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 Set 1.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -80:sc= -0.595 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 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+ 175:sc= 0 (180deg=-0.0128) 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= -0.134 X(o=-0.13,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.706 9.598 -1.009 1.00 0.00 N ATOM 99 CA GLU A 56 1.781 8.144 -1.111 1.00 0.00 C ATOM 100 C GLU A 56 2.099 7.529 0.249 1.00 0.00 C ATOM 101 O GLU A 56 2.986 7.994 0.965 1.00 0.00 O ATOM 102 CB GLU A 56 2.869 7.732 -2.107 1.00 0.00 C ATOM 103 CG GLU A 56 2.603 8.393 -3.462 1.00 0.00 C ATOM 104 CD GLU A 56 3.928 8.771 -4.114 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.712 9.448 -3.470 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.140 8.378 -5.250 1.00 0.00 O ATOM 0 HA GLU A 56 0.813 7.782 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.849 8.028 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.884 6.648 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.049 7.712 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.984 9.281 -3.330 1.00 0.00 H new ATOM 113 N ILE A 57 1.367 6.474 0.594 1.00 0.00 N ATOM 114 CA ILE A 57 1.579 5.796 1.869 1.00 0.00 C ATOM 115 C ILE A 57 2.802 4.873 1.776 1.00 0.00 C ATOM 116 O ILE A 57 2.790 3.902 1.019 1.00 0.00 O ATOM 117 CB ILE A 57 0.352 4.957 2.241 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.903 5.833 2.196 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.525 4.395 3.654 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.142 4.946 2.061 1.00 0.00 C ATOM 0 H ILE A 57 0.629 6.073 0.015 1.00 0.00 H new ATOM 0 HA ILE A 57 1.744 6.554 2.635 1.00 0.00 H new ATOM 0 HB ILE A 57 0.249 4.136 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.971 6.435 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.846 6.526 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.348 3.798 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.417 3.769 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.630 5.217 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.035 5.570 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.074 4.363 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.201 4.271 2.915 1.00 0.00 H new ATOM 132 N PRO A 58 3.872 5.157 2.536 1.00 0.00 N ATOM 133 CA PRO A 58 5.089 4.329 2.509 1.00 0.00 C ATOM 134 C PRO A 58 4.878 2.967 3.163 1.00 0.00 C ATOM 135 O PRO A 58 4.210 2.850 4.190 1.00 0.00 O ATOM 136 CB PRO A 58 6.110 5.147 3.297 1.00 0.00 C ATOM 137 CG PRO A 58 5.298 6.013 4.196 1.00 0.00 C ATOM 138 CD PRO A 58 4.007 6.284 3.478 1.00 0.00 C ATOM 0 HA PRO A 58 5.403 4.111 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.777 4.501 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.735 5.744 2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.115 5.518 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.822 6.943 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.167 6.326 4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.036 7.239 2.954 1.00 0.00 H new ATOM 146 N ALA A 59 5.457 1.936 2.552 1.00 0.00 N ATOM 147 CA ALA A 59 5.328 0.580 3.079 1.00 0.00 C ATOM 148 C ALA A 59 6.218 0.398 4.311 1.00 0.00 C ATOM 149 O ALA A 59 7.297 0.984 4.395 1.00 0.00 O ATOM 150 CB ALA A 59 5.730 -0.447 2.019 1.00 0.00 C ATOM 0 H ALA A 59 6.014 2.012 1.701 1.00 0.00 H new ATOM 0 HA ALA A 59 4.285 0.426 3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.628 -1.452 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.083 -0.343 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.766 -0.279 1.724 1.00 0.00 H new ATOM 156 N PRO A 60 5.779 -0.417 5.280 1.00 0.00 N ATOM 157 CA PRO A 60 6.553 -0.667 6.505 1.00 0.00 C ATOM 158 C PRO A 60 7.775 -1.552 6.254 1.00 0.00 C ATOM 159 O PRO A 60 8.751 -1.513 7.003 1.00 0.00 O ATOM 160 CB PRO A 60 5.565 -1.374 7.428 1.00 0.00 C ATOM 161 CG PRO A 60 4.571 -2.013 6.518 1.00 0.00 C ATOM 162 CD PRO A 60 4.507 -1.165 5.280 1.00 0.00 C ATOM 0 HA PRO A 60 6.951 0.258 6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.067 -2.117 8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.083 -0.668 8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.870 -3.032 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.593 -2.074 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.406 -1.777 4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.650 -0.492 5.304 1.00 0.00 H new ATOM 170 N LEU A 61 7.709 -2.352 5.191 1.00 0.00 N ATOM 171 CA LEU A 61 8.816 -3.242 4.850 1.00 0.00 C ATOM 172 C LEU A 61 8.714 -3.686 3.395 1.00 0.00 C ATOM 173 O LEU A 61 7.748 -3.370 2.701 1.00 0.00 O ATOM 174 CB LEU A 61 8.806 -4.480 5.749 1.00 0.00 C ATOM 175 CG LEU A 61 7.495 -5.272 5.764 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.792 -6.755 5.993 1.00 0.00 C ATOM 177 CD2 LEU A 61 6.602 -4.753 6.893 1.00 0.00 C ATOM 0 H LEU A 61 6.911 -2.402 4.558 1.00 0.00 H new ATOM 0 HA LEU A 61 9.746 -2.693 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.609 -5.145 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.035 -4.169 6.769 1.00 0.00 H new ATOM 0 HG LEU A 61 6.987 -5.149 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.857 -7.316 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.429 -7.127 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.301 -6.881 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.668 -5.315 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.113 -4.877 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.387 -3.697 6.731 1.00 0.00 H new ATOM 189 N ALA A 62 9.724 -4.422 2.942 1.00 0.00 N ATOM 190 CA ALA A 62 9.743 -4.908 1.565 1.00 0.00 C ATOM 191 C ALA A 62 9.021 -6.248 1.464 1.00 0.00 C ATOM 192 O ALA A 62 9.502 -7.267 1.958 1.00 0.00 O ATOM 193 CB ALA A 62 11.183 -5.080 1.079 1.00 0.00 C ATOM 0 H ALA A 62 10.533 -4.693 3.501 1.00 0.00 H new ATOM 0 HA ALA A 62 9.235 -4.173 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.179 -5.443 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.699 -4.121 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.698 -5.799 1.716 1.00 0.00 H new ATOM 199 N GLY A 63 7.859 -6.232 0.816 1.00 0.00 N ATOM 200 CA GLY A 63 7.074 -7.452 0.653 1.00 0.00 C ATOM 201 C GLY A 63 6.499 -7.539 -0.756 1.00 0.00 C ATOM 202 O GLY A 63 6.682 -6.638 -1.575 1.00 0.00 O ATOM 0 H GLY A 63 7.444 -5.398 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.700 -8.322 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.265 -7.470 1.383 1.00 0.00 H new ATOM 206 N THR A 64 5.800 -8.637 -1.030 1.00 0.00 N ATOM 207 CA THR A 64 5.197 -8.837 -2.344 1.00 0.00 C ATOM 208 C THR A 64 3.692 -8.605 -2.281 1.00 0.00 C ATOM 209 O THR A 64 3.017 -9.055 -1.356 1.00 0.00 O ATOM 210 CB THR A 64 5.462 -10.259 -2.845 1.00 0.00 C ATOM 211 OG1 THR A 64 6.844 -10.558 -2.707 1.00 0.00 O ATOM 212 CG2 THR A 64 5.057 -10.370 -4.315 1.00 0.00 C ATOM 0 H THR A 64 5.638 -9.395 -0.367 1.00 0.00 H new ATOM 0 HA THR A 64 5.646 -8.121 -3.032 1.00 0.00 H new ATOM 0 HB THR A 64 4.877 -10.966 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.015 -11.469 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.247 -11.383 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.996 -10.142 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.639 -9.664 -4.907 1.00 0.00 H new ATOM 220 N VAL A 65 3.172 -7.897 -3.281 1.00 0.00 N ATOM 221 CA VAL A 65 1.742 -7.609 -3.333 1.00 0.00 C ATOM 222 C VAL A 65 0.957 -8.883 -3.637 1.00 0.00 C ATOM 223 O VAL A 65 1.122 -9.494 -4.694 1.00 0.00 O ATOM 224 CB VAL A 65 1.445 -6.563 -4.413 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.032 -6.163 -4.353 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.313 -5.324 -4.175 1.00 0.00 C ATOM 0 H VAL A 65 3.713 -7.516 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 65 1.438 -7.218 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 65 1.667 -6.986 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.239 -5.419 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.654 -7.042 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.256 -5.743 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.103 -4.579 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.090 -4.906 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.366 -5.603 -4.219 1.00 0.00 H new ATOM 236 N SER A 66 0.104 -9.277 -2.697 1.00 0.00 N ATOM 237 CA SER A 66 -0.703 -10.481 -2.869 1.00 0.00 C ATOM 238 C SER A 66 -2.114 -10.119 -3.319 1.00 0.00 C ATOM 239 O SER A 66 -2.620 -10.649 -4.309 1.00 0.00 O ATOM 240 CB SER A 66 -0.785 -11.261 -1.556 1.00 0.00 C ATOM 241 OG SER A 66 -0.815 -10.348 -0.468 1.00 0.00 O ATOM 0 H SER A 66 -0.046 -8.786 -1.816 1.00 0.00 H new ATOM 0 HA SER A 66 -0.227 -11.098 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.678 -11.886 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.072 -11.928 -1.462 1.00 0.00 H new ATOM 0 HG SER A 66 0.095 -10.038 -0.276 1.00 0.00 H new ATOM 247 N LYS A 67 -2.746 -9.210 -2.581 1.00 0.00 N ATOM 248 CA LYS A 67 -4.104 -8.785 -2.912 1.00 0.00 C ATOM 249 C LYS A 67 -4.347 -7.354 -2.440 1.00 0.00 C ATOM 250 O LYS A 67 -3.838 -6.932 -1.402 1.00 0.00 O ATOM 251 CB LYS A 67 -5.136 -9.707 -2.257 1.00 0.00 C ATOM 252 CG LYS A 67 -4.824 -9.855 -0.767 1.00 0.00 C ATOM 253 CD LYS A 67 -5.868 -10.763 -0.112 1.00 0.00 C ATOM 254 CE LYS A 67 -5.346 -12.200 -0.075 1.00 0.00 C ATOM 255 NZ LYS A 67 -6.368 -13.136 0.475 1.00 0.00 N ATOM 0 H LYS A 67 -2.346 -8.758 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.212 -8.835 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.138 -9.299 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.123 -10.684 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.827 -10.275 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.825 -8.877 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.083 -10.417 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.804 -10.719 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.067 -12.513 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.443 -12.245 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.983 -14.102 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.615 -12.850 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.220 -13.110 -0.122 1.00 0.00 H new ATOM 269 N ILE A 68 -5.138 -6.615 -3.215 1.00 0.00 N ATOM 270 CA ILE A 68 -5.451 -5.231 -2.871 1.00 0.00 C ATOM 271 C ILE A 68 -6.838 -5.151 -2.237 1.00 0.00 C ATOM 272 O ILE A 68 -7.765 -5.848 -2.649 1.00 0.00 O ATOM 273 CB ILE A 68 -5.414 -4.344 -4.120 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.066 -4.509 -4.828 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.595 -2.878 -3.718 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.254 -4.330 -6.336 1.00 0.00 C ATOM 0 H ILE A 68 -5.570 -6.948 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.703 -4.877 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.220 -4.640 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.353 -3.776 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.651 -5.495 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.568 -2.250 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.554 -2.754 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.791 -2.584 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.294 -4.448 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.952 -5.080 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.650 -3.335 -6.538 1.00 0.00 H new ATOM 288 N LEU A 69 -6.967 -4.297 -1.225 1.00 0.00 N ATOM 289 CA LEU A 69 -8.245 -4.138 -0.538 1.00 0.00 C ATOM 290 C LEU A 69 -8.965 -2.875 -1.002 1.00 0.00 C ATOM 291 O LEU A 69 -10.194 -2.815 -1.014 1.00 0.00 O ATOM 292 CB LEU A 69 -8.035 -4.077 0.970 1.00 0.00 C ATOM 293 CG LEU A 69 -8.087 -5.429 1.672 1.00 0.00 C ATOM 294 CD1 LEU A 69 -9.430 -6.107 1.390 1.00 0.00 C ATOM 295 CD2 LEU A 69 -6.951 -6.316 1.161 1.00 0.00 C ATOM 0 H LEU A 69 -6.213 -3.711 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.862 -5.002 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.068 -3.615 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.795 -3.427 1.404 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.977 -5.280 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.463 -7.073 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.240 -5.478 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.545 -6.254 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.990 -7.282 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.059 -6.462 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.994 -5.837 1.368 1.00 0.00 H new ATOM 307 N VAL A 70 -8.188 -1.864 -1.384 1.00 0.00 N ATOM 308 CA VAL A 70 -8.771 -0.606 -1.845 1.00 0.00 C ATOM 309 C VAL A 70 -8.250 -0.242 -3.231 1.00 0.00 C ATOM 310 O VAL A 70 -7.050 -0.302 -3.498 1.00 0.00 O ATOM 311 CB VAL A 70 -8.445 0.531 -0.872 1.00 0.00 C ATOM 312 CG1 VAL A 70 -9.071 0.229 0.490 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.926 0.657 -0.714 1.00 0.00 C ATOM 0 H VAL A 70 -7.168 -1.889 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.851 -0.742 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.847 1.466 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.840 1.037 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.152 0.141 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.668 -0.707 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.698 1.467 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.522 -0.278 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.476 0.871 -1.683 1.00 0.00 H new ATOM 323 N LYS A 71 -9.173 0.145 -4.105 1.00 0.00 N ATOM 324 CA LYS A 71 -8.809 0.531 -5.464 1.00 0.00 C ATOM 325 C LYS A 71 -9.109 2.009 -5.680 1.00 0.00 C ATOM 326 O LYS A 71 -10.032 2.561 -5.080 1.00 0.00 O ATOM 327 CB LYS A 71 -9.595 -0.294 -6.486 1.00 0.00 C ATOM 328 CG LYS A 71 -11.092 -0.187 -6.186 1.00 0.00 C ATOM 329 CD LYS A 71 -11.509 -1.327 -5.253 1.00 0.00 C ATOM 330 CE LYS A 71 -12.039 -2.498 -6.082 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.462 -2.290 -6.471 1.00 0.00 N ATOM 0 H LYS A 71 -10.171 0.200 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.743 0.346 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.389 0.065 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.279 -1.337 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.313 0.775 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.664 -0.234 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.658 -1.649 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.276 -0.982 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.429 -2.617 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.948 -3.421 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.791 -3.102 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.046 -2.201 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.544 -1.422 -7.038 1.00 0.00 H new ATOM 345 N GLU A 72 -8.317 2.651 -6.538 1.00 0.00 N ATOM 346 CA GLU A 72 -8.505 4.079 -6.818 1.00 0.00 C ATOM 347 C GLU A 72 -9.959 4.380 -7.200 1.00 0.00 C ATOM 348 O GLU A 72 -10.498 3.826 -8.158 1.00 0.00 O ATOM 349 CB GLU A 72 -7.536 4.555 -7.925 1.00 0.00 C ATOM 350 CG GLU A 72 -7.980 4.089 -9.325 1.00 0.00 C ATOM 351 CD GLU A 72 -8.094 2.568 -9.364 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.096 1.911 -9.114 1.00 0.00 O ATOM 353 OE2 GLU A 72 -9.178 2.082 -9.644 1.00 0.00 O ATOM 0 H GLU A 72 -7.548 2.215 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.277 4.631 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.474 5.643 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.535 4.176 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.940 4.539 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.262 4.426 -10.073 1.00 0.00 H new ATOM 360 N GLY A 73 -10.588 5.256 -6.421 1.00 0.00 N ATOM 361 CA GLY A 73 -11.979 5.620 -6.666 1.00 0.00 C ATOM 362 C GLY A 73 -12.819 5.442 -5.403 1.00 0.00 C ATOM 363 O GLY A 73 -13.815 6.136 -5.202 1.00 0.00 O ATOM 0 H GLY A 73 -10.160 5.723 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.034 6.656 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.385 5.003 -7.468 1.00 0.00 H new ATOM 367 N ASP A 74 -12.406 4.502 -4.552 1.00 0.00 N ATOM 368 CA ASP A 74 -13.132 4.243 -3.311 1.00 0.00 C ATOM 369 C ASP A 74 -12.516 5.032 -2.159 1.00 0.00 C ATOM 370 O ASP A 74 -11.357 5.441 -2.218 1.00 0.00 O ATOM 371 CB ASP A 74 -13.096 2.753 -2.970 1.00 0.00 C ATOM 372 CG ASP A 74 -14.200 2.029 -3.733 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.117 1.978 -4.950 1.00 0.00 O ATOM 374 OD2 ASP A 74 -15.112 1.535 -3.090 1.00 0.00 O ATOM 0 H ASP A 74 -11.584 3.915 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.166 4.557 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.124 2.333 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.228 2.611 -1.897 1.00 0.00 H new ATOM 379 N THR A 75 -13.306 5.237 -1.109 1.00 0.00 N ATOM 380 CA THR A 75 -12.831 5.979 0.056 1.00 0.00 C ATOM 381 C THR A 75 -12.373 5.018 1.149 1.00 0.00 C ATOM 382 O THR A 75 -12.984 3.975 1.374 1.00 0.00 O ATOM 383 CB THR A 75 -13.941 6.873 0.612 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.756 7.333 -0.458 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.322 8.070 1.336 1.00 0.00 C ATOM 0 H THR A 75 -14.268 4.904 -1.040 1.00 0.00 H new ATOM 0 HA THR A 75 -11.991 6.598 -0.260 1.00 0.00 H new ATOM 0 HB THR A 75 -14.549 6.303 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.469 7.905 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.114 8.706 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.698 7.716 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.712 8.643 0.637 1.00 0.00 H new ATOM 393 N VAL A 76 -11.286 5.383 1.824 1.00 0.00 N ATOM 394 CA VAL A 76 -10.749 4.546 2.893 1.00 0.00 C ATOM 395 C VAL A 76 -10.651 5.338 4.193 1.00 0.00 C ATOM 396 O VAL A 76 -10.608 6.568 4.186 1.00 0.00 O ATOM 397 CB VAL A 76 -9.359 4.028 2.521 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.470 3.081 1.325 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.457 5.208 2.153 1.00 0.00 C ATOM 0 H VAL A 76 -10.765 6.243 1.653 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.426 3.703 3.031 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.932 3.494 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.479 2.712 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.113 2.240 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.897 3.615 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.466 4.840 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.885 5.742 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.377 5.884 3.004 1.00 0.00 H new ATOM 409 N LYS A 77 -10.614 4.616 5.309 1.00 0.00 N ATOM 410 CA LYS A 77 -10.520 5.256 6.617 1.00 0.00 C ATOM 411 C LYS A 77 -9.226 4.849 7.315 1.00 0.00 C ATOM 412 O LYS A 77 -8.632 3.818 7.001 1.00 0.00 O ATOM 413 CB LYS A 77 -11.707 4.858 7.497 1.00 0.00 C ATOM 414 CG LYS A 77 -12.996 5.431 6.904 1.00 0.00 C ATOM 415 CD LYS A 77 -14.176 5.083 7.814 1.00 0.00 C ATOM 416 CE LYS A 77 -15.348 6.019 7.509 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.300 7.245 8.355 1.00 0.00 N ATOM 0 H LYS A 77 -10.647 3.597 5.335 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.529 6.335 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.776 3.772 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.563 5.231 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.911 6.513 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.161 5.026 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.475 4.046 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.883 5.178 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.326 6.301 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.288 5.494 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.108 7.858 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.345 6.976 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.413 7.757 8.174 1.00 0.00 H new ATOM 431 N ALA A 78 -8.795 5.674 8.264 1.00 0.00 N ATOM 432 CA ALA A 78 -7.567 5.396 9.003 1.00 0.00 C ATOM 433 C ALA A 78 -7.698 4.094 9.787 1.00 0.00 C ATOM 434 O ALA A 78 -8.396 4.030 10.800 1.00 0.00 O ATOM 435 CB ALA A 78 -7.257 6.535 9.978 1.00 0.00 C ATOM 0 H ALA A 78 -9.272 6.533 8.538 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.755 5.305 8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.338 6.310 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.133 7.465 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.079 6.642 10.686 1.00 0.00 H new ATOM 441 N GLY A 79 -7.017 3.056 9.309 1.00 0.00 N ATOM 442 CA GLY A 79 -7.061 1.756 9.974 1.00 0.00 C ATOM 443 C GLY A 79 -7.534 0.669 9.014 1.00 0.00 C ATOM 444 O GLY A 79 -7.134 -0.490 9.121 1.00 0.00 O ATOM 0 H GLY A 79 -6.434 3.088 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.071 1.504 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.731 1.805 10.833 1.00 0.00 H new ATOM 448 N GLN A 80 -8.394 1.056 8.075 1.00 0.00 N ATOM 449 CA GLN A 80 -8.920 0.105 7.100 1.00 0.00 C ATOM 450 C GLN A 80 -7.793 -0.458 6.240 1.00 0.00 C ATOM 451 O GLN A 80 -6.872 0.259 5.849 1.00 0.00 O ATOM 452 CB GLN A 80 -9.949 0.783 6.192 1.00 0.00 C ATOM 453 CG GLN A 80 -10.832 -0.280 5.537 1.00 0.00 C ATOM 454 CD GLN A 80 -11.938 0.399 4.738 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.936 0.847 5.302 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.818 0.504 3.442 1.00 0.00 N ATOM 0 H GLN A 80 -8.738 2.010 7.969 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.398 -0.707 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.562 1.473 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.443 1.372 5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.233 -0.913 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.265 -0.928 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.991 0.133 2.975 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.551 0.957 2.897 1.00 0.00 H new ATOM 465 N THR A 81 -7.879 -1.753 5.947 1.00 0.00 N ATOM 466 CA THR A 81 -6.863 -2.410 5.128 1.00 0.00 C ATOM 467 C THR A 81 -6.914 -1.883 3.698 1.00 0.00 C ATOM 468 O THR A 81 -7.991 -1.661 3.141 1.00 0.00 O ATOM 469 CB THR A 81 -7.083 -3.924 5.111 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.338 -4.378 6.433 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.834 -4.616 4.564 1.00 0.00 C ATOM 0 H THR A 81 -8.634 -2.364 6.261 1.00 0.00 H new ATOM 0 HA THR A 81 -5.887 -2.193 5.562 1.00 0.00 H new ATOM 0 HB THR A 81 -7.935 -4.161 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.481 -5.348 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.991 -5.695 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.639 -4.267 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.980 -4.381 5.199 1.00 0.00 H new ATOM 479 N VAL A 82 -5.739 -1.676 3.111 1.00 0.00 N ATOM 480 CA VAL A 82 -5.663 -1.164 1.744 1.00 0.00 C ATOM 481 C VAL A 82 -5.059 -2.204 0.801 1.00 0.00 C ATOM 482 O VAL A 82 -5.398 -2.254 -0.381 1.00 0.00 O ATOM 483 CB VAL A 82 -4.810 0.104 1.695 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.508 1.219 2.475 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.443 -0.178 2.323 1.00 0.00 C ATOM 0 H VAL A 82 -4.836 -1.852 3.552 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.679 -0.937 1.421 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.678 0.414 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.900 2.123 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.482 1.420 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.640 0.910 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.834 0.725 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.576 -0.487 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.945 -0.973 1.768 1.00 0.00 H new ATOM 495 N LEU A 83 -4.158 -3.028 1.329 1.00 0.00 N ATOM 496 CA LEU A 83 -3.517 -4.052 0.508 1.00 0.00 C ATOM 497 C LEU A 83 -2.792 -5.071 1.380 1.00 0.00 C ATOM 498 O LEU A 83 -2.264 -4.739 2.439 1.00 0.00 O ATOM 499 CB LEU A 83 -2.511 -3.406 -0.444 1.00 0.00 C ATOM 500 CG LEU A 83 -1.729 -4.377 -1.336 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.439 -3.716 -2.690 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.408 -4.742 -0.652 1.00 0.00 C ATOM 0 H LEU A 83 -3.859 -3.009 2.304 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.294 -4.561 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.043 -2.701 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.799 -2.828 0.145 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.320 -5.279 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.883 -4.409 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.379 -3.456 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.849 -2.813 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.150 -5.433 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.181 -3.839 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.614 -5.215 0.308 1.00 0.00 H new ATOM 514 N VAL A 84 -2.770 -6.319 0.918 1.00 0.00 N ATOM 515 CA VAL A 84 -2.102 -7.388 1.662 1.00 0.00 C ATOM 516 C VAL A 84 -0.756 -7.712 1.021 1.00 0.00 C ATOM 517 O VAL A 84 -0.644 -7.815 -0.200 1.00 0.00 O ATOM 518 CB VAL A 84 -2.959 -8.658 1.680 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.379 -9.648 2.693 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.396 -8.311 2.079 1.00 0.00 C ATOM 0 H VAL A 84 -3.201 -6.615 0.042 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.953 -7.041 2.685 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.959 -9.104 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.987 -10.552 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.358 -9.902 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.378 -9.195 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.000 -9.218 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.399 -7.861 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.813 -7.606 1.360 1.00 0.00 H new ATOM 530 N LEU A 85 0.265 -7.869 1.858 1.00 0.00 N ATOM 531 CA LEU A 85 1.603 -8.178 1.359 1.00 0.00 C ATOM 532 C LEU A 85 2.078 -9.527 1.889 1.00 0.00 C ATOM 533 O LEU A 85 1.497 -10.086 2.820 1.00 0.00 O ATOM 534 CB LEU A 85 2.597 -7.098 1.787 1.00 0.00 C ATOM 535 CG LEU A 85 2.466 -5.760 1.056 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.211 -4.676 1.837 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.069 -5.885 -0.345 1.00 0.00 C ATOM 0 H LEU A 85 0.195 -7.789 2.872 1.00 0.00 H new ATOM 0 HA LEU A 85 1.552 -8.216 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.479 -6.922 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.608 -7.478 1.637 1.00 0.00 H new ATOM 0 HG LEU A 85 1.413 -5.490 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.118 -3.723 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.783 -4.587 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.265 -4.944 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.977 -4.933 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.122 -6.154 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.538 -6.657 -0.902 1.00 0.00 H new ATOM 549 N GLU A 86 3.146 -10.040 1.285 1.00 0.00 N ATOM 550 CA GLU A 86 3.704 -11.325 1.697 1.00 0.00 C ATOM 551 C GLU A 86 5.228 -11.282 1.646 1.00 0.00 C ATOM 552 O GLU A 86 5.844 -11.718 0.674 1.00 0.00 O ATOM 553 CB GLU A 86 3.205 -12.444 0.781 1.00 0.00 C ATOM 554 CG GLU A 86 1.891 -13.006 1.326 1.00 0.00 C ATOM 555 CD GLU A 86 1.445 -14.185 0.466 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.066 -13.953 -0.671 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.491 -15.301 0.955 1.00 0.00 O ATOM 0 H GLU A 86 3.640 -9.590 0.514 1.00 0.00 H new ATOM 0 HA GLU A 86 3.379 -11.522 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.058 -12.062 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.952 -13.235 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.021 -13.325 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.124 -12.231 1.326 1.00 0.00 H new ATOM 630 N GLU A 91 2.181 -13.121 5.524 1.00 0.00 N ATOM 631 CA GLU A 91 1.071 -12.271 5.106 1.00 0.00 C ATOM 632 C GLU A 91 0.993 -11.026 5.985 1.00 0.00 C ATOM 633 O GLU A 91 0.629 -11.099 7.158 1.00 0.00 O ATOM 634 CB GLU A 91 -0.254 -13.030 5.202 1.00 0.00 C ATOM 635 CG GLU A 91 -0.501 -13.795 3.899 1.00 0.00 C ATOM 636 CD GLU A 91 -1.627 -14.802 4.105 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.608 -15.484 5.117 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.492 -14.877 3.248 1.00 0.00 O ATOM 0 HA GLU A 91 1.246 -11.977 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.228 -13.723 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.072 -12.333 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.762 -13.100 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.409 -14.309 3.589 1.00 0.00 H new ATOM 645 N THR A 92 1.339 -9.882 5.402 1.00 0.00 N ATOM 646 CA THR A 92 1.305 -8.621 6.139 1.00 0.00 C ATOM 647 C THR A 92 0.299 -7.666 5.506 1.00 0.00 C ATOM 648 O THR A 92 0.519 -7.142 4.414 1.00 0.00 O ATOM 649 CB THR A 92 2.686 -7.962 6.140 1.00 0.00 C ATOM 650 OG1 THR A 92 3.686 -8.965 6.252 1.00 0.00 O ATOM 651 CG2 THR A 92 2.791 -6.997 7.322 1.00 0.00 C ATOM 0 H THR A 92 1.643 -9.801 4.432 1.00 0.00 H new ATOM 0 HA THR A 92 1.008 -8.838 7.165 1.00 0.00 H new ATOM 0 HB THR A 92 2.828 -7.410 5.211 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.572 -8.545 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.775 -6.528 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.023 -6.229 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.650 -7.546 8.253 1.00 0.00 H new ATOM 659 N GLU A 93 -0.812 -7.447 6.205 1.00 0.00 N ATOM 660 CA GLU A 93 -1.852 -6.554 5.702 1.00 0.00 C ATOM 661 C GLU A 93 -1.456 -5.095 5.914 1.00 0.00 C ATOM 662 O GLU A 93 -0.886 -4.732 6.942 1.00 0.00 O ATOM 663 CB GLU A 93 -3.183 -6.819 6.409 1.00 0.00 C ATOM 664 CG GLU A 93 -2.981 -6.773 7.926 1.00 0.00 C ATOM 665 CD GLU A 93 -4.260 -6.283 8.596 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.188 -7.069 8.701 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.294 -5.131 8.994 1.00 0.00 O ATOM 0 H GLU A 93 -1.014 -7.870 7.111 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.967 -6.747 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.920 -6.074 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.575 -7.793 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.719 -7.763 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.152 -6.110 8.173 1.00 0.00 H new ATOM 674 N ILE A 94 -1.766 -4.265 4.923 1.00 0.00 N ATOM 675 CA ILE A 94 -1.445 -2.842 4.997 1.00 0.00 C ATOM 676 C ILE A 94 -2.702 -2.038 5.311 1.00 0.00 C ATOM 677 O ILE A 94 -3.785 -2.335 4.807 1.00 0.00 O ATOM 678 CB ILE A 94 -0.857 -2.353 3.667 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.296 -3.275 3.233 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.342 -0.917 3.825 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.397 -3.296 4.300 1.00 0.00 C ATOM 0 H ILE A 94 -2.236 -4.550 4.064 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.710 -2.699 5.789 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.635 -2.373 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.080 -4.285 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.707 -2.931 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.075 -0.574 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.165 -0.265 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.431 -0.890 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.204 -3.953 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.785 -2.287 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.985 -3.663 5.240 1.00 0.00 H new ATOM 693 N ASN A 95 -2.549 -1.020 6.152 1.00 0.00 N ATOM 694 CA ASN A 95 -3.685 -0.183 6.528 1.00 0.00 C ATOM 695 C ASN A 95 -3.355 1.293 6.330 1.00 0.00 C ATOM 696 O ASN A 95 -2.228 1.729 6.561 1.00 0.00 O ATOM 697 CB ASN A 95 -4.058 -0.416 7.994 1.00 0.00 C ATOM 698 CG ASN A 95 -4.279 -1.907 8.235 1.00 0.00 C ATOM 699 OD1 ASN A 95 -4.566 -2.657 7.303 1.00 0.00 O ATOM 700 ND2 ASN A 95 -4.161 -2.383 9.443 1.00 0.00 N ATOM 0 H ASN A 95 -1.662 -0.756 6.582 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.525 -0.454 5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.266 -0.046 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.961 0.141 8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.307 -3.378 9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.923 -1.761 10.215 1.00 0.00 H new ATOM 707 N ALA A 96 -4.356 2.056 5.899 1.00 0.00 N ATOM 708 CA ALA A 96 -4.170 3.485 5.671 1.00 0.00 C ATOM 709 C ALA A 96 -3.801 4.188 6.982 1.00 0.00 C ATOM 710 O ALA A 96 -4.368 3.885 8.032 1.00 0.00 O ATOM 711 CB ALA A 96 -5.454 4.105 5.114 1.00 0.00 C ATOM 0 H ALA A 96 -5.296 1.712 5.702 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.363 3.614 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.301 5.171 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.710 3.624 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.266 3.961 5.826 1.00 0.00 H new ATOM 717 N PRO A 97 -2.848 5.132 6.943 1.00 0.00 N ATOM 718 CA PRO A 97 -2.422 5.863 8.147 1.00 0.00 C ATOM 719 C PRO A 97 -3.475 6.860 8.626 1.00 0.00 C ATOM 720 O PRO A 97 -3.605 7.120 9.823 1.00 0.00 O ATOM 721 CB PRO A 97 -1.158 6.597 7.706 1.00 0.00 C ATOM 722 CG PRO A 97 -1.293 6.746 6.230 1.00 0.00 C ATOM 723 CD PRO A 97 -2.103 5.576 5.749 1.00 0.00 C ATOM 0 HA PRO A 97 -2.262 5.188 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.075 7.568 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.263 6.032 7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.785 7.686 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.314 6.761 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.778 5.864 4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.464 4.783 5.361 1.00 0.00 H new ATOM 731 N THR A 98 -4.224 7.414 7.678 1.00 0.00 N ATOM 732 CA THR A 98 -5.266 8.383 8.011 1.00 0.00 C ATOM 733 C THR A 98 -6.434 8.266 7.038 1.00 0.00 C ATOM 734 O THR A 98 -6.319 7.651 5.977 1.00 0.00 O ATOM 735 CB THR A 98 -4.709 9.807 7.953 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.106 10.028 6.686 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.669 9.996 9.057 1.00 0.00 C ATOM 0 H THR A 98 -4.132 7.212 6.682 1.00 0.00 H new ATOM 0 HA THR A 98 -5.614 8.170 9.022 1.00 0.00 H new ATOM 0 HB THR A 98 -5.520 10.520 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.751 10.940 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.273 11.011 9.014 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.135 9.829 10.028 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.856 9.283 8.917 1.00 0.00 H new ATOM 745 N ASP A 99 -7.561 8.864 7.412 1.00 0.00 N ATOM 746 CA ASP A 99 -8.752 8.824 6.567 1.00 0.00 C ATOM 747 C ASP A 99 -8.514 9.601 5.275 1.00 0.00 C ATOM 748 O ASP A 99 -7.841 10.631 5.268 1.00 0.00 O ATOM 749 CB ASP A 99 -9.950 9.430 7.299 1.00 0.00 C ATOM 750 CG ASP A 99 -9.590 10.824 7.802 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.665 11.753 7.016 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.247 10.941 8.966 1.00 0.00 O ATOM 0 H ASP A 99 -7.676 9.378 8.286 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.962 7.781 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.809 9.484 6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.238 8.793 8.136 1.00 0.00 H new ATOM 757 N GLY A 100 -9.077 9.094 4.182 1.00 0.00 N ATOM 758 CA GLY A 100 -8.922 9.746 2.884 1.00 0.00 C ATOM 759 C GLY A 100 -9.586 8.926 1.783 1.00 0.00 C ATOM 760 O GLY A 100 -10.442 8.083 2.048 1.00 0.00 O ATOM 0 H GLY A 100 -9.639 8.243 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.363 10.742 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.863 9.873 2.660 1.00 0.00 H new ATOM 764 N LYS A 101 -9.180 9.185 0.543 1.00 0.00 N ATOM 765 CA LYS A 101 -9.741 8.466 -0.598 1.00 0.00 C ATOM 766 C LYS A 101 -8.633 8.030 -1.549 1.00 0.00 C ATOM 767 O LYS A 101 -7.711 8.791 -1.844 1.00 0.00 O ATOM 768 CB LYS A 101 -10.729 9.353 -1.357 1.00 0.00 C ATOM 769 CG LYS A 101 -11.464 8.519 -2.408 1.00 0.00 C ATOM 770 CD LYS A 101 -12.630 9.327 -2.979 1.00 0.00 C ATOM 771 CE LYS A 101 -12.094 10.387 -3.942 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.173 10.918 -4.821 1.00 0.00 N ATOM 0 H LYS A 101 -8.472 9.879 0.303 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.261 7.587 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.444 9.795 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.200 10.177 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.779 8.236 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.832 7.595 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.324 8.666 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.187 9.802 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.649 11.205 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.302 9.957 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.777 11.635 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.580 10.141 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.916 11.350 -4.236 1.00 0.00 H new ATOM 786 N VAL A 102 -8.732 6.793 -2.028 1.00 0.00 N ATOM 787 CA VAL A 102 -7.730 6.258 -2.950 1.00 0.00 C ATOM 788 C VAL A 102 -7.896 6.899 -4.325 1.00 0.00 C ATOM 789 O VAL A 102 -8.846 6.608 -5.052 1.00 0.00 O ATOM 790 CB VAL A 102 -7.866 4.734 -3.088 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.599 4.166 -3.731 1.00 0.00 C ATOM 792 CG2 VAL A 102 -8.052 4.096 -1.705 1.00 0.00 C ATOM 0 H VAL A 102 -9.487 6.147 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.744 6.489 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.733 4.511 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.694 3.085 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.461 4.609 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.738 4.399 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.148 3.016 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.188 4.323 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.953 4.495 -1.238 1.00 0.00 H new ATOM 802 N GLU A 103 -6.964 7.785 -4.670 1.00 0.00 N ATOM 803 CA GLU A 103 -7.020 8.472 -5.958 1.00 0.00 C ATOM 804 C GLU A 103 -6.317 7.659 -7.043 1.00 0.00 C ATOM 805 O GLU A 103 -6.671 7.733 -8.219 1.00 0.00 O ATOM 806 CB GLU A 103 -6.360 9.851 -5.861 1.00 0.00 C ATOM 807 CG GLU A 103 -4.939 9.707 -5.310 1.00 0.00 C ATOM 808 CD GLU A 103 -4.159 10.992 -5.569 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.702 11.169 -6.685 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.031 11.779 -4.645 1.00 0.00 O ATOM 0 H GLU A 103 -6.170 8.042 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.071 8.588 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.333 10.322 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.947 10.501 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.972 9.498 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.438 8.863 -5.784 1.00 0.00 H new ATOM 817 N LYS A 104 -5.316 6.882 -6.637 1.00 0.00 N ATOM 818 CA LYS A 104 -4.570 6.061 -7.589 1.00 0.00 C ATOM 819 C LYS A 104 -3.768 4.992 -6.855 1.00 0.00 C ATOM 820 O LYS A 104 -3.163 5.254 -5.816 1.00 0.00 O ATOM 821 CB LYS A 104 -3.613 6.930 -8.407 1.00 0.00 C ATOM 822 CG LYS A 104 -3.300 6.235 -9.734 1.00 0.00 C ATOM 823 CD LYS A 104 -1.865 6.561 -10.154 1.00 0.00 C ATOM 824 CE LYS A 104 -1.344 5.462 -11.083 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.039 5.843 -11.694 1.00 0.00 N ATOM 0 H LYS A 104 -5.005 6.803 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.286 5.582 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.060 7.907 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.693 7.102 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.424 5.157 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.999 6.564 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.833 7.526 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.226 6.642 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.229 4.534 -10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.074 5.271 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.330 5.046 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.174 6.666 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.639 6.083 -10.943 1.00 0.00 H new ATOM 839 N VAL A 105 -3.772 3.783 -7.408 1.00 0.00 N ATOM 840 CA VAL A 105 -3.039 2.676 -6.797 1.00 0.00 C ATOM 841 C VAL A 105 -1.804 2.335 -7.624 1.00 0.00 C ATOM 842 O VAL A 105 -1.904 1.817 -8.736 1.00 0.00 O ATOM 843 CB VAL A 105 -3.927 1.432 -6.696 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.209 0.355 -5.877 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.244 1.799 -6.006 1.00 0.00 C ATOM 0 H VAL A 105 -4.267 3.545 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.736 2.987 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.132 1.052 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.842 -0.530 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.271 0.092 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.003 0.736 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.876 0.914 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.037 2.179 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.758 2.565 -6.586 1.00 0.00 H new ATOM 855 N LEU A 106 -0.635 2.633 -7.065 1.00 0.00 N ATOM 856 CA LEU A 106 0.621 2.353 -7.754 1.00 0.00 C ATOM 857 C LEU A 106 0.984 0.877 -7.619 1.00 0.00 C ATOM 858 O LEU A 106 1.603 0.290 -8.508 1.00 0.00 O ATOM 859 CB LEU A 106 1.752 3.199 -7.171 1.00 0.00 C ATOM 860 CG LEU A 106 1.447 4.692 -7.023 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.308 5.281 -5.904 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.760 5.408 -8.337 1.00 0.00 C ATOM 0 H LEU A 106 -0.531 3.064 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 106 0.490 2.601 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.013 2.800 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.631 3.086 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 106 0.393 4.825 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.091 6.344 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.086 4.771 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.362 5.149 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.543 6.471 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.814 5.275 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.147 4.989 -9.135 1.00 0.00 H new ATOM 874 N VAL A 107 0.593 0.283 -6.494 1.00 0.00 N ATOM 875 CA VAL A 107 0.883 -1.126 -6.247 1.00 0.00 C ATOM 876 C VAL A 107 -0.150 -2.013 -6.936 1.00 0.00 C ATOM 877 O VAL A 107 -1.334 -1.685 -6.992 1.00 0.00 O ATOM 878 CB VAL A 107 0.874 -1.421 -4.744 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.001 -0.643 -4.065 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.469 -0.993 -4.143 1.00 0.00 C ATOM 0 H VAL A 107 0.080 0.750 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 107 1.872 -1.341 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 107 1.019 -2.490 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.995 -0.853 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.959 -0.946 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.854 0.425 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.473 -1.204 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.615 0.075 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.276 -1.545 -4.625 1.00 0.00 H new ATOM 890 N LYS A 108 0.316 -3.144 -7.457 1.00 0.00 N ATOM 891 CA LYS A 108 -0.573 -4.080 -8.142 1.00 0.00 C ATOM 892 C LYS A 108 -0.260 -5.512 -7.718 1.00 0.00 C ATOM 893 O LYS A 108 0.801 -5.792 -7.161 1.00 0.00 O ATOM 894 CB LYS A 108 -0.410 -3.962 -9.660 1.00 0.00 C ATOM 895 CG LYS A 108 -1.402 -2.931 -10.201 1.00 0.00 C ATOM 896 CD LYS A 108 -1.250 -2.825 -11.720 1.00 0.00 C ATOM 897 CE LYS A 108 -2.428 -2.040 -12.299 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.555 -2.252 -13.769 1.00 0.00 N ATOM 0 H LYS A 108 1.293 -3.434 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.599 -3.834 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.610 -3.665 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.582 -4.930 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.421 -3.222 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.223 -1.960 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.312 -2.329 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.211 -3.820 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.350 -2.347 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.295 -0.978 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.363 -1.706 -14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.684 -1.936 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.706 -3.263 -13.962 1.00 0.00 H new ATOM 912 N GLU A 109 -1.199 -6.415 -7.986 1.00 0.00 N ATOM 913 CA GLU A 109 -1.017 -7.820 -7.628 1.00 0.00 C ATOM 914 C GLU A 109 0.200 -8.400 -8.341 1.00 0.00 C ATOM 915 O GLU A 109 0.525 -8.012 -9.463 1.00 0.00 O ATOM 916 CB GLU A 109 -2.254 -8.635 -8.011 1.00 0.00 C ATOM 917 CG GLU A 109 -3.340 -8.444 -6.949 1.00 0.00 C ATOM 918 CD GLU A 109 -4.465 -9.447 -7.186 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.236 -10.626 -6.970 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.538 -9.021 -7.579 1.00 0.00 O ATOM 0 H GLU A 109 -2.085 -6.203 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.866 -7.874 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.624 -8.318 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.995 -9.690 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.918 -8.583 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.730 -7.427 -6.991 1.00 0.00 H new ATOM 927 N ARG A 110 0.871 -9.337 -7.674 1.00 0.00 N ATOM 928 CA ARG A 110 2.057 -9.971 -8.248 1.00 0.00 C ATOM 929 C ARG A 110 3.144 -8.932 -8.510 1.00 0.00 C ATOM 930 O ARG A 110 3.891 -9.022 -9.485 1.00 0.00 O ATOM 931 CB ARG A 110 1.709 -10.675 -9.562 1.00 0.00 C ATOM 932 CG ARG A 110 2.720 -11.792 -9.826 1.00 0.00 C ATOM 933 CD ARG A 110 2.311 -13.046 -9.051 1.00 0.00 C ATOM 934 NE ARG A 110 3.488 -13.807 -8.642 1.00 0.00 N ATOM 935 CZ ARG A 110 3.407 -14.739 -7.698 1.00 0.00 C ATOM 936 NH1 ARG A 110 3.345 -14.392 -6.441 1.00 0.00 N ATOM 937 NH2 ARG A 110 3.390 -16.002 -8.026 1.00 0.00 N ATOM 0 H ARG A 110 0.617 -9.672 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 110 2.424 -10.706 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.701 -11.087 -9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.719 -9.959 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.766 -12.010 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.717 -11.473 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.731 -12.763 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.667 -13.669 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 110 4.386 -13.620 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.359 -13.405 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.283 -15.108 -5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.439 -16.275 -9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.328 -16.716 -7.301 1.00 0.00 H new ATOM 951 N ASP A 111 3.224 -7.943 -7.625 1.00 0.00 N ATOM 952 CA ASP A 111 4.223 -6.886 -7.762 1.00 0.00 C ATOM 953 C ASP A 111 5.011 -6.728 -6.465 1.00 0.00 C ATOM 954 O ASP A 111 4.454 -6.806 -5.371 1.00 0.00 O ATOM 955 CB ASP A 111 3.551 -5.554 -8.104 1.00 0.00 C ATOM 956 CG ASP A 111 4.528 -4.675 -8.876 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.257 -5.210 -9.695 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.532 -3.478 -8.637 1.00 0.00 O ATOM 0 H ASP A 111 2.615 -7.850 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 111 4.901 -7.166 -8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.655 -5.729 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.234 -5.049 -7.191 1.00 0.00 H new ATOM 963 N ALA A 112 6.314 -6.506 -6.602 1.00 0.00 N ATOM 964 CA ALA A 112 7.175 -6.339 -5.434 1.00 0.00 C ATOM 965 C ALA A 112 7.258 -4.869 -5.037 1.00 0.00 C ATOM 966 O ALA A 112 7.406 -3.989 -5.885 1.00 0.00 O ATOM 967 CB ALA A 112 8.585 -6.855 -5.729 1.00 0.00 C ATOM 0 H ALA A 112 6.794 -6.438 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 112 6.742 -6.913 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.213 -6.723 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.539 -7.913 -5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.009 -6.297 -6.564 1.00 0.00 H new ATOM 973 N VAL A 113 7.161 -4.614 -3.735 1.00 0.00 N ATOM 974 CA VAL A 113 7.227 -3.246 -3.228 1.00 0.00 C ATOM 975 C VAL A 113 8.396 -3.095 -2.261 1.00 0.00 C ATOM 976 O VAL A 113 8.809 -4.053 -1.608 1.00 0.00 O ATOM 977 CB VAL A 113 5.930 -2.879 -2.504 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.777 -2.839 -3.509 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.632 -3.928 -1.430 1.00 0.00 C ATOM 0 H VAL A 113 7.038 -5.329 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 113 7.368 -2.578 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 113 6.040 -1.900 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.853 -2.578 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.988 -2.093 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.667 -3.818 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.708 -3.668 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.523 -4.907 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.452 -3.958 -0.713 1.00 0.00 H new ATOM 989 N GLN A 114 8.926 -1.878 -2.177 1.00 0.00 N ATOM 990 CA GLN A 114 10.051 -1.606 -1.286 1.00 0.00 C ATOM 991 C GLN A 114 9.559 -1.010 0.029 1.00 0.00 C ATOM 992 O GLN A 114 8.647 -0.183 0.049 1.00 0.00 O ATOM 993 CB GLN A 114 11.029 -0.629 -1.941 1.00 0.00 C ATOM 994 CG GLN A 114 12.053 -1.408 -2.769 1.00 0.00 C ATOM 995 CD GLN A 114 12.847 -0.439 -3.639 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.821 0.159 -3.183 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.487 -0.248 -4.879 1.00 0.00 N ATOM 0 H GLN A 114 8.599 -1.071 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 114 10.559 -2.550 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.488 0.071 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.536 -0.039 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.726 -1.958 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.547 -2.144 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.680 -0.743 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.013 0.397 -5.469 1.00 0.00 H new ATOM 1006 N GLY A 115 10.175 -1.439 1.127 1.00 0.00 N ATOM 1007 CA GLY A 115 9.795 -0.941 2.446 1.00 0.00 C ATOM 1008 C GLY A 115 10.023 0.563 2.540 1.00 0.00 C ATOM 1009 O GLY A 115 11.085 1.020 2.960 1.00 0.00 O ATOM 0 H GLY A 115 10.932 -2.123 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.746 -1.168 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.377 -1.451 3.214 1.00 0.00 H new ATOM 1013 N GLY A 116 9.011 1.327 2.141 1.00 0.00 N ATOM 1014 CA GLY A 116 9.107 2.784 2.179 1.00 0.00 C ATOM 1015 C GLY A 116 8.520 3.403 0.913 1.00 0.00 C ATOM 1016 O GLY A 116 8.037 4.535 0.927 1.00 0.00 O ATOM 0 H GLY A 116 8.123 0.967 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.578 3.164 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.151 3.081 2.283 1.00 0.00 H new ATOM 1020 N GLN A 117 8.570 2.651 -0.184 1.00 0.00 N ATOM 1021 CA GLN A 117 8.041 3.138 -1.456 1.00 0.00 C ATOM 1022 C GLN A 117 6.546 3.415 -1.342 1.00 0.00 C ATOM 1023 O GLN A 117 5.826 2.736 -0.608 1.00 0.00 O ATOM 1024 CB GLN A 117 8.272 2.107 -2.563 1.00 0.00 C ATOM 1025 CG GLN A 117 8.022 2.757 -3.926 1.00 0.00 C ATOM 1026 CD GLN A 117 8.378 1.770 -5.033 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.078 2.119 -5.983 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.932 0.545 -4.967 1.00 0.00 N ATOM 0 H GLN A 117 8.967 1.712 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 117 8.564 4.061 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.292 1.725 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.605 1.255 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.977 3.055 -4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.621 3.662 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.352 0.255 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.164 -0.122 -5.703 1.00 0.00 H new ATOM 1037 N GLY A 118 6.086 4.423 -2.077 1.00 0.00 N ATOM 1038 CA GLY A 118 4.671 4.787 -2.055 1.00 0.00 C ATOM 1039 C GLY A 118 3.809 3.631 -2.551 1.00 0.00 C ATOM 1040 O GLY A 118 3.937 3.187 -3.693 1.00 0.00 O ATOM 0 H GLY A 118 6.665 4.998 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.376 5.058 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.506 5.664 -2.680 1.00 0.00 H new ATOM 1044 N LEU A 119 2.929 3.149 -1.679 1.00 0.00 N ATOM 1045 CA LEU A 119 2.049 2.041 -2.036 1.00 0.00 C ATOM 1046 C LEU A 119 0.780 2.561 -2.704 1.00 0.00 C ATOM 1047 O LEU A 119 0.413 2.127 -3.796 1.00 0.00 O ATOM 1048 CB LEU A 119 1.659 1.243 -0.791 1.00 0.00 C ATOM 1049 CG LEU A 119 2.825 0.659 0.010 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.298 0.055 1.313 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.515 -0.430 -0.816 1.00 0.00 C ATOM 0 H LEU A 119 2.806 3.503 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 119 2.589 1.396 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.078 1.890 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.005 0.426 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 119 3.540 1.449 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.129 -0.361 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.806 0.830 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.583 -0.735 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.346 -0.847 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.800 -1.220 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.891 0.001 -1.744 1.00 0.00 H new ATOM 1063 N ILE A 120 0.111 3.494 -2.032 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.122 4.066 -2.564 1.00 0.00 C ATOM 1065 C ILE A 120 -1.183 5.565 -2.277 1.00 0.00 C ATOM 1066 O ILE A 120 -0.620 6.047 -1.294 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.342 3.388 -1.932 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.222 1.869 -2.091 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.618 3.870 -2.625 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.343 1.184 -1.307 1.00 0.00 C ATOM 0 H ILE A 120 0.398 3.867 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.132 3.902 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.386 3.644 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.282 1.597 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.251 1.530 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.483 3.385 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.707 4.950 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.574 3.618 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.258 0.103 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.262 1.446 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.309 1.514 -1.690 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.878 6.293 -3.147 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.014 7.738 -2.982 1.00 0.00 C ATOM 1084 C LYS A 121 -3.337 8.068 -2.300 1.00 0.00 C ATOM 1085 O LYS A 121 -4.388 7.536 -2.661 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.960 8.441 -4.342 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.524 8.887 -4.634 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.231 8.731 -6.128 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.540 10.043 -6.851 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.285 9.930 -8.316 1.00 0.00 N ATOM 0 H LYS A 121 -2.352 5.911 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.188 8.089 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.308 7.767 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.627 9.303 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.387 9.926 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.178 8.291 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.814 8.459 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.833 7.924 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.581 10.317 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.072 10.843 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.504 10.836 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.715 9.692 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.887 9.183 -8.717 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.274 8.951 -1.309 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.474 9.347 -0.578 1.00 0.00 C ATOM 1106 C ILE A 122 -4.788 10.819 -0.827 1.00 0.00 C ATOM 1107 O ILE A 122 -3.888 11.645 -0.974 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.288 9.124 0.927 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.788 7.693 1.187 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.620 9.347 1.648 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.798 6.666 0.654 1.00 0.00 C ATOM 0 H ILE A 122 -2.415 9.402 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.301 8.733 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.550 9.832 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.822 7.546 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.637 7.543 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.486 9.188 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.962 10.367 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.362 8.645 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.428 5.659 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.756 6.803 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.928 6.806 -0.419 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.079 11.134 -0.874 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.508 12.511 -1.107 1.00 0.00 C ATOM 1125 C GLY A 123 -7.621 12.562 -2.149 1.00 0.00 C ATOM 1126 O GLY A 123 -7.309 12.761 -3.311 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.769 12.402 -1.769 1.00 0.00 O ATOM 0 H GLY A 123 -6.839 10.464 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.858 12.951 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.661 13.109 -1.443 1.00 0.00 H new