USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=7 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 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0565 X(o=-0.057,f=0) 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= 0.0324 K(o=0.032,f=-0.93) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -137:sc= 1.12 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.320 9.552 -0.725 1.00 0.00 N ATOM 99 CA GLU A 56 1.606 8.146 -1.001 1.00 0.00 C ATOM 100 C GLU A 56 1.867 7.391 0.298 1.00 0.00 C ATOM 101 O GLU A 56 2.668 7.816 1.130 1.00 0.00 O ATOM 102 CB GLU A 56 2.832 8.016 -1.908 1.00 0.00 C ATOM 103 CG GLU A 56 2.614 8.830 -3.186 1.00 0.00 C ATOM 104 CD GLU A 56 3.958 9.333 -3.702 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.643 10.009 -2.952 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.282 9.035 -4.840 1.00 0.00 O ATOM 0 HA GLU A 56 0.738 7.718 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.722 8.370 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.004 6.969 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.128 8.215 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.951 9.672 -2.986 1.00 0.00 H new ATOM 113 N ILE A 57 1.179 6.265 0.461 1.00 0.00 N ATOM 114 CA ILE A 57 1.342 5.450 1.662 1.00 0.00 C ATOM 115 C ILE A 57 2.596 4.576 1.545 1.00 0.00 C ATOM 116 O ILE A 57 2.636 3.651 0.734 1.00 0.00 O ATOM 117 CB ILE A 57 0.122 4.545 1.860 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.153 5.390 1.825 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.223 3.837 3.213 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.369 4.477 1.652 1.00 0.00 C ATOM 0 H ILE A 57 0.510 5.898 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 57 1.442 6.119 2.516 1.00 0.00 H new ATOM 0 HB ILE A 57 0.090 3.803 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.246 5.965 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.104 6.107 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.646 3.193 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.130 3.233 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.257 4.579 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.276 5.080 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.277 3.921 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.421 3.778 2.487 1.00 0.00 H new ATOM 132 N PRO A 58 3.639 4.852 2.345 1.00 0.00 N ATOM 133 CA PRO A 58 4.886 4.070 2.302 1.00 0.00 C ATOM 134 C PRO A 58 4.711 2.667 2.878 1.00 0.00 C ATOM 135 O PRO A 58 4.066 2.478 3.910 1.00 0.00 O ATOM 136 CB PRO A 58 5.860 4.878 3.156 1.00 0.00 C ATOM 137 CG PRO A 58 4.998 5.665 4.083 1.00 0.00 C ATOM 138 CD PRO A 58 3.713 5.928 3.353 1.00 0.00 C ATOM 0 HA PRO A 58 5.229 3.920 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.538 4.225 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.477 5.532 2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.814 5.112 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.483 6.600 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.858 5.899 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.716 6.912 2.885 1.00 0.00 H new ATOM 146 N ALA A 59 5.292 1.684 2.195 1.00 0.00 N ATOM 147 CA ALA A 59 5.197 0.298 2.644 1.00 0.00 C ATOM 148 C ALA A 59 5.962 0.107 3.956 1.00 0.00 C ATOM 149 O ALA A 59 6.938 0.810 4.220 1.00 0.00 O ATOM 150 CB ALA A 59 5.773 -0.648 1.589 1.00 0.00 C ATOM 0 H ALA A 59 5.828 1.819 1.338 1.00 0.00 H new ATOM 0 HA ALA A 59 4.143 0.067 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.694 -1.677 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.215 -0.539 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.821 -0.404 1.415 1.00 0.00 H new ATOM 156 N PRO A 60 5.530 -0.846 4.793 1.00 0.00 N ATOM 157 CA PRO A 60 6.188 -1.116 6.080 1.00 0.00 C ATOM 158 C PRO A 60 7.537 -1.814 5.908 1.00 0.00 C ATOM 159 O PRO A 60 8.431 -1.681 6.742 1.00 0.00 O ATOM 160 CB PRO A 60 5.206 -2.028 6.811 1.00 0.00 C ATOM 161 CG PRO A 60 4.417 -2.693 5.736 1.00 0.00 C ATOM 162 CD PRO A 60 4.376 -1.740 4.575 1.00 0.00 C ATOM 0 HA PRO A 60 6.408 -0.194 6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.731 -2.760 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.560 -1.457 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.878 -3.637 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.410 -2.924 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.456 -2.268 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.440 -1.182 4.552 1.00 0.00 H new ATOM 170 N LEU A 61 7.670 -2.559 4.815 1.00 0.00 N ATOM 171 CA LEU A 61 8.912 -3.276 4.537 1.00 0.00 C ATOM 172 C LEU A 61 8.953 -3.721 3.079 1.00 0.00 C ATOM 173 O LEU A 61 7.971 -3.593 2.348 1.00 0.00 O ATOM 174 CB LEU A 61 9.034 -4.508 5.437 1.00 0.00 C ATOM 175 CG LEU A 61 7.759 -5.351 5.576 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.123 -6.838 5.629 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.025 -4.961 6.864 1.00 0.00 C ATOM 0 H LEU A 61 6.941 -2.682 4.112 1.00 0.00 H new ATOM 0 HA LEU A 61 9.743 -2.599 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.829 -5.144 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.344 -4.182 6.430 1.00 0.00 H new ATOM 0 HG LEU A 61 7.113 -5.168 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.214 -7.432 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.642 -7.118 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.772 -7.023 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.120 -5.560 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.674 -5.141 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.759 -3.905 6.826 1.00 0.00 H new ATOM 189 N ALA A 62 10.102 -4.248 2.665 1.00 0.00 N ATOM 190 CA ALA A 62 10.264 -4.712 1.291 1.00 0.00 C ATOM 191 C ALA A 62 9.700 -6.122 1.138 1.00 0.00 C ATOM 192 O ALA A 62 10.397 -7.112 1.362 1.00 0.00 O ATOM 193 CB ALA A 62 11.742 -4.721 0.897 1.00 0.00 C ATOM 0 H ALA A 62 10.926 -4.364 3.254 1.00 0.00 H new ATOM 0 HA ALA A 62 9.721 -4.028 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.842 -5.070 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.147 -3.712 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.292 -5.387 1.562 1.00 0.00 H new ATOM 199 N GLY A 63 8.430 -6.200 0.753 1.00 0.00 N ATOM 200 CA GLY A 63 7.777 -7.494 0.573 1.00 0.00 C ATOM 201 C GLY A 63 7.209 -7.621 -0.836 1.00 0.00 C ATOM 202 O GLY A 63 7.775 -7.102 -1.798 1.00 0.00 O ATOM 0 H GLY A 63 7.837 -5.393 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.492 -8.296 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.977 -7.608 1.304 1.00 0.00 H new ATOM 206 N THR A 64 6.081 -8.318 -0.948 1.00 0.00 N ATOM 207 CA THR A 64 5.442 -8.508 -2.247 1.00 0.00 C ATOM 208 C THR A 64 3.936 -8.289 -2.135 1.00 0.00 C ATOM 209 O THR A 64 3.297 -8.740 -1.185 1.00 0.00 O ATOM 210 CB THR A 64 5.703 -9.923 -2.772 1.00 0.00 C ATOM 211 OG1 THR A 64 7.065 -10.262 -2.552 1.00 0.00 O ATOM 212 CG2 THR A 64 5.397 -9.978 -4.269 1.00 0.00 C ATOM 0 H THR A 64 5.595 -8.756 -0.165 1.00 0.00 H new ATOM 0 HA THR A 64 5.865 -7.781 -2.940 1.00 0.00 H new ATOM 0 HB THR A 64 5.062 -10.631 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.235 -11.168 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.583 -10.985 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.352 -9.716 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.037 -9.272 -4.797 1.00 0.00 H new ATOM 220 N VAL A 65 3.379 -7.591 -3.121 1.00 0.00 N ATOM 221 CA VAL A 65 1.944 -7.315 -3.127 1.00 0.00 C ATOM 222 C VAL A 65 1.158 -8.603 -3.347 1.00 0.00 C ATOM 223 O VAL A 65 1.416 -9.353 -4.288 1.00 0.00 O ATOM 224 CB VAL A 65 1.593 -6.318 -4.236 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.127 -5.902 -4.106 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.485 -5.081 -4.112 1.00 0.00 C ATOM 0 H VAL A 65 3.891 -7.210 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 65 1.678 -6.887 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 65 1.753 -6.787 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.121 -5.193 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.510 -6.782 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.034 -5.434 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.235 -4.372 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.326 -4.614 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.530 -5.375 -4.206 1.00 0.00 H new ATOM 236 N SER A 66 0.194 -8.850 -2.465 1.00 0.00 N ATOM 237 CA SER A 66 -0.630 -10.051 -2.569 1.00 0.00 C ATOM 238 C SER A 66 -1.951 -9.732 -3.262 1.00 0.00 C ATOM 239 O SER A 66 -2.258 -10.274 -4.323 1.00 0.00 O ATOM 240 CB SER A 66 -0.920 -10.625 -1.183 1.00 0.00 C ATOM 241 OG SER A 66 -1.034 -12.038 -1.274 1.00 0.00 O ATOM 0 H SER A 66 -0.035 -8.242 -1.678 1.00 0.00 H new ATOM 0 HA SER A 66 -0.079 -10.786 -3.156 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.121 -10.357 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.842 -10.199 -0.786 1.00 0.00 H new ATOM 0 HG SER A 66 -1.218 -12.409 -0.386 1.00 0.00 H new ATOM 247 N LYS A 67 -2.732 -8.846 -2.646 1.00 0.00 N ATOM 248 CA LYS A 67 -4.024 -8.462 -3.213 1.00 0.00 C ATOM 249 C LYS A 67 -4.366 -7.025 -2.832 1.00 0.00 C ATOM 250 O LYS A 67 -4.036 -6.562 -1.741 1.00 0.00 O ATOM 251 CB LYS A 67 -5.137 -9.386 -2.704 1.00 0.00 C ATOM 252 CG LYS A 67 -4.710 -10.848 -2.858 1.00 0.00 C ATOM 253 CD LYS A 67 -5.916 -11.764 -2.625 1.00 0.00 C ATOM 254 CE LYS A 67 -6.274 -11.782 -1.135 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.477 -10.948 -0.855 1.00 0.00 N ATOM 0 H LYS A 67 -2.498 -8.386 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.950 -8.548 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.352 -9.169 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.056 -9.205 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.301 -11.015 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.919 -11.083 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.768 -11.415 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.688 -12.774 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.458 -12.808 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.430 -11.413 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.693 -10.981 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.291 -9.965 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.287 -11.316 -1.393 1.00 0.00 H new ATOM 269 N ILE A 68 -5.039 -6.328 -3.744 1.00 0.00 N ATOM 270 CA ILE A 68 -5.429 -4.942 -3.495 1.00 0.00 C ATOM 271 C ILE A 68 -6.877 -4.883 -3.017 1.00 0.00 C ATOM 272 O ILE A 68 -7.772 -5.462 -3.632 1.00 0.00 O ATOM 273 CB ILE A 68 -5.284 -4.105 -4.768 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.873 -4.283 -5.337 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.516 -2.628 -4.441 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.822 -3.719 -6.758 1.00 0.00 C ATOM 0 H ILE A 68 -5.323 -6.694 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.773 -4.536 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.019 -4.434 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.147 -3.772 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.602 -5.339 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.412 -2.034 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.519 -2.498 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.782 -2.298 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.818 -3.845 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.537 -4.250 -7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.075 -2.659 -6.738 1.00 0.00 H new ATOM 288 N LEU A 69 -7.094 -4.181 -1.909 1.00 0.00 N ATOM 289 CA LEU A 69 -8.438 -4.057 -1.350 1.00 0.00 C ATOM 290 C LEU A 69 -9.087 -2.746 -1.784 1.00 0.00 C ATOM 291 O LEU A 69 -10.261 -2.712 -2.150 1.00 0.00 O ATOM 292 CB LEU A 69 -8.388 -4.104 0.178 1.00 0.00 C ATOM 293 CG LEU A 69 -8.160 -5.490 0.785 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.597 -5.342 2.200 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.492 -6.244 0.844 1.00 0.00 C ATOM 0 H LEU A 69 -6.367 -3.694 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.031 -4.892 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.593 -3.441 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.324 -3.705 0.568 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.452 -6.045 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.435 -6.329 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.650 -4.803 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.304 -4.788 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.332 -7.232 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.198 -5.688 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.895 -6.350 -0.163 1.00 0.00 H new ATOM 307 N VAL A 70 -8.312 -1.666 -1.734 1.00 0.00 N ATOM 308 CA VAL A 70 -8.831 -0.357 -2.120 1.00 0.00 C ATOM 309 C VAL A 70 -8.313 0.046 -3.497 1.00 0.00 C ATOM 310 O VAL A 70 -7.183 -0.269 -3.871 1.00 0.00 O ATOM 311 CB VAL A 70 -8.421 0.708 -1.100 1.00 0.00 C ATOM 312 CG1 VAL A 70 -9.044 0.376 0.256 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.896 0.735 -0.966 1.00 0.00 C ATOM 0 H VAL A 70 -7.337 -1.669 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.918 -0.429 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.771 1.684 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.754 1.133 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.130 0.359 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.693 -0.601 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.608 1.494 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.543 -0.240 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.450 0.970 -1.932 1.00 0.00 H new ATOM 323 N LYS A 71 -9.156 0.753 -4.241 1.00 0.00 N ATOM 324 CA LYS A 71 -8.787 1.209 -5.576 1.00 0.00 C ATOM 325 C LYS A 71 -9.243 2.650 -5.778 1.00 0.00 C ATOM 326 O LYS A 71 -10.097 3.152 -5.049 1.00 0.00 O ATOM 327 CB LYS A 71 -9.432 0.324 -6.646 1.00 0.00 C ATOM 328 CG LYS A 71 -10.939 0.232 -6.395 1.00 0.00 C ATOM 329 CD LYS A 71 -11.565 -0.751 -7.387 1.00 0.00 C ATOM 330 CE LYS A 71 -12.708 -1.506 -6.707 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.479 -2.324 -7.687 1.00 0.00 N ATOM 0 H LYS A 71 -10.094 1.022 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.703 1.149 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.243 0.737 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.988 -0.671 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.128 -0.097 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.397 1.215 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.938 -0.215 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.812 -1.454 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.306 -2.153 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.375 -0.796 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.247 -2.823 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.883 -1.702 -8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.846 -3.017 -8.134 1.00 0.00 H new ATOM 345 N GLU A 72 -8.663 3.312 -6.777 1.00 0.00 N ATOM 346 CA GLU A 72 -9.019 4.703 -7.066 1.00 0.00 C ATOM 347 C GLU A 72 -10.517 4.834 -7.335 1.00 0.00 C ATOM 348 O GLU A 72 -11.018 4.404 -8.373 1.00 0.00 O ATOM 349 CB GLU A 72 -8.246 5.226 -8.282 1.00 0.00 C ATOM 350 CG GLU A 72 -8.317 4.212 -9.436 1.00 0.00 C ATOM 351 CD GLU A 72 -9.002 4.845 -10.644 1.00 0.00 C ATOM 352 OE1 GLU A 72 -10.053 5.436 -10.463 1.00 0.00 O ATOM 353 OE2 GLU A 72 -8.464 4.729 -11.734 1.00 0.00 O ATOM 0 H GLU A 72 -7.954 2.916 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.754 5.296 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.662 6.181 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.206 5.406 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.313 3.885 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.866 3.325 -9.119 1.00 0.00 H new ATOM 360 N GLY A 73 -11.221 5.429 -6.378 1.00 0.00 N ATOM 361 CA GLY A 73 -12.664 5.613 -6.504 1.00 0.00 C ATOM 362 C GLY A 73 -13.358 5.360 -5.170 1.00 0.00 C ATOM 363 O GLY A 73 -14.388 5.962 -4.866 1.00 0.00 O ATOM 0 H GLY A 73 -10.820 5.790 -5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.878 6.626 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.058 4.933 -7.259 1.00 0.00 H new ATOM 367 N ASP A 74 -12.779 4.465 -4.373 1.00 0.00 N ATOM 368 CA ASP A 74 -13.348 4.140 -3.069 1.00 0.00 C ATOM 369 C ASP A 74 -12.621 4.905 -1.967 1.00 0.00 C ATOM 370 O ASP A 74 -11.449 5.255 -2.106 1.00 0.00 O ATOM 371 CB ASP A 74 -13.231 2.640 -2.792 1.00 0.00 C ATOM 372 CG ASP A 74 -14.268 1.887 -3.618 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.370 1.707 -3.128 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.944 1.501 -4.729 1.00 0.00 O ATOM 0 H ASP A 74 -11.925 3.957 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.400 4.426 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.229 2.291 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.383 2.443 -1.731 1.00 0.00 H new ATOM 379 N THR A 75 -13.329 5.160 -0.872 1.00 0.00 N ATOM 380 CA THR A 75 -12.741 5.885 0.250 1.00 0.00 C ATOM 381 C THR A 75 -12.235 4.910 1.308 1.00 0.00 C ATOM 382 O THR A 75 -12.761 3.808 1.461 1.00 0.00 O ATOM 383 CB THR A 75 -13.772 6.819 0.886 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.677 7.272 -0.111 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.058 8.017 1.514 1.00 0.00 C ATOM 0 H THR A 75 -14.300 4.879 -0.737 1.00 0.00 H new ATOM 0 HA THR A 75 -11.907 6.473 -0.132 1.00 0.00 H new ATOM 0 HB THR A 75 -14.322 6.282 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.339 7.869 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.793 8.682 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.365 7.667 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.506 8.556 0.744 1.00 0.00 H new ATOM 393 N VAL A 76 -11.205 5.331 2.037 1.00 0.00 N ATOM 394 CA VAL A 76 -10.629 4.488 3.081 1.00 0.00 C ATOM 395 C VAL A 76 -10.550 5.252 4.398 1.00 0.00 C ATOM 396 O VAL A 76 -10.765 6.462 4.446 1.00 0.00 O ATOM 397 CB VAL A 76 -9.223 4.031 2.687 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.310 3.094 1.483 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.374 5.251 2.322 1.00 0.00 C ATOM 0 H VAL A 76 -10.756 6.240 1.927 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.273 3.617 3.202 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.764 3.505 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.308 2.768 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.915 2.225 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.769 3.619 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.372 4.926 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.833 5.776 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.311 5.920 3.180 1.00 0.00 H new ATOM 409 N LYS A 77 -10.237 4.526 5.468 1.00 0.00 N ATOM 410 CA LYS A 77 -10.130 5.142 6.788 1.00 0.00 C ATOM 411 C LYS A 77 -8.846 4.697 7.480 1.00 0.00 C ATOM 412 O LYS A 77 -8.315 3.622 7.202 1.00 0.00 O ATOM 413 CB LYS A 77 -11.327 4.756 7.659 1.00 0.00 C ATOM 414 CG LYS A 77 -12.623 5.173 6.958 1.00 0.00 C ATOM 415 CD LYS A 77 -12.791 6.691 7.055 1.00 0.00 C ATOM 416 CE LYS A 77 -13.597 7.037 8.308 1.00 0.00 C ATOM 417 NZ LYS A 77 -13.441 8.473 8.676 1.00 0.00 N ATOM 0 H LYS A 77 -10.055 3.523 5.449 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.115 6.224 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.328 3.681 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.254 5.242 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.599 4.865 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.475 4.672 7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.814 7.174 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.299 7.069 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.651 6.816 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.270 6.410 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.000 8.675 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.438 8.677 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.776 9.070 7.893 1.00 0.00 H new ATOM 431 N ALA A 78 -8.354 5.539 8.384 1.00 0.00 N ATOM 432 CA ALA A 78 -7.126 5.229 9.114 1.00 0.00 C ATOM 433 C ALA A 78 -7.294 3.948 9.927 1.00 0.00 C ATOM 434 O ALA A 78 -7.942 3.939 10.973 1.00 0.00 O ATOM 435 CB ALA A 78 -6.766 6.375 10.061 1.00 0.00 C ATOM 0 H ALA A 78 -8.781 6.433 8.628 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.327 5.093 8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.849 6.129 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.616 7.289 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.576 6.525 10.775 1.00 0.00 H new ATOM 441 N GLY A 79 -6.697 2.866 9.432 1.00 0.00 N ATOM 442 CA GLY A 79 -6.782 1.581 10.120 1.00 0.00 C ATOM 443 C GLY A 79 -7.293 0.494 9.180 1.00 0.00 C ATOM 444 O GLY A 79 -6.886 -0.665 9.269 1.00 0.00 O ATOM 0 H GLY A 79 -6.156 2.853 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.800 1.304 10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.447 1.667 10.979 1.00 0.00 H new ATOM 448 N GLN A 80 -8.192 0.879 8.279 1.00 0.00 N ATOM 449 CA GLN A 80 -8.757 -0.072 7.325 1.00 0.00 C ATOM 450 C GLN A 80 -7.673 -0.600 6.391 1.00 0.00 C ATOM 451 O GLN A 80 -6.794 0.142 5.953 1.00 0.00 O ATOM 452 CB GLN A 80 -9.851 0.596 6.489 1.00 0.00 C ATOM 453 CG GLN A 80 -10.711 -0.478 5.822 1.00 0.00 C ATOM 454 CD GLN A 80 -11.462 0.131 4.643 1.00 0.00 C ATOM 455 OE1 GLN A 80 -11.533 -0.465 3.569 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.033 1.297 4.782 1.00 0.00 N ATOM 0 H GLN A 80 -8.543 1.833 8.189 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.185 -0.900 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.470 1.231 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.403 1.240 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.083 -1.301 5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.417 -0.892 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.974 1.791 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.538 1.714 4.000 1.00 0.00 H new ATOM 465 N THR A 81 -7.748 -1.895 6.090 1.00 0.00 N ATOM 466 CA THR A 81 -6.769 -2.518 5.204 1.00 0.00 C ATOM 467 C THR A 81 -6.917 -1.976 3.786 1.00 0.00 C ATOM 468 O THR A 81 -8.027 -1.825 3.276 1.00 0.00 O ATOM 469 CB THR A 81 -6.955 -4.037 5.180 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.082 -4.518 6.511 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.743 -4.690 4.513 1.00 0.00 C ATOM 0 H THR A 81 -8.468 -2.526 6.442 1.00 0.00 H new ATOM 0 HA THR A 81 -5.774 -2.283 5.583 1.00 0.00 H new ATOM 0 HB THR A 81 -7.855 -4.285 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.203 -5.490 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.876 -5.772 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.646 -4.320 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.842 -4.444 5.075 1.00 0.00 H new ATOM 479 N VAL A 82 -5.783 -1.681 3.157 1.00 0.00 N ATOM 480 CA VAL A 82 -5.793 -1.149 1.797 1.00 0.00 C ATOM 481 C VAL A 82 -5.191 -2.151 0.811 1.00 0.00 C ATOM 482 O VAL A 82 -5.549 -2.173 -0.366 1.00 0.00 O ATOM 483 CB VAL A 82 -5.007 0.169 1.728 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.635 1.182 2.688 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.538 -0.066 2.120 1.00 0.00 C ATOM 0 H VAL A 82 -4.854 -1.799 3.562 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.832 -0.965 1.522 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.043 0.553 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.080 2.119 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.672 1.360 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.601 0.790 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.992 0.876 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.491 -0.456 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.089 -0.785 1.434 1.00 0.00 H new ATOM 495 N LEU A 83 -4.265 -2.975 1.300 1.00 0.00 N ATOM 496 CA LEU A 83 -3.619 -3.963 0.441 1.00 0.00 C ATOM 497 C LEU A 83 -2.911 -5.027 1.274 1.00 0.00 C ATOM 498 O LEU A 83 -2.401 -4.750 2.359 1.00 0.00 O ATOM 499 CB LEU A 83 -2.597 -3.275 -0.467 1.00 0.00 C ATOM 500 CG LEU A 83 -1.778 -4.205 -1.370 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.479 -3.504 -2.701 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.460 -4.560 -0.674 1.00 0.00 C ATOM 0 H LEU A 83 -3.950 -2.979 2.270 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.389 -4.442 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.123 -2.558 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.908 -2.706 0.158 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.348 -5.114 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.897 -4.169 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.416 -3.252 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.912 -2.593 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.123 -5.221 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.106 -3.649 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.671 -5.063 0.270 1.00 0.00 H new ATOM 514 N VAL A 84 -2.879 -6.250 0.747 1.00 0.00 N ATOM 515 CA VAL A 84 -2.223 -7.355 1.442 1.00 0.00 C ATOM 516 C VAL A 84 -0.825 -7.572 0.872 1.00 0.00 C ATOM 517 O VAL A 84 -0.632 -7.592 -0.342 1.00 0.00 O ATOM 518 CB VAL A 84 -3.031 -8.646 1.287 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.434 -9.733 2.186 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.485 -8.395 1.694 1.00 0.00 C ATOM 0 H VAL A 84 -3.295 -6.499 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.156 -7.100 2.500 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.996 -8.970 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.009 -10.652 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.399 -9.916 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.469 -9.405 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.058 -9.316 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.521 -8.069 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.913 -7.622 1.056 1.00 0.00 H new ATOM 530 N LEU A 85 0.150 -7.731 1.763 1.00 0.00 N ATOM 531 CA LEU A 85 1.530 -7.940 1.333 1.00 0.00 C ATOM 532 C LEU A 85 2.022 -9.320 1.763 1.00 0.00 C ATOM 533 O LEU A 85 1.386 -10.001 2.568 1.00 0.00 O ATOM 534 CB LEU A 85 2.443 -6.864 1.929 1.00 0.00 C ATOM 535 CG LEU A 85 3.491 -6.293 0.971 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.851 -5.209 0.103 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.641 -5.686 1.777 1.00 0.00 C ATOM 0 H LEU A 85 0.014 -7.720 2.774 1.00 0.00 H new ATOM 0 HA LEU A 85 1.560 -7.874 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.823 -6.045 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.956 -7.284 2.794 1.00 0.00 H new ATOM 0 HG LEU A 85 3.874 -7.090 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.597 -4.802 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.031 -5.640 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.469 -4.411 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.388 -5.279 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.258 -4.888 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.098 -6.457 2.397 1.00 0.00 H new ATOM 549 N GLU A 86 3.165 -9.723 1.214 1.00 0.00 N ATOM 550 CA GLU A 86 3.742 -11.022 1.543 1.00 0.00 C ATOM 551 C GLU A 86 5.245 -10.897 1.768 1.00 0.00 C ATOM 552 O GLU A 86 6.009 -10.648 0.834 1.00 0.00 O ATOM 553 CB GLU A 86 3.489 -12.022 0.413 1.00 0.00 C ATOM 554 CG GLU A 86 2.001 -12.378 0.370 1.00 0.00 C ATOM 555 CD GLU A 86 1.817 -13.706 -0.357 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.363 -13.848 -1.439 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.132 -14.562 0.180 1.00 0.00 O ATOM 0 H GLU A 86 3.705 -9.174 0.545 1.00 0.00 H new ATOM 0 HA GLU A 86 3.267 -11.379 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.799 -11.595 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.085 -12.921 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.603 -12.447 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.443 -11.592 -0.139 1.00 0.00 H new ATOM 630 N GLU A 91 1.850 -13.343 5.313 1.00 0.00 N ATOM 631 CA GLU A 91 1.010 -12.299 4.732 1.00 0.00 C ATOM 632 C GLU A 91 0.841 -11.147 5.716 1.00 0.00 C ATOM 633 O GLU A 91 0.453 -11.345 6.867 1.00 0.00 O ATOM 634 CB GLU A 91 -0.370 -12.856 4.376 1.00 0.00 C ATOM 635 CG GLU A 91 -0.342 -13.424 2.956 1.00 0.00 C ATOM 636 CD GLU A 91 -1.559 -14.317 2.741 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.595 -13.792 2.372 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.435 -15.514 2.947 1.00 0.00 O ATOM 0 HA GLU A 91 1.499 -11.938 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.653 -13.634 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.121 -12.069 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.340 -12.612 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.573 -13.995 2.799 1.00 0.00 H new ATOM 645 N THR A 92 1.140 -9.937 5.250 1.00 0.00 N ATOM 646 CA THR A 92 1.020 -8.754 6.097 1.00 0.00 C ATOM 647 C THR A 92 -0.044 -7.809 5.547 1.00 0.00 C ATOM 648 O THR A 92 -0.024 -7.445 4.371 1.00 0.00 O ATOM 649 CB THR A 92 2.356 -8.012 6.173 1.00 0.00 C ATOM 650 OG1 THR A 92 3.397 -8.942 6.438 1.00 0.00 O ATOM 651 CG2 THR A 92 2.301 -6.970 7.290 1.00 0.00 C ATOM 0 H THR A 92 1.464 -9.751 4.301 1.00 0.00 H new ATOM 0 HA THR A 92 0.731 -9.083 7.095 1.00 0.00 H new ATOM 0 HB THR A 92 2.549 -7.511 5.224 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.254 -8.469 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.253 -6.442 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.502 -6.257 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.108 -7.466 8.241 1.00 0.00 H new ATOM 659 N GLU A 93 -0.974 -7.419 6.413 1.00 0.00 N ATOM 660 CA GLU A 93 -2.047 -6.515 6.008 1.00 0.00 C ATOM 661 C GLU A 93 -1.591 -5.064 6.118 1.00 0.00 C ATOM 662 O GLU A 93 -1.009 -4.655 7.123 1.00 0.00 O ATOM 663 CB GLU A 93 -3.280 -6.717 6.892 1.00 0.00 C ATOM 664 CG GLU A 93 -4.015 -7.988 6.462 1.00 0.00 C ATOM 665 CD GLU A 93 -5.505 -7.838 6.753 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.832 -7.302 7.799 1.00 0.00 O ATOM 667 OE2 GLU A 93 -6.296 -8.260 5.926 1.00 0.00 O ATOM 0 H GLU A 93 -1.008 -7.711 7.390 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.302 -6.739 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.982 -6.793 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.943 -5.856 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.858 -8.169 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.615 -8.850 6.995 1.00 0.00 H new ATOM 674 N ILE A 94 -1.866 -4.289 5.073 1.00 0.00 N ATOM 675 CA ILE A 94 -1.482 -2.879 5.061 1.00 0.00 C ATOM 676 C ILE A 94 -2.694 -2.000 5.352 1.00 0.00 C ATOM 677 O ILE A 94 -3.670 -1.998 4.605 1.00 0.00 O ATOM 678 CB ILE A 94 -0.900 -2.492 3.696 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.211 -3.481 3.302 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.328 -1.073 3.764 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.337 -3.468 4.345 1.00 0.00 C ATOM 0 H ILE A 94 -2.348 -4.607 4.232 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.726 -2.727 5.832 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.691 -2.527 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.202 -4.486 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.611 -3.217 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.085 -0.800 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.120 -0.374 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.459 -1.034 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.114 -4.173 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.762 -2.466 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.936 -3.755 5.317 1.00 0.00 H new ATOM 693 N ASN A 95 -2.619 -1.251 6.449 1.00 0.00 N ATOM 694 CA ASN A 95 -3.718 -0.370 6.834 1.00 0.00 C ATOM 695 C ASN A 95 -3.370 1.081 6.516 1.00 0.00 C ATOM 696 O ASN A 95 -2.220 1.500 6.642 1.00 0.00 O ATOM 697 CB ASN A 95 -4.010 -0.497 8.330 1.00 0.00 C ATOM 698 CG ASN A 95 -2.728 -0.262 9.121 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.913 -1.171 9.279 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.500 0.915 9.635 1.00 0.00 N ATOM 0 H ASN A 95 -1.818 -1.236 7.081 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.601 -0.666 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.770 0.226 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.409 -1.487 8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.646 1.082 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.175 1.668 9.504 1.00 0.00 H new ATOM 707 N ALA A 96 -4.379 1.843 6.100 1.00 0.00 N ATOM 708 CA ALA A 96 -4.172 3.250 5.764 1.00 0.00 C ATOM 709 C ALA A 96 -3.650 4.023 6.981 1.00 0.00 C ATOM 710 O ALA A 96 -4.094 3.789 8.106 1.00 0.00 O ATOM 711 CB ALA A 96 -5.483 3.886 5.296 1.00 0.00 C ATOM 0 H ALA A 96 -5.338 1.515 5.988 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.436 3.298 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.311 4.934 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.847 3.361 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.225 3.817 6.091 1.00 0.00 H new ATOM 717 N PRO A 97 -2.703 4.951 6.777 1.00 0.00 N ATOM 718 CA PRO A 97 -2.136 5.746 7.876 1.00 0.00 C ATOM 719 C PRO A 97 -3.111 6.803 8.391 1.00 0.00 C ATOM 720 O PRO A 97 -3.128 7.128 9.578 1.00 0.00 O ATOM 721 CB PRO A 97 -0.911 6.412 7.256 1.00 0.00 C ATOM 722 CG PRO A 97 -1.197 6.472 5.795 1.00 0.00 C ATOM 723 CD PRO A 97 -2.100 5.313 5.479 1.00 0.00 C ATOM 0 HA PRO A 97 -1.902 5.124 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.754 7.409 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.007 5.838 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.675 7.416 5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.274 6.411 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.862 5.590 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.542 4.479 5.054 1.00 0.00 H new ATOM 731 N THR A 98 -3.922 7.335 7.480 1.00 0.00 N ATOM 732 CA THR A 98 -4.900 8.356 7.848 1.00 0.00 C ATOM 733 C THR A 98 -6.142 8.240 6.973 1.00 0.00 C ATOM 734 O THR A 98 -6.123 7.600 5.922 1.00 0.00 O ATOM 735 CB THR A 98 -4.301 9.755 7.681 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.928 9.950 6.325 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.069 9.894 8.576 1.00 0.00 C ATOM 0 H THR A 98 -3.923 7.080 6.492 1.00 0.00 H new ATOM 0 HA THR A 98 -5.174 8.201 8.892 1.00 0.00 H new ATOM 0 HB THR A 98 -5.040 10.504 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.546 10.846 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.643 10.890 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.357 9.745 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.328 9.146 8.294 1.00 0.00 H new ATOM 745 N ASP A 99 -7.227 8.869 7.418 1.00 0.00 N ATOM 746 CA ASP A 99 -8.478 8.833 6.667 1.00 0.00 C ATOM 747 C ASP A 99 -8.340 9.607 5.361 1.00 0.00 C ATOM 748 O ASP A 99 -7.675 10.642 5.302 1.00 0.00 O ATOM 749 CB ASP A 99 -9.617 9.441 7.488 1.00 0.00 C ATOM 750 CG ASP A 99 -9.215 10.834 7.963 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.373 11.769 7.194 1.00 0.00 O ATOM 752 OD2 ASP A 99 -8.758 10.945 9.088 1.00 0.00 O ATOM 0 H ASP A 99 -7.266 9.404 8.285 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.706 7.790 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.523 9.498 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.843 8.805 8.344 1.00 0.00 H new ATOM 757 N GLY A 100 -8.976 9.092 4.314 1.00 0.00 N ATOM 758 CA GLY A 100 -8.921 9.740 3.007 1.00 0.00 C ATOM 759 C GLY A 100 -9.549 8.853 1.938 1.00 0.00 C ATOM 760 O GLY A 100 -10.327 7.948 2.241 1.00 0.00 O ATOM 0 H GLY A 100 -9.531 8.236 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.444 10.695 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.885 9.955 2.746 1.00 0.00 H new ATOM 764 N LYS A 101 -9.203 9.123 0.683 1.00 0.00 N ATOM 765 CA LYS A 101 -9.740 8.344 -0.430 1.00 0.00 C ATOM 766 C LYS A 101 -8.638 8.012 -1.431 1.00 0.00 C ATOM 767 O LYS A 101 -7.762 8.832 -1.708 1.00 0.00 O ATOM 768 CB LYS A 101 -10.845 9.122 -1.146 1.00 0.00 C ATOM 769 CG LYS A 101 -11.588 8.190 -2.104 1.00 0.00 C ATOM 770 CD LYS A 101 -12.087 8.989 -3.310 1.00 0.00 C ATOM 771 CE LYS A 101 -13.436 9.629 -2.976 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.779 10.708 -3.945 1.00 0.00 N ATOM 0 H LYS A 101 -8.560 9.867 0.412 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.152 7.420 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.540 9.541 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.416 9.960 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.927 7.388 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.428 7.720 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.363 9.759 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.187 8.335 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.215 8.867 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.406 10.040 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.699 11.122 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.047 11.446 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.831 10.310 -4.904 1.00 0.00 H new ATOM 786 N VAL A 102 -8.696 6.800 -1.974 1.00 0.00 N ATOM 787 CA VAL A 102 -7.701 6.360 -2.950 1.00 0.00 C ATOM 788 C VAL A 102 -7.910 7.080 -4.279 1.00 0.00 C ATOM 789 O VAL A 102 -9.004 7.066 -4.843 1.00 0.00 O ATOM 790 CB VAL A 102 -7.806 4.849 -3.176 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.643 4.377 -4.052 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.751 4.125 -1.828 1.00 0.00 C ATOM 0 H VAL A 102 -9.415 6.109 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.712 6.599 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.750 4.625 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.720 3.301 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.680 4.890 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.699 4.603 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.826 3.050 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.808 4.353 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.580 4.457 -1.203 1.00 0.00 H new ATOM 802 N GLU A 103 -6.849 7.714 -4.770 1.00 0.00 N ATOM 803 CA GLU A 103 -6.926 8.441 -6.035 1.00 0.00 C ATOM 804 C GLU A 103 -6.282 7.637 -7.162 1.00 0.00 C ATOM 805 O GLU A 103 -6.690 7.731 -8.321 1.00 0.00 O ATOM 806 CB GLU A 103 -6.223 9.796 -5.922 1.00 0.00 C ATOM 807 CG GLU A 103 -4.808 9.598 -5.375 1.00 0.00 C ATOM 808 CD GLU A 103 -4.013 10.887 -5.545 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.450 11.078 -6.611 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.977 11.666 -4.607 1.00 0.00 O ATOM 0 H GLU A 103 -5.935 7.740 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.980 8.598 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.182 10.278 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.788 10.456 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.849 9.320 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.314 8.781 -5.901 1.00 0.00 H new ATOM 817 N LYS A 104 -5.269 6.849 -6.813 1.00 0.00 N ATOM 818 CA LYS A 104 -4.572 6.036 -7.808 1.00 0.00 C ATOM 819 C LYS A 104 -3.733 4.957 -7.130 1.00 0.00 C ATOM 820 O LYS A 104 -3.084 5.203 -6.114 1.00 0.00 O ATOM 821 CB LYS A 104 -3.649 6.913 -8.662 1.00 0.00 C ATOM 822 CG LYS A 104 -3.537 6.327 -10.077 1.00 0.00 C ATOM 823 CD LYS A 104 -2.070 6.313 -10.518 1.00 0.00 C ATOM 824 CE LYS A 104 -1.745 7.613 -11.256 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.372 7.579 -11.839 1.00 0.00 N ATOM 0 H LYS A 104 -4.915 6.755 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.325 5.567 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.040 7.930 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.662 6.972 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.941 5.315 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.130 6.919 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.420 6.203 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.883 5.458 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.475 7.775 -12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.829 8.454 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.182 8.475 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.325 7.448 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.301 6.790 -12.513 1.00 0.00 H new ATOM 839 N VAL A 105 -3.752 3.760 -7.709 1.00 0.00 N ATOM 840 CA VAL A 105 -2.986 2.646 -7.157 1.00 0.00 C ATOM 841 C VAL A 105 -1.770 2.359 -8.034 1.00 0.00 C ATOM 842 O VAL A 105 -1.897 1.854 -9.149 1.00 0.00 O ATOM 843 CB VAL A 105 -3.848 1.384 -7.073 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.085 0.290 -6.321 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.147 1.701 -6.328 1.00 0.00 C ATOM 0 H VAL A 105 -4.283 3.537 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.661 2.925 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.080 1.038 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.700 -0.608 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.160 0.062 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.851 0.636 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.761 0.802 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.914 2.049 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.693 2.478 -6.863 1.00 0.00 H new ATOM 855 N LEU A 106 -0.591 2.686 -7.515 1.00 0.00 N ATOM 856 CA LEU A 106 0.645 2.457 -8.259 1.00 0.00 C ATOM 857 C LEU A 106 1.067 0.996 -8.147 1.00 0.00 C ATOM 858 O LEU A 106 1.664 0.434 -9.066 1.00 0.00 O ATOM 859 CB LEU A 106 1.769 3.343 -7.721 1.00 0.00 C ATOM 860 CG LEU A 106 1.373 4.785 -7.395 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.305 5.340 -6.316 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.490 5.644 -8.657 1.00 0.00 C ATOM 0 H LEU A 106 -0.464 3.105 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 106 0.460 2.705 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.171 2.882 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.575 3.363 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 106 0.345 4.805 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.023 6.367 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.224 4.730 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.333 5.319 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.208 6.671 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.518 5.623 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.827 5.251 -9.428 1.00 0.00 H new ATOM 874 N VAL A 107 0.750 0.386 -7.008 1.00 0.00 N ATOM 875 CA VAL A 107 1.100 -1.013 -6.779 1.00 0.00 C ATOM 876 C VAL A 107 0.105 -1.934 -7.479 1.00 0.00 C ATOM 877 O VAL A 107 -1.076 -1.613 -7.606 1.00 0.00 O ATOM 878 CB VAL A 107 1.100 -1.325 -5.281 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.204 -0.522 -4.593 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.256 -0.944 -4.681 1.00 0.00 C ATOM 0 H VAL A 107 0.256 0.833 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 107 2.097 -1.181 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 107 1.278 -2.390 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.204 -0.744 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.170 -0.792 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.026 0.543 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.257 -1.166 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.434 0.121 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.044 -1.515 -5.171 1.00 0.00 H new ATOM 890 N LYS A 108 0.597 -3.084 -7.927 1.00 0.00 N ATOM 891 CA LYS A 108 -0.256 -4.052 -8.611 1.00 0.00 C ATOM 892 C LYS A 108 -0.115 -5.426 -7.964 1.00 0.00 C ATOM 893 O LYS A 108 0.824 -5.679 -7.210 1.00 0.00 O ATOM 894 CB LYS A 108 0.125 -4.155 -10.089 1.00 0.00 C ATOM 895 CG LYS A 108 -0.264 -2.862 -10.809 1.00 0.00 C ATOM 896 CD LYS A 108 -0.581 -3.167 -12.274 1.00 0.00 C ATOM 897 CE LYS A 108 -0.561 -1.869 -13.083 1.00 0.00 C ATOM 898 NZ LYS A 108 0.824 -1.509 -13.500 1.00 0.00 N ATOM 0 H LYS A 108 1.572 -3.368 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.288 -3.712 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.196 -4.330 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.381 -5.005 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.130 -2.411 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.549 -2.139 -10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.149 -3.870 -12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.559 -3.642 -12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.191 -1.979 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.985 -1.061 -12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.803 -0.624 -14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.418 -1.381 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.218 -2.270 -14.089 1.00 0.00 H new ATOM 912 N GLU A 109 -1.060 -6.311 -8.264 1.00 0.00 N ATOM 913 CA GLU A 109 -1.029 -7.658 -7.704 1.00 0.00 C ATOM 914 C GLU A 109 0.178 -8.426 -8.233 1.00 0.00 C ATOM 915 O GLU A 109 0.553 -8.293 -9.398 1.00 0.00 O ATOM 916 CB GLU A 109 -2.305 -8.420 -8.067 1.00 0.00 C ATOM 917 CG GLU A 109 -3.476 -7.875 -7.246 1.00 0.00 C ATOM 918 CD GLU A 109 -4.772 -8.050 -8.030 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.922 -9.080 -8.666 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.596 -7.152 -7.982 1.00 0.00 O ATOM 0 H GLU A 109 -1.848 -6.124 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.957 -7.570 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.514 -8.315 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.174 -9.484 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.541 -8.400 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.315 -6.821 -7.019 1.00 0.00 H new ATOM 927 N ARG A 110 0.780 -9.232 -7.363 1.00 0.00 N ATOM 928 CA ARG A 110 1.948 -10.027 -7.745 1.00 0.00 C ATOM 929 C ARG A 110 3.118 -9.119 -8.118 1.00 0.00 C ATOM 930 O ARG A 110 3.881 -9.409 -9.039 1.00 0.00 O ATOM 931 CB ARG A 110 1.617 -10.938 -8.933 1.00 0.00 C ATOM 932 CG ARG A 110 2.372 -12.267 -8.795 1.00 0.00 C ATOM 933 CD ARG A 110 3.581 -12.287 -9.739 1.00 0.00 C ATOM 934 NE ARG A 110 3.400 -13.291 -10.783 1.00 0.00 N ATOM 935 CZ ARG A 110 4.054 -14.449 -10.741 1.00 0.00 C ATOM 936 NH1 ARG A 110 5.321 -14.472 -10.433 1.00 0.00 N ATOM 937 NH2 ARG A 110 3.426 -15.561 -11.009 1.00 0.00 N ATOM 0 H ARG A 110 0.483 -9.353 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 110 2.228 -10.641 -6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.543 -11.122 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.893 -10.448 -9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.703 -12.401 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.706 -13.098 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.713 -11.304 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.488 -12.502 -9.173 1.00 0.00 H new ATOM 0 HE ARG A 110 2.762 -13.102 -11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.811 -13.602 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.822 -15.360 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.435 -15.542 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.926 -16.449 -10.977 1.00 0.00 H new ATOM 951 N ASP A 111 3.256 -8.016 -7.386 1.00 0.00 N ATOM 952 CA ASP A 111 4.342 -7.074 -7.644 1.00 0.00 C ATOM 953 C ASP A 111 5.205 -6.903 -6.397 1.00 0.00 C ATOM 954 O ASP A 111 4.733 -7.065 -5.271 1.00 0.00 O ATOM 955 CB ASP A 111 3.790 -5.708 -8.055 1.00 0.00 C ATOM 956 CG ASP A 111 3.175 -5.807 -9.447 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.529 -6.806 -9.719 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.359 -4.882 -10.221 1.00 0.00 O ATOM 0 H ASP A 111 2.637 -7.754 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 111 4.946 -7.478 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 111 3.040 -5.376 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.587 -4.965 -8.050 1.00 0.00 H new ATOM 963 N ALA A 112 6.475 -6.576 -6.612 1.00 0.00 N ATOM 964 CA ALA A 112 7.402 -6.386 -5.500 1.00 0.00 C ATOM 965 C ALA A 112 7.411 -4.926 -5.056 1.00 0.00 C ATOM 966 O ALA A 112 7.471 -4.013 -5.878 1.00 0.00 O ATOM 967 CB ALA A 112 8.819 -6.790 -5.908 1.00 0.00 C ATOM 0 H ALA A 112 6.884 -6.438 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 112 7.069 -7.015 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.496 -6.642 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.828 -7.840 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.145 -6.177 -6.748 1.00 0.00 H new ATOM 973 N VAL A 113 7.352 -4.718 -3.743 1.00 0.00 N ATOM 974 CA VAL A 113 7.355 -3.365 -3.195 1.00 0.00 C ATOM 975 C VAL A 113 8.548 -3.169 -2.266 1.00 0.00 C ATOM 976 O VAL A 113 9.022 -4.113 -1.632 1.00 0.00 O ATOM 977 CB VAL A 113 6.066 -3.104 -2.413 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.873 -3.132 -3.370 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.887 -4.186 -1.345 1.00 0.00 C ATOM 0 H VAL A 113 7.302 -5.461 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 113 7.424 -2.664 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 113 6.125 -2.127 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.955 -2.946 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.998 -2.361 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.814 -4.109 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.969 -3.999 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.829 -5.164 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.736 -4.167 -0.661 1.00 0.00 H new ATOM 989 N GLN A 114 9.028 -1.932 -2.192 1.00 0.00 N ATOM 990 CA GLN A 114 10.168 -1.617 -1.335 1.00 0.00 C ATOM 991 C GLN A 114 9.694 -0.962 -0.042 1.00 0.00 C ATOM 992 O GLN A 114 8.788 -0.128 -0.048 1.00 0.00 O ATOM 993 CB GLN A 114 11.131 -0.669 -2.053 1.00 0.00 C ATOM 994 CG GLN A 114 12.107 -1.480 -2.906 1.00 0.00 C ATOM 995 CD GLN A 114 13.123 -0.543 -3.549 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.304 -0.562 -3.199 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.731 0.286 -4.478 1.00 0.00 N ATOM 0 H GLN A 114 8.651 -1.138 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 114 10.684 -2.548 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.573 0.025 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.679 -0.071 -1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.618 -2.219 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.564 -2.028 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.753 0.302 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.403 0.918 -4.914 1.00 0.00 H new ATOM 1006 N GLY A 115 10.318 -1.349 1.068 1.00 0.00 N ATOM 1007 CA GLY A 115 9.954 -0.793 2.369 1.00 0.00 C ATOM 1008 C GLY A 115 10.161 0.718 2.391 1.00 0.00 C ATOM 1009 O GLY A 115 11.249 1.205 2.697 1.00 0.00 O ATOM 0 H GLY A 115 11.070 -2.038 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.912 -1.025 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.556 -1.258 3.149 1.00 0.00 H new ATOM 1013 N GLY A 116 9.103 1.452 2.059 1.00 0.00 N ATOM 1014 CA GLY A 116 9.177 2.910 2.040 1.00 0.00 C ATOM 1015 C GLY A 116 8.572 3.472 0.756 1.00 0.00 C ATOM 1016 O GLY A 116 8.064 4.594 0.733 1.00 0.00 O ATOM 0 H GLY A 116 8.194 1.067 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.649 3.316 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.217 3.226 2.125 1.00 0.00 H new ATOM 1020 N GLN A 117 8.633 2.682 -0.315 1.00 0.00 N ATOM 1021 CA GLN A 117 8.088 3.112 -1.601 1.00 0.00 C ATOM 1022 C GLN A 117 6.594 3.400 -1.483 1.00 0.00 C ATOM 1023 O GLN A 117 5.875 2.734 -0.739 1.00 0.00 O ATOM 1024 CB GLN A 117 8.305 2.031 -2.661 1.00 0.00 C ATOM 1025 CG GLN A 117 8.010 2.608 -4.048 1.00 0.00 C ATOM 1026 CD GLN A 117 8.409 1.595 -5.115 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.275 1.868 -5.947 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.823 0.429 -5.141 1.00 0.00 N ATOM 0 H GLN A 117 9.050 1.751 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 117 8.608 4.023 -1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.331 1.666 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.655 1.178 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.950 2.847 -4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.560 3.538 -4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.106 0.203 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.082 -0.256 -5.851 1.00 0.00 H new ATOM 1037 N GLY A 118 6.137 4.403 -2.228 1.00 0.00 N ATOM 1038 CA GLY A 118 4.726 4.779 -2.202 1.00 0.00 C ATOM 1039 C GLY A 118 3.850 3.638 -2.708 1.00 0.00 C ATOM 1040 O GLY A 118 4.019 3.155 -3.828 1.00 0.00 O ATOM 0 H GLY A 118 6.716 4.965 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.435 5.043 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.570 5.664 -2.819 1.00 0.00 H new ATOM 1044 N LEU A 119 2.911 3.214 -1.869 1.00 0.00 N ATOM 1045 CA LEU A 119 2.006 2.129 -2.238 1.00 0.00 C ATOM 1046 C LEU A 119 0.781 2.681 -2.958 1.00 0.00 C ATOM 1047 O LEU A 119 0.507 2.330 -4.106 1.00 0.00 O ATOM 1048 CB LEU A 119 1.552 1.362 -0.994 1.00 0.00 C ATOM 1049 CG LEU A 119 2.639 0.544 -0.293 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.068 -0.082 0.981 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.126 -0.565 -1.229 1.00 0.00 C ATOM 0 H LEU A 119 2.756 3.600 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 119 2.544 1.453 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.140 2.074 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.742 0.690 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 119 3.473 1.197 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.843 -0.664 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.720 0.706 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.233 -0.734 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.900 -1.148 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.291 -1.216 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.534 -0.121 -2.137 1.00 0.00 H new ATOM 1063 N ILE A 120 0.048 3.554 -2.273 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.148 4.157 -2.856 1.00 0.00 C ATOM 1065 C ILE A 120 -1.260 5.620 -2.442 1.00 0.00 C ATOM 1066 O ILE A 120 -0.828 6.008 -1.357 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.407 3.413 -2.401 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.241 1.914 -2.661 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.617 3.931 -3.181 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.424 1.157 -2.055 1.00 0.00 C ATOM 0 H ILE A 120 0.258 3.858 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.062 4.089 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.559 3.582 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.185 1.724 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.307 1.560 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.513 3.401 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.740 4.998 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.462 3.763 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.306 0.089 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.459 1.337 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.351 1.504 -2.512 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.849 6.427 -3.320 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.019 7.849 -3.038 1.00 0.00 C ATOM 1084 C LYS A 121 -3.390 8.107 -2.425 1.00 0.00 C ATOM 1085 O LYS A 121 -4.411 7.641 -2.931 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.886 8.669 -4.323 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.405 8.824 -4.677 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.266 9.727 -5.904 1.00 0.00 C ATOM 1089 CE LYS A 121 1.116 10.383 -5.901 1.00 0.00 C ATOM 1090 NZ LYS A 121 2.130 9.516 -6.566 1.00 0.00 N ATOM 0 H LYS A 121 -2.213 6.125 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.242 8.149 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.416 8.177 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.344 9.649 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.139 9.251 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.036 7.848 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.402 9.144 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.043 10.491 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.065 11.344 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.423 10.584 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.007 9.517 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.765 8.545 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.326 9.881 -7.520 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.403 8.856 -1.327 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.656 9.171 -0.647 1.00 0.00 C ATOM 1106 C ILE A 122 -5.027 10.634 -0.867 1.00 0.00 C ATOM 1107 O ILE A 122 -4.160 11.504 -0.952 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.536 8.907 0.858 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.980 7.494 1.102 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.914 9.041 1.513 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.908 6.437 0.486 1.00 0.00 C ATOM 0 H ILE A 122 -2.570 9.253 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.433 8.531 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.854 9.636 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.984 7.409 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.878 7.317 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.828 8.853 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.297 10.048 1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.599 8.317 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.499 5.443 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.896 6.512 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.988 6.605 -0.588 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.328 10.894 -0.954 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.811 12.256 -1.162 1.00 0.00 C ATOM 1125 C GLY A 123 -7.831 12.636 -0.095 1.00 0.00 C ATOM 1126 O GLY A 123 -8.207 11.766 0.674 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.223 13.792 -0.062 1.00 0.00 O ATOM 0 H GLY A 123 -7.061 10.188 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.973 12.952 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.263 12.340 -2.150 1.00 0.00 H new