7.030 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.154 5.356 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.503 6.136 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.564 6.967 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.045 8.278 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.422 6.950 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.311 6.419 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.345 8.440 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.567 8.741 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.143 9.256 -9.215 1.00 0.00 H new ATOM 839 N VAL A 105 -3.557 3.739 -7.407 1.00 0.00 N ATOM 840 CA VAL A 105 -2.962 2.552 -6.802 1.00 0.00 C ATOM 841 C VAL A 105 -1.628 2.230 -7.467 1.00 0.00 C ATOM 842 O VAL A 105 -1.579 1.769 -8.608 1.00 0.00 O ATOM 843 CB VAL A 105 -3.896 1.346 -6.948 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.331 0.151 -6.170 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.278 1.707 -6.394 1.00 0.00 C ATOM 0 H VAL A 105 -4.019 3.576 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.803 2.759 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.979 1.080 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.000 -0.703 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.347 -0.107 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.243 0.412 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.946 0.852 -6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.189 1.975 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.684 2.552 -6.950 1.00 0.00 H new ATOM 855 N LEU A 106 -0.543 2.474 -6.737 1.00 0.00 N ATOM 856 CA LEU A 106 0.791 2.201 -7.261 1.00 0.00 C ATOM 857 C LEU A 106 1.113 0.716 -7.135 1.00 0.00 C ATOM 858 O LEU A 106 1.827 0.147 -7.960 1.00 0.00 O ATOM 859 CB LEU A 106 1.842 3.007 -6.496 1.00 0.00 C ATOM 860 CG LEU A 106 1.794 4.520 -6.717 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.628 5.221 -5.642 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.363 4.850 -8.098 1.00 0.00 C ATOM 0 H LEU A 106 -0.560 2.856 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 106 0.809 2.491 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.724 2.808 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.830 2.646 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 106 0.761 4.863 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.593 6.299 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.224 4.985 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.661 4.878 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.330 5.928 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.396 4.506 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.770 4.351 -8.865 1.00 0.00 H new ATOM 874 N VAL A 107 0.575 0.092 -6.089 1.00 0.00 N ATOM 875 CA VAL A 107 0.806 -1.329 -5.858 1.00 0.00 C ATOM 876 C VAL A 107 -0.057 -2.167 -6.794 1.00 0.00 C ATOM 877 O VAL A 107 -1.198 -1.815 -7.093 1.00 0.00 O ATOM 878 CB VAL A 107 0.477 -1.700 -4.411 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.454 -0.998 -3.468 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.952 -1.257 -4.083 1.00 0.00 C ATOM 0 H VAL A 107 -0.019 0.545 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 107 1.859 -1.533 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 107 0.563 -2.779 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.219 -1.263 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.472 -1.311 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.369 0.081 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.187 -1.521 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.036 -0.178 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.651 -1.757 -4.754 1.00 0.00 H new ATOM 890 N LYS A 108 0.500 -3.284 -7.250 1.00 0.00 N ATOM 891 CA LYS A 108 -0.225 -4.174 -8.150 1.00 0.00 C ATOM 892 C LYS A 108 -0.052 -5.623 -7.708 1.00 0.00 C ATOM 893 O LYS A 108 0.956 -5.984 -7.100 1.00 0.00 O ATOM 894 CB LYS A 108 0.289 -4.024 -9.584 1.00 0.00 C ATOM 895 CG LYS A 108 -0.389 -2.826 -10.250 1.00 0.00 C ATOM 896 CD LYS A 108 -1.819 -3.202 -10.645 1.00 0.00 C ATOM 897 CE LYS A 108 -1.815 -3.824 -12.044 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.990 -4.719 -12.244 1.00 0.00 N ATOM 0 H LYS A 108 1.443 -3.593 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.280 -3.904 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.370 -3.887 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.084 -4.932 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.401 -1.976 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.174 -2.520 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.234 -3.906 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.456 -2.318 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.825 -3.034 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.895 -4.390 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.958 -5.125 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.966 -5.486 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.867 -4.172 -12.129 1.00 0.00 H new ATOM 912 N GLU A 109 -1.047 -6.451 -8.019 1.00 0.00 N ATOM 913 CA GLU A 109 -0.998 -7.865 -7.649 1.00 0.00 C ATOM 914 C GLU A 109 0.233 -8.540 -8.250 1.00 0.00 C ATOM 915 O GLU A 109 0.584 -8.308 -9.407 1.00 0.00 O ATOM 916 CB GLU A 109 -2.252 -8.590 -8.143 1.00 0.00 C ATOM 917 CG GLU A 109 -3.486 -8.036 -7.424 1.00 0.00 C ATOM 918 CD GLU A 109 -4.161 -6.986 -8.300 1.00 0.00 C ATOM 919 OE1 GLU A 109 -3.450 -6.265 -8.981 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.379 -6.918 -8.278 1.00 0.00 O ATOM 0 H GLU A 109 -1.890 -6.172 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.945 -7.922 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.358 -8.460 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.161 -9.660 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.184 -8.844 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.196 -7.596 -6.470 1.00 0.00 H new ATOM 927 N ARG A 110 0.886 -9.378 -7.447 1.00 0.00 N ATOM 928 CA ARG A 110 2.083 -10.088 -7.899 1.00 0.00 C ATOM 929 C ARG A 110 3.199 -9.096 -8.221 1.00 0.00 C ATOM 930 O ARG A 110 3.944 -9.264 -9.186 1.00 0.00 O ATOM 931 CB ARG A 110 1.778 -10.928 -9.145 1.00 0.00 C ATOM 932 CG ARG A 110 2.770 -12.091 -9.230 1.00 0.00 C ATOM 933 CD ARG A 110 2.141 -13.243 -10.016 1.00 0.00 C ATOM 934 NE ARG A 110 2.516 -13.169 -11.426 1.00 0.00 N ATOM 935 CZ ARG A 110 1.608 -12.915 -12.363 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.835 -13.871 -12.800 1.00 0.00 N ATOM 937 NH2 ARG A 110 1.489 -11.708 -12.845 1.00 0.00 N ATOM 0 H ARG A 110 0.610 -9.582 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 110 2.405 -10.749 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.758 -11.309 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.848 -10.310 -10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.689 -11.764 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.041 -12.425 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.465 -14.196 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.056 -13.206 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 110 3.489 -13.314 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.927 -14.814 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.139 -13.675 -13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.093 -10.960 -12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.792 -11.512 -13.564 1.00 0.00 H new ATOM 951 N ASP A 111 3.303 -8.060 -7.394 1.00 0.00 N ATOM 952 CA ASP A 111 4.331 -7.041 -7.588 1.00 0.00 C ATOM 953 C ASP A 111 5.165 -6.882 -6.319 1.00 0.00 C ATOM 954 O ASP A 111 4.653 -6.996 -5.205 1.00 0.00 O ATOM 955 CB ASP A 111 3.694 -5.696 -7.937 1.00 0.00 C ATOM 956 CG ASP A 111 4.699 -4.836 -8.695 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.540 -4.233 -8.048 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.614 -4.794 -9.911 1.00 0.00 O ATOM 0 H ASP A 111 2.695 -7.904 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 111 4.972 -7.361 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.802 -5.851 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.376 -5.186 -7.028 1.00 0.00 H new ATOM 963 N ALA A 112 6.455 -6.619 -6.501 1.00 0.00 N ATOM 964 CA ALA A 112 7.354 -6.446 -5.363 1.00 0.00 C ATOM 965 C ALA A 112 7.415 -4.981 -4.947 1.00 0.00 C ATOM 966 O ALA A 112 7.439 -4.083 -5.789 1.00 0.00 O ATOM 967 CB ALA A 112 8.764 -6.921 -5.719 1.00 0.00 C ATOM 0 H ALA A 112 6.899 -6.522 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 112 6.967 -7.042 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.421 -6.785 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.735 -7.976 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.142 -6.340 -6.561 1.00 0.00 H new ATOM 973 N VAL A 113 7.441 -4.751 -3.638 1.00 0.00 N ATOM 974 CA VAL A 113 7.500 -3.389 -3.114 1.00 0.00 C ATOM 975 C VAL A 113 8.744 -3.206 -2.249 1.00 0.00 C ATOM 976 O VAL A 113 9.534 -4.134 -2.070 1.00 0.00 O ATOM 977 CB VAL A 113 6.256 -3.081 -2.277 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.018 -3.107 -3.175 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.107 -4.132 -1.175 1.00 0.00 C ATOM 0 H VAL A 113 7.422 -5.481 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 113 7.543 -2.703 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 113 6.359 -2.094 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.132 -2.888 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.122 -2.358 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.917 -4.094 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.221 -3.912 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.005 -5.119 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.988 -4.115 -0.534 1.00 0.00 H new ATOM 989 N GLN A 114 8.908 -2.000 -1.715 1.00 0.00 N ATOM 990 CA GLN A 114 10.060 -1.703 -0.868 1.00 0.00 C ATOM 991 C GLN A 114 9.647 -0.811 0.298 1.00 0.00 C ATOM 992 O GLN A 114 8.755 0.029 0.172 1.00 0.00 O ATOM 993 CB GLN A 114 11.152 -0.996 -1.674 1.00 0.00 C ATOM 994 CG GLN A 114 11.785 -1.985 -2.655 1.00 0.00 C ATOM 995 CD GLN A 114 13.239 -1.596 -2.904 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.125 -2.450 -2.904 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.539 -0.345 -3.119 1.00 0.00 N ATOM 0 H GLN A 114 8.266 -1.219 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 114 10.447 -2.647 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.729 -0.151 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.912 -0.596 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.732 -2.997 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.232 -1.986 -3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.805 0.363 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.508 -0.075 -3.287 1.00 0.00 H new ATOM 1006 N GLY A 115 10.306 -1.003 1.437 1.00 0.00 N ATOM 1007 CA GLY A 115 10.003 -0.210 2.626 1.00 0.00 C ATOM 1008 C GLY A 115 10.258 1.270 2.367 1.00 0.00 C ATOM 1009 O GLY A 115 11.402 1.725 2.349 1.00 0.00 O ATOM 0 H GLY A 115 11.046 -1.693 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.962 -0.360 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.616 -0.549 3.461 1.00 0.00 H new ATOM 1013 N GLY A 116 9.177 2.017 2.164 1.00 0.00 N ATOM 1014 CA GLY A 116 9.291 3.449 1.903 1.00 0.00 C ATOM 1015 C GLY A 116 8.650 3.809 0.566 1.00 0.00 C ATOM 1016 O GLY A 116 8.147 4.917 0.381 1.00 0.00 O ATOM 0 H GLY A 116 8.222 1.660 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.809 4.009 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.341 3.740 1.898 1.00 0.00 H new ATOM 1020 N GLN A 117 8.672 2.858 -0.367 1.00 0.00 N ATOM 1021 CA GLN A 117 8.090 3.085 -1.687 1.00 0.00 C ATOM 1022 C GLN A 117 6.595 3.366 -1.568 1.00 0.00 C ATOM 1023 O GLN A 117 5.887 2.723 -0.791 1.00 0.00 O ATOM 1024 CB GLN A 117 8.297 1.863 -2.582 1.00 0.00 C ATOM 1025 CG GLN A 117 7.932 2.218 -4.025 1.00 0.00 C ATOM 1026 CD GLN A 117 7.506 0.956 -4.769 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.343 0.241 -5.320 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.242 0.639 -4.819 1.00 0.00 N ATOM 0 H GLN A 117 9.082 1.933 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 117 8.589 3.947 -2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.334 1.532 -2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.680 1.035 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.124 2.950 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.785 2.677 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.549 1.232 -4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.946 -0.202 -5.315 1.00 0.00 H new ATOM 1037 N GLY A 118 6.123 4.335 -2.346 1.00 0.00 N ATOM 1038 CA GLY A 118 4.709 4.699 -2.322 1.00 0.00 C ATOM 1039 C GLY A 118 3.838 3.522 -2.747 1.00 0.00 C ATOM 1040 O GLY A 118 3.941 3.027 -3.870 1.00 0.00 O ATOM 0 H GLY A 118 6.692 4.878 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.429 5.021 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.535 5.544 -2.988 1.00 0.00 H new ATOM 1044 N LEU A 119 2.977 3.082 -1.834 1.00 0.00 N ATOM 1045 CA LEU A 119 2.084 1.962 -2.122 1.00 0.00 C ATOM 1046 C LEU A 119 0.784 2.466 -2.739 1.00 0.00 C ATOM 1047 O LEU A 119 0.386 2.034 -3.821 1.00 0.00 O ATOM 1048 CB LEU A 119 1.763 1.191 -0.840 1.00 0.00 C ATOM 1049 CG LEU A 119 2.962 0.524 -0.159 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.570 0.088 1.254 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.389 -0.702 -0.969 1.00 0.00 C ATOM 0 H LEU A 119 2.878 3.478 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 119 2.588 1.300 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.298 1.876 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.025 0.423 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 119 3.789 1.232 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.423 -0.387 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.263 0.960 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.743 -0.620 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.242 -1.178 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.561 -1.409 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.668 -0.393 -1.976 1.00 0.00 H new ATOM 1063 N ILE A 120 0.129 3.390 -2.042 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.126 3.953 -2.532 1.00 0.00 C ATOM 1065 C ILE A 120 -1.208 5.439 -2.194 1.00 0.00 C ATOM 1066 O ILE A 120 -0.700 5.885 -1.164 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.325 3.233 -1.911 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.165 1.720 -2.094 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.610 3.694 -2.602 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.297 0.989 -1.367 1.00 0.00 C ATOM 0 H ILE A 120 0.442 3.762 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.151 3.821 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.377 3.468 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.179 1.469 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.200 1.397 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.465 3.182 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.726 4.770 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.556 3.459 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.180 -0.087 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.262 1.230 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.256 1.303 -1.779 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.853 6.200 -3.074 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.999 7.637 -2.862 1.00 0.00 C ATOM 1084 C LYS A 121 -3.349 7.944 -2.221 1.00 0.00 C ATOM 1085 O LYS A 121 -4.397 7.527 -2.714 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.896 8.390 -4.190 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.430 8.716 -4.483 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.354 9.827 -5.533 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.362 11.190 -4.839 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.314 12.305 -5.827 1.00 0.00 N ATOM 0 H LYS A 121 -2.279 5.850 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.197 7.962 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.313 7.785 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.481 9.308 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.073 9.030 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.087 7.826 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.552 9.716 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.198 9.752 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.259 11.283 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.492 11.262 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.321 13.215 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.555 12.229 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.142 12.250 -6.453 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.314 8.679 -1.112 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.542 9.035 -0.408 1.00 0.00 C ATOM 1106 C ILE A 122 -4.841 10.523 -0.571 1.00 0.00 C ATOM 1107 O ILE A 122 -3.933 11.352 -0.619 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.422 8.710 1.085 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.945 7.259 1.267 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.781 8.899 1.767 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.946 6.284 0.632 1.00 0.00 C ATOM 0 H ILE A 122 -2.459 9.036 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.355 8.452 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.696 9.384 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.964 7.132 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.834 7.036 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.691 8.667 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.107 9.932 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.513 8.233 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.595 5.261 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.919 6.400 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.036 6.497 -0.433 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.128 10.848 -0.654 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.543 12.239 -0.811 1.00 0.00 C ATOM 1125 C GLY A 123 -6.822 12.558 -2.275 1.00 0.00 C ATOM 1126 O GLY A 123 -7.827 12.087 -2.782 1.00 0.00 O ATOM 1127 OXT GLY A 123 -6.028 13.270 -2.867 1.00 0.00 O ATOM 0 H GLY A 123 -6.894 10.176 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.437 12.426 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.764 12.901 -0.432 1.00 0.00 H new