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 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= 0.447 F(o=-0.2,f=0.45) 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=-0.091) USER MOD Single : A 117 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.5!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.560 9.551 -0.630 1.00 0.00 N ATOM 99 CA GLU A 56 1.581 8.109 -0.858 1.00 0.00 C ATOM 100 C GLU A 56 1.904 7.370 0.436 1.00 0.00 C ATOM 101 O GLU A 56 2.797 7.763 1.187 1.00 0.00 O ATOM 102 CB GLU A 56 2.630 7.748 -1.912 1.00 0.00 C ATOM 103 CG GLU A 56 2.347 8.519 -3.201 1.00 0.00 C ATOM 104 CD GLU A 56 3.661 8.813 -3.918 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.195 7.903 -4.529 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.112 9.944 -3.846 1.00 0.00 O ATOM 0 HA GLU A 56 0.594 7.810 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.628 7.988 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.611 6.676 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.690 7.938 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.828 9.450 -2.974 1.00 0.00 H new ATOM 113 N ILE A 57 1.166 6.292 0.687 1.00 0.00 N ATOM 114 CA ILE A 57 1.379 5.497 1.894 1.00 0.00 C ATOM 115 C ILE A 57 2.611 4.598 1.725 1.00 0.00 C ATOM 116 O ILE A 57 2.590 3.664 0.923 1.00 0.00 O ATOM 117 CB ILE A 57 0.157 4.619 2.176 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.104 5.486 2.195 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.321 3.935 3.536 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.343 4.588 2.197 1.00 0.00 C ATOM 0 H ILE A 57 0.422 5.951 0.078 1.00 0.00 H new ATOM 0 HA ILE A 57 1.536 6.180 2.729 1.00 0.00 H new ATOM 0 HB ILE A 57 0.068 3.864 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.105 6.126 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.119 6.143 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.549 3.310 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.218 3.316 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.411 4.692 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.241 5.206 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.344 3.967 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.329 3.950 3.081 1.00 0.00 H new ATOM 132 N PRO A 58 3.696 4.862 2.468 1.00 0.00 N ATOM 133 CA PRO A 58 4.923 4.054 2.373 1.00 0.00 C ATOM 134 C PRO A 58 4.749 2.660 2.970 1.00 0.00 C ATOM 135 O PRO A 58 4.035 2.476 3.955 1.00 0.00 O ATOM 136 CB PRO A 58 5.954 4.851 3.169 1.00 0.00 C ATOM 137 CG PRO A 58 5.155 5.663 4.128 1.00 0.00 C ATOM 138 CD PRO A 58 3.842 5.947 3.458 1.00 0.00 C ATOM 0 HA PRO A 58 5.212 3.887 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.646 4.191 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.552 5.487 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.004 5.122 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.672 6.590 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.021 5.945 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.844 6.926 2.978 1.00 0.00 H new ATOM 146 N ALA A 59 5.410 1.681 2.359 1.00 0.00 N ATOM 147 CA ALA A 59 5.323 0.304 2.834 1.00 0.00 C ATOM 148 C ALA A 59 6.286 0.079 4.003 1.00 0.00 C ATOM 149 O ALA A 59 7.355 0.687 4.060 1.00 0.00 O ATOM 150 CB ALA A 59 5.670 -0.674 1.710 1.00 0.00 C ATOM 0 H ALA A 59 6.006 1.813 1.542 1.00 0.00 H new ATOM 0 HA ALA A 59 4.300 0.128 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.600 -1.696 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.972 -0.540 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.685 -0.483 1.362 1.00 0.00 H new ATOM 156 N PRO A 60 5.919 -0.796 4.949 1.00 0.00 N ATOM 157 CA PRO A 60 6.765 -1.092 6.117 1.00 0.00 C ATOM 158 C PRO A 60 8.002 -1.914 5.755 1.00 0.00 C ATOM 159 O PRO A 60 9.004 -1.897 6.470 1.00 0.00 O ATOM 160 CB PRO A 60 5.848 -1.887 7.044 1.00 0.00 C ATOM 161 CG PRO A 60 4.830 -2.502 6.148 1.00 0.00 C ATOM 162 CD PRO A 60 4.666 -1.576 4.977 1.00 0.00 C ATOM 0 HA PRO A 60 7.155 -0.179 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.404 -2.649 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.381 -1.240 7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.152 -3.490 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.883 -2.634 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.522 -2.130 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.798 -0.929 5.100 1.00 0.00 H new ATOM 170 N LEU A 61 7.923 -2.635 4.639 1.00 0.00 N ATOM 171 CA LEU A 61 9.045 -3.458 4.197 1.00 0.00 C ATOM 172 C LEU A 61 8.899 -3.811 2.720 1.00 0.00 C ATOM 173 O LEU A 61 7.879 -3.519 2.094 1.00 0.00 O ATOM 174 CB LEU A 61 9.119 -4.750 5.012 1.00 0.00 C ATOM 175 CG LEU A 61 7.855 -5.615 4.988 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.237 -7.090 5.138 1.00 0.00 C ATOM 177 CD2 LEU A 61 6.938 -5.209 6.144 1.00 0.00 C ATOM 0 H LEU A 61 7.105 -2.666 4.031 1.00 0.00 H new ATOM 0 HA LEU A 61 9.959 -2.884 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.954 -5.346 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.344 -4.494 6.047 1.00 0.00 H new ATOM 0 HG LEU A 61 7.336 -5.469 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.336 -7.703 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.890 -7.382 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.757 -7.237 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.038 -5.824 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.459 -5.354 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.662 -4.160 6.038 1.00 0.00 H new ATOM 189 N ALA A 62 9.932 -4.444 2.171 1.00 0.00 N ATOM 190 CA ALA A 62 9.912 -4.836 0.764 1.00 0.00 C ATOM 191 C ALA A 62 9.098 -6.112 0.579 1.00 0.00 C ATOM 192 O ALA A 62 9.623 -7.220 0.681 1.00 0.00 O ATOM 193 CB ALA A 62 11.334 -5.074 0.253 1.00 0.00 C ATOM 0 H ALA A 62 10.785 -4.694 2.672 1.00 0.00 H new ATOM 0 HA ALA A 62 9.454 -4.026 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.299 -5.365 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.916 -4.158 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.801 -5.869 0.835 1.00 0.00 H new ATOM 199 N GLY A 63 7.807 -5.941 0.303 1.00 0.00 N ATOM 200 CA GLY A 63 6.923 -7.086 0.103 1.00 0.00 C ATOM 201 C GLY A 63 6.635 -7.290 -1.380 1.00 0.00 C ATOM 202 O GLY A 63 7.047 -6.493 -2.223 1.00 0.00 O ATOM 0 H GLY A 63 7.354 -5.031 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.383 -7.984 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.989 -6.929 0.642 1.00 0.00 H new ATOM 206 N THR A 64 5.919 -8.368 -1.690 1.00 0.00 N ATOM 207 CA THR A 64 5.580 -8.668 -3.080 1.00 0.00 C ATOM 208 C THR A 64 4.105 -8.372 -3.379 1.00 0.00 C ATOM 209 O THR A 64 3.615 -8.684 -4.463 1.00 0.00 O ATOM 210 CB THR A 64 5.859 -10.142 -3.387 1.00 0.00 C ATOM 211 OG1 THR A 64 7.004 -10.565 -2.661 1.00 0.00 O ATOM 212 CG2 THR A 64 6.109 -10.313 -4.886 1.00 0.00 C ATOM 0 H THR A 64 5.566 -9.040 -1.009 1.00 0.00 H new ATOM 0 HA THR A 64 6.200 -8.029 -3.709 1.00 0.00 H new ATOM 0 HB THR A 64 5.000 -10.745 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.184 -11.509 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.308 -11.362 -5.104 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.229 -9.987 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.968 -9.712 -5.182 1.00 0.00 H new ATOM 220 N VAL A 65 3.399 -7.764 -2.419 1.00 0.00 N ATOM 221 CA VAL A 65 1.986 -7.438 -2.614 1.00 0.00 C ATOM 222 C VAL A 65 1.168 -8.714 -2.799 1.00 0.00 C ATOM 223 O VAL A 65 1.372 -9.467 -3.751 1.00 0.00 O ATOM 224 CB VAL A 65 1.799 -6.534 -3.840 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.343 -6.071 -3.920 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.709 -5.308 -3.722 1.00 0.00 C ATOM 0 H VAL A 65 3.778 -7.492 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 65 1.639 -6.909 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 65 2.056 -7.095 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.213 -5.429 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.311 -6.939 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.088 -5.514 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.573 -4.669 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.454 -4.751 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.749 -5.631 -3.667 1.00 0.00 H new ATOM 236 N SER A 66 0.238 -8.946 -1.878 1.00 0.00 N ATOM 237 CA SER A 66 -0.607 -10.135 -1.947 1.00 0.00 C ATOM 238 C SER A 66 -1.934 -9.811 -2.626 1.00 0.00 C ATOM 239 O SER A 66 -2.300 -10.424 -3.629 1.00 0.00 O ATOM 240 CB SER A 66 -0.886 -10.676 -0.544 1.00 0.00 C ATOM 241 OG SER A 66 -1.128 -12.075 -0.621 1.00 0.00 O ATOM 0 H SER A 66 0.051 -8.335 -1.083 1.00 0.00 H new ATOM 0 HA SER A 66 -0.076 -10.889 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.037 -10.477 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.748 -10.169 -0.111 1.00 0.00 H new ATOM 0 HG SER A 66 -1.306 -12.426 0.277 1.00 0.00 H new ATOM 247 N LYS A 67 -2.652 -8.842 -2.065 1.00 0.00 N ATOM 248 CA LYS A 67 -3.942 -8.444 -2.623 1.00 0.00 C ATOM 249 C LYS A 67 -4.270 -7.003 -2.242 1.00 0.00 C ATOM 250 O LYS A 67 -3.920 -6.536 -1.159 1.00 0.00 O ATOM 251 CB LYS A 67 -5.052 -9.363 -2.107 1.00 0.00 C ATOM 252 CG LYS A 67 -6.362 -9.051 -2.836 1.00 0.00 C ATOM 253 CD LYS A 67 -7.375 -10.166 -2.570 1.00 0.00 C ATOM 254 CE LYS A 67 -8.324 -10.289 -3.763 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.391 -9.249 -3.719 1.00 0.00 N ATOM 0 H LYS A 67 -2.368 -8.323 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.878 -8.524 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.776 -10.406 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.181 -9.226 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.760 -8.095 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.181 -8.958 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.857 -11.111 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.940 -9.950 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.759 -10.194 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.779 -11.279 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.018 -9.360 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.944 -9.356 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.956 -8.304 -3.740 1.00 0.00 H new ATOM 269 N ILE A 68 -4.951 -6.308 -3.149 1.00 0.00 N ATOM 270 CA ILE A 68 -5.332 -4.918 -2.905 1.00 0.00 C ATOM 271 C ILE A 68 -6.823 -4.837 -2.586 1.00 0.00 C ATOM 272 O ILE A 68 -7.664 -5.246 -3.386 1.00 0.00 O ATOM 273 CB ILE A 68 -5.038 -4.046 -4.133 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.620 -4.330 -4.644 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.150 -2.567 -3.751 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.428 -3.670 -6.011 1.00 0.00 C ATOM 0 H ILE A 68 -5.248 -6.679 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.748 -4.551 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.759 -4.278 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.884 -3.947 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.459 -5.405 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.941 -1.949 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.158 -2.359 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.431 -2.339 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.420 -3.872 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.155 -4.074 -6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.572 -2.593 -5.919 1.00 0.00 H new ATOM 288 N LEU A 69 -7.142 -4.317 -1.403 1.00 0.00 N ATOM 289 CA LEU A 69 -8.538 -4.203 -0.987 1.00 0.00 C ATOM 290 C LEU A 69 -9.077 -2.793 -1.231 1.00 0.00 C ATOM 291 O LEU A 69 -10.014 -2.353 -0.565 1.00 0.00 O ATOM 292 CB LEU A 69 -8.678 -4.535 0.500 1.00 0.00 C ATOM 293 CG LEU A 69 -8.564 -6.020 0.854 1.00 0.00 C ATOM 294 CD1 LEU A 69 -8.093 -6.165 2.301 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.933 -6.687 0.695 1.00 0.00 C ATOM 0 H LEU A 69 -6.464 -3.972 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.115 -4.911 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.913 -3.988 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.644 -4.169 0.847 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.845 -6.498 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.012 -7.222 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.119 -5.689 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.812 -5.687 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.854 -7.745 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.651 -6.208 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.270 -6.584 -0.336 1.00 0.00 H new ATOM 307 N VAL A 70 -8.482 -2.089 -2.191 1.00 0.00 N ATOM 308 CA VAL A 70 -8.925 -0.733 -2.507 1.00 0.00 C ATOM 309 C VAL A 70 -8.612 -0.390 -3.959 1.00 0.00 C ATOM 310 O VAL A 70 -7.620 -0.853 -4.523 1.00 0.00 O ATOM 311 CB VAL A 70 -8.239 0.289 -1.598 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.684 0.069 -0.151 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.720 0.123 -1.696 1.00 0.00 C ATOM 0 H VAL A 70 -7.704 -2.428 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.002 -0.693 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.515 1.295 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.194 0.798 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.765 0.190 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.410 -0.938 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.232 0.851 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.443 -0.884 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.402 0.283 -2.726 1.00 0.00 H new ATOM 323 N LYS A 71 -9.471 0.430 -4.554 1.00 0.00 N ATOM 324 CA LYS A 71 -9.284 0.841 -5.941 1.00 0.00 C ATOM 325 C LYS A 71 -9.516 2.341 -6.080 1.00 0.00 C ATOM 326 O LYS A 71 -10.130 2.970 -5.219 1.00 0.00 O ATOM 327 CB LYS A 71 -10.260 0.098 -6.858 1.00 0.00 C ATOM 328 CG LYS A 71 -11.687 0.269 -6.332 1.00 0.00 C ATOM 329 CD LYS A 71 -12.670 0.241 -7.505 1.00 0.00 C ATOM 330 CE LYS A 71 -13.976 -0.421 -7.060 1.00 0.00 C ATOM 331 NZ LYS A 71 -15.127 0.033 -7.891 1.00 0.00 N ATOM 0 H LYS A 71 -10.298 0.821 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.262 0.599 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.187 0.485 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.001 -0.960 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.924 -0.527 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.776 1.211 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.864 1.255 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.238 -0.308 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.879 -1.504 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.166 -0.186 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.997 -0.434 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.233 1.064 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.955 -0.214 -8.887 1.00 0.00 H new ATOM 345 N GLU A 72 -9.015 2.908 -7.173 1.00 0.00 N ATOM 346 CA GLU A 72 -9.172 4.341 -7.416 1.00 0.00 C ATOM 347 C GLU A 72 -10.651 4.712 -7.492 1.00 0.00 C ATOM 348 O GLU A 72 -11.303 4.522 -8.519 1.00 0.00 O ATOM 349 CB GLU A 72 -8.491 4.740 -8.728 1.00 0.00 C ATOM 350 CG GLU A 72 -7.007 4.373 -8.664 1.00 0.00 C ATOM 351 CD GLU A 72 -6.340 4.719 -9.991 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.698 5.734 -10.565 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.481 3.962 -10.414 1.00 0.00 O ATOM 0 H GLU A 72 -8.502 2.406 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.706 4.874 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.967 4.231 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.605 5.811 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.523 4.912 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.893 3.310 -8.454 1.00 0.00 H new ATOM 360 N GLY A 73 -11.172 5.241 -6.388 1.00 0.00 N ATOM 361 CA GLY A 73 -12.576 5.634 -6.331 1.00 0.00 C ATOM 362 C GLY A 73 -13.186 5.274 -4.980 1.00 0.00 C ATOM 363 O GLY A 73 -14.095 5.949 -4.496 1.00 0.00 O ATOM 0 H GLY A 73 -10.648 5.406 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.665 6.707 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.130 5.138 -7.128 1.00 0.00 H new ATOM 367 N ASP A 74 -12.676 4.204 -4.375 1.00 0.00 N ATOM 368 CA ASP A 74 -13.179 3.764 -3.077 1.00 0.00 C ATOM 369 C ASP A 74 -12.627 4.649 -1.965 1.00 0.00 C ATOM 370 O ASP A 74 -11.541 5.215 -2.083 1.00 0.00 O ATOM 371 CB ASP A 74 -12.772 2.314 -2.807 1.00 0.00 C ATOM 372 CG ASP A 74 -13.694 1.375 -3.577 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.868 1.686 -3.686 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.212 0.356 -4.046 1.00 0.00 O ATOM 0 H ASP A 74 -11.923 3.632 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.266 3.838 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.737 2.153 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.829 2.102 -1.739 1.00 0.00 H new ATOM 379 N THR A 75 -13.391 4.763 -0.881 1.00 0.00 N ATOM 380 CA THR A 75 -12.971 5.581 0.252 1.00 0.00 C ATOM 381 C THR A 75 -12.404 4.704 1.362 1.00 0.00 C ATOM 382 O THR A 75 -12.997 3.692 1.737 1.00 0.00 O ATOM 383 CB THR A 75 -14.154 6.381 0.803 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.900 6.923 -0.277 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.638 7.514 1.691 1.00 0.00 C ATOM 0 H THR A 75 -14.295 4.304 -0.764 1.00 0.00 H new ATOM 0 HA THR A 75 -12.200 6.268 -0.097 1.00 0.00 H new ATOM 0 HB THR A 75 -14.794 5.725 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.659 7.434 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.482 8.083 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.067 7.095 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.997 8.173 1.105 1.00 0.00 H new ATOM 393 N VAL A 76 -11.247 5.102 1.883 1.00 0.00 N ATOM 394 CA VAL A 76 -10.604 4.344 2.953 1.00 0.00 C ATOM 395 C VAL A 76 -10.540 5.176 4.230 1.00 0.00 C ATOM 396 O VAL A 76 -10.468 6.404 4.186 1.00 0.00 O ATOM 397 CB VAL A 76 -9.183 3.946 2.548 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.243 2.961 1.379 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.406 5.193 2.123 1.00 0.00 C ATOM 0 H VAL A 76 -10.740 5.936 1.586 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.196 3.446 3.132 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.682 3.476 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.231 2.677 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.797 2.072 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.744 3.431 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.394 4.910 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.907 5.663 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.363 5.896 2.955 1.00 0.00 H new ATOM 409 N LYS A 77 -10.566 4.490 5.370 1.00 0.00 N ATOM 410 CA LYS A 77 -10.509 5.172 6.659 1.00 0.00 C ATOM 411 C LYS A 77 -9.186 4.877 7.358 1.00 0.00 C ATOM 412 O LYS A 77 -8.562 3.843 7.126 1.00 0.00 O ATOM 413 CB LYS A 77 -11.661 4.717 7.557 1.00 0.00 C ATOM 414 CG LYS A 77 -12.995 5.047 6.884 1.00 0.00 C ATOM 415 CD LYS A 77 -14.085 5.183 7.950 1.00 0.00 C ATOM 416 CE LYS A 77 -15.269 5.960 7.372 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.124 6.529 8.452 1.00 0.00 N ATOM 0 H LYS A 77 -10.626 3.473 5.428 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.593 6.244 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.590 3.645 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.598 5.212 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.909 5.974 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.261 4.263 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.410 4.197 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.690 5.699 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.902 6.764 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.866 5.301 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.918 7.050 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.493 5.758 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.559 7.176 9.038 1.00 0.00 H new ATOM 431 N ALA A 78 -8.766 5.801 8.217 1.00 0.00 N ATOM 432 CA ALA A 78 -7.512 5.635 8.949 1.00 0.00 C ATOM 433 C ALA A 78 -7.562 4.386 9.823 1.00 0.00 C ATOM 434 O ALA A 78 -8.147 4.390 10.906 1.00 0.00 O ATOM 435 CB ALA A 78 -7.247 6.853 9.838 1.00 0.00 C ATOM 0 H ALA A 78 -9.269 6.664 8.423 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.709 5.534 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.309 6.714 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.180 7.748 9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.062 6.966 10.553 1.00 0.00 H new ATOM 441 N GLY A 79 -6.942 3.314 9.337 1.00 0.00 N ATOM 442 CA GLY A 79 -6.920 2.056 10.081 1.00 0.00 C ATOM 443 C GLY A 79 -7.441 0.909 9.222 1.00 0.00 C ATOM 444 O GLY A 79 -7.018 -0.238 9.370 1.00 0.00 O ATOM 0 H GLY A 79 -6.453 3.289 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.903 1.839 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.530 2.149 10.980 1.00 0.00 H new ATOM 448 N GLN A 80 -8.368 1.229 8.324 1.00 0.00 N ATOM 449 CA GLN A 80 -8.947 0.216 7.444 1.00 0.00 C ATOM 450 C GLN A 80 -7.878 -0.370 6.527 1.00 0.00 C ATOM 451 O GLN A 80 -6.974 0.332 6.074 1.00 0.00 O ATOM 452 CB GLN A 80 -10.058 0.825 6.586 1.00 0.00 C ATOM 453 CG GLN A 80 -10.918 -0.292 5.995 1.00 0.00 C ATOM 454 CD GLN A 80 -11.660 0.230 4.769 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.814 0.647 4.866 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.061 0.232 3.611 1.00 0.00 N ATOM 0 H GLN A 80 -8.732 2.172 8.186 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.362 -0.574 8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.674 1.492 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.626 1.427 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.292 -1.141 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.630 -0.649 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.105 -0.114 3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.549 0.579 2.785 1.00 0.00 H new ATOM 465 N THR A 81 -7.994 -1.668 6.256 1.00 0.00 N ATOM 466 CA THR A 81 -7.036 -2.345 5.388 1.00 0.00 C ATOM 467 C THR A 81 -7.144 -1.813 3.963 1.00 0.00 C ATOM 468 O THR A 81 -8.241 -1.618 3.441 1.00 0.00 O ATOM 469 CB THR A 81 -7.291 -3.854 5.378 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.569 -4.293 6.701 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.056 -4.581 4.846 1.00 0.00 C ATOM 0 H THR A 81 -8.735 -2.267 6.621 1.00 0.00 H new ATOM 0 HA THR A 81 -6.036 -2.151 5.775 1.00 0.00 H new ATOM 0 HB THR A 81 -8.142 -4.074 4.734 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.734 -5.259 6.697 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.241 -5.655 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.844 -4.244 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.201 -4.363 5.487 1.00 0.00 H new ATOM 479 N VAL A 82 -5.991 -1.573 3.344 1.00 0.00 N ATOM 480 CA VAL A 82 -5.970 -1.051 1.979 1.00 0.00 C ATOM 481 C VAL A 82 -5.266 -2.018 1.028 1.00 0.00 C ATOM 482 O VAL A 82 -5.644 -2.143 -0.136 1.00 0.00 O ATOM 483 CB VAL A 82 -5.252 0.300 1.937 1.00 0.00 C ATOM 484 CG1 VAL A 82 -6.030 1.317 2.772 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.840 0.147 2.512 1.00 0.00 C ATOM 0 H VAL A 82 -5.072 -1.728 3.757 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.005 -0.930 1.658 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.191 0.645 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.519 2.279 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.036 1.428 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.091 0.970 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.329 1.109 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.903 -0.199 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.283 -0.579 1.920 1.00 0.00 H new ATOM 495 N LEU A 83 -4.232 -2.692 1.527 1.00 0.00 N ATOM 496 CA LEU A 83 -3.485 -3.629 0.692 1.00 0.00 C ATOM 497 C LEU A 83 -2.709 -4.625 1.553 1.00 0.00 C ATOM 498 O LEU A 83 -2.284 -4.309 2.662 1.00 0.00 O ATOM 499 CB LEU A 83 -2.502 -2.866 -0.202 1.00 0.00 C ATOM 500 CG LEU A 83 -1.543 -3.726 -1.034 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.219 -3.011 -2.347 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.247 -3.947 -0.248 1.00 0.00 C ATOM 0 H LEU A 83 -3.897 -2.610 2.487 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.199 -4.175 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.075 -2.235 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.910 -2.202 0.427 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.013 -4.686 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.537 -3.624 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.139 -2.848 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.750 -2.051 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.436 -4.558 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.218 -2.984 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.472 -4.456 0.689 1.00 0.00 H new ATOM 514 N VAL A 84 -2.525 -5.828 1.016 1.00 0.00 N ATOM 515 CA VAL A 84 -1.789 -6.871 1.729 1.00 0.00 C ATOM 516 C VAL A 84 -0.427 -7.086 1.074 1.00 0.00 C ATOM 517 O VAL A 84 -0.242 -6.802 -0.109 1.00 0.00 O ATOM 518 CB VAL A 84 -2.567 -8.188 1.712 1.00 0.00 C ATOM 519 CG1 VAL A 84 -1.873 -9.204 2.621 1.00 0.00 C ATOM 520 CG2 VAL A 84 -3.993 -7.946 2.217 1.00 0.00 C ATOM 0 H VAL A 84 -2.872 -6.105 0.097 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.656 -6.550 2.762 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.601 -8.574 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.428 -10.142 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.858 -9.378 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.838 -8.817 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.547 -8.884 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.958 -7.559 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.490 -7.223 1.571 1.00 0.00 H new ATOM 530 N LEU A 85 0.527 -7.585 1.856 1.00 0.00 N ATOM 531 CA LEU A 85 1.871 -7.826 1.335 1.00 0.00 C ATOM 532 C LEU A 85 2.275 -9.284 1.542 1.00 0.00 C ATOM 533 O LEU A 85 1.569 -10.055 2.191 1.00 0.00 O ATOM 534 CB LEU A 85 2.885 -6.912 2.034 1.00 0.00 C ATOM 535 CG LEU A 85 3.230 -5.624 1.282 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.138 -4.582 1.523 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.570 -5.085 1.789 1.00 0.00 C ATOM 0 H LEU A 85 0.399 -7.828 2.838 1.00 0.00 H new ATOM 0 HA LEU A 85 1.864 -7.607 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.494 -6.646 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.804 -7.475 2.199 1.00 0.00 H new ATOM 0 HG LEU A 85 3.300 -5.834 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.385 -3.666 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.183 -4.966 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.066 -4.370 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.819 -4.168 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.498 -4.876 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.349 -5.827 1.617 1.00 0.00 H new ATOM 549 N GLU A 86 3.423 -9.647 0.977 1.00 0.00 N ATOM 550 CA GLU A 86 3.927 -11.012 1.098 1.00 0.00 C ATOM 551 C GLU A 86 5.428 -11.000 1.370 1.00 0.00 C ATOM 552 O GLU A 86 6.232 -10.711 0.483 1.00 0.00 O ATOM 553 CB GLU A 86 3.661 -11.796 -0.188 1.00 0.00 C ATOM 554 CG GLU A 86 2.241 -12.363 -0.158 1.00 0.00 C ATOM 555 CD GLU A 86 2.144 -13.544 -1.116 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.468 -14.646 -0.702 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.746 -13.331 -2.249 1.00 0.00 O ATOM 0 H GLU A 86 4.018 -9.021 0.435 1.00 0.00 H new ATOM 0 HA GLU A 86 3.409 -11.491 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.786 -11.146 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.385 -12.605 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.986 -12.680 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.524 -11.592 -0.441 1.00 0.00 H new ATOM 630 N GLU A 91 1.538 -13.437 5.655 1.00 0.00 N ATOM 631 CA GLU A 91 0.588 -12.437 5.177 1.00 0.00 C ATOM 632 C GLU A 91 0.662 -11.180 6.036 1.00 0.00 C ATOM 633 O GLU A 91 0.384 -11.211 7.234 1.00 0.00 O ATOM 634 CB GLU A 91 -0.839 -12.989 5.225 1.00 0.00 C ATOM 635 CG GLU A 91 -1.139 -13.743 3.927 1.00 0.00 C ATOM 636 CD GLU A 91 -2.627 -13.635 3.609 1.00 0.00 C ATOM 637 OE1 GLU A 91 -3.014 -12.641 3.016 1.00 0.00 O ATOM 638 OE2 GLU A 91 -3.356 -14.547 3.961 1.00 0.00 O ATOM 0 HA GLU A 91 0.848 -12.190 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.954 -13.655 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.551 -12.174 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.550 -13.329 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.853 -14.790 4.027 1.00 0.00 H new ATOM 645 N THR A 92 1.040 -10.070 5.407 1.00 0.00 N ATOM 646 CA THR A 92 1.149 -8.801 6.121 1.00 0.00 C ATOM 647 C THR A 92 0.179 -7.781 5.537 1.00 0.00 C ATOM 648 O THR A 92 0.418 -7.214 4.470 1.00 0.00 O ATOM 649 CB THR A 92 2.573 -8.250 6.023 1.00 0.00 C ATOM 650 OG1 THR A 92 3.492 -9.331 5.949 1.00 0.00 O ATOM 651 CG2 THR A 92 2.879 -7.400 7.257 1.00 0.00 C ATOM 0 H THR A 92 1.274 -10.023 4.415 1.00 0.00 H new ATOM 0 HA THR A 92 0.904 -8.980 7.168 1.00 0.00 H new ATOM 0 HB THR A 92 2.664 -7.633 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.405 -8.980 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.894 -7.008 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.173 -6.571 7.312 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.789 -8.014 8.153 1.00 0.00 H new ATOM 659 N GLU A 93 -0.922 -7.555 6.248 1.00 0.00 N ATOM 660 CA GLU A 93 -1.929 -6.601 5.790 1.00 0.00 C ATOM 661 C GLU A 93 -1.502 -5.173 6.111 1.00 0.00 C ATOM 662 O GLU A 93 -0.901 -4.906 7.152 1.00 0.00 O ATOM 663 CB GLU A 93 -3.278 -6.883 6.457 1.00 0.00 C ATOM 664 CG GLU A 93 -3.104 -6.916 7.977 1.00 0.00 C ATOM 665 CD GLU A 93 -4.408 -6.494 8.648 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.267 -7.345 8.813 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.528 -5.327 8.985 1.00 0.00 O ATOM 0 H GLU A 93 -1.139 -8.013 7.133 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.028 -6.713 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.999 -6.114 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.676 -7.835 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.824 -7.919 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.296 -6.248 8.276 1.00 0.00 H new ATOM 674 N ILE A 94 -1.822 -4.257 5.202 1.00 0.00 N ATOM 675 CA ILE A 94 -1.474 -2.851 5.389 1.00 0.00 C ATOM 676 C ILE A 94 -2.720 -2.047 5.749 1.00 0.00 C ATOM 677 O ILE A 94 -3.842 -2.447 5.441 1.00 0.00 O ATOM 678 CB ILE A 94 -0.856 -2.276 4.109 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.308 -3.170 3.648 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.345 -0.856 4.374 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.396 -3.232 4.728 1.00 0.00 C ATOM 0 H ILE A 94 -2.318 -4.460 4.334 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.748 -2.783 6.199 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.615 -2.244 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.059 -4.174 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.729 -2.781 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.093 -0.451 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.175 -0.224 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.410 -0.882 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.212 -3.868 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.775 -2.228 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.975 -3.643 5.645 1.00 0.00 H new ATOM 693 N ASN A 95 -2.510 -0.912 6.407 1.00 0.00 N ATOM 694 CA ASN A 95 -3.626 -0.060 6.808 1.00 0.00 C ATOM 695 C ASN A 95 -3.329 1.399 6.477 1.00 0.00 C ATOM 696 O ASN A 95 -2.194 1.860 6.595 1.00 0.00 O ATOM 697 CB ASN A 95 -3.883 -0.185 8.312 1.00 0.00 C ATOM 698 CG ASN A 95 -4.081 -1.654 8.673 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.047 -2.378 9.001 1.00 0.00 O flip ATOM 700 ND2 ASN A 95 -5.205 -2.157 8.658 1.00 0.00 N flip ATOM 0 H ASN A 95 -1.589 -0.563 6.672 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.510 -0.386 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.043 0.228 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.765 0.391 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.014 -1.591 8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.327 -3.140 8.902 1.00 0.00 H new ATOM 707 N ALA A 96 -4.366 2.120 6.061 1.00 0.00 N ATOM 708 CA ALA A 96 -4.211 3.530 5.715 1.00 0.00 C ATOM 709 C ALA A 96 -3.806 4.339 6.950 1.00 0.00 C ATOM 710 O ALA A 96 -4.283 4.076 8.053 1.00 0.00 O ATOM 711 CB ALA A 96 -5.521 4.091 5.158 1.00 0.00 C ATOM 0 H ALA A 96 -5.313 1.757 5.956 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.432 3.609 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.388 5.143 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.803 3.536 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.306 3.995 5.908 1.00 0.00 H new ATOM 717 N PRO A 97 -2.921 5.335 6.784 1.00 0.00 N ATOM 718 CA PRO A 97 -2.466 6.172 7.905 1.00 0.00 C ATOM 719 C PRO A 97 -3.538 7.158 8.364 1.00 0.00 C ATOM 720 O PRO A 97 -3.670 7.446 9.553 1.00 0.00 O ATOM 721 CB PRO A 97 -1.262 6.920 7.341 1.00 0.00 C ATOM 722 CG PRO A 97 -1.479 6.956 5.867 1.00 0.00 C ATOM 723 CD PRO A 97 -2.286 5.738 5.515 1.00 0.00 C ATOM 0 HA PRO A 97 -2.231 5.572 8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.195 7.927 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.331 6.411 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.005 7.865 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.527 6.955 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.031 5.963 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.653 4.944 5.118 1.00 0.00 H new ATOM 731 N THR A 98 -4.302 7.670 7.404 1.00 0.00 N ATOM 732 CA THR A 98 -5.363 8.624 7.714 1.00 0.00 C ATOM 733 C THR A 98 -6.545 8.431 6.770 1.00 0.00 C ATOM 734 O THR A 98 -6.417 7.825 5.706 1.00 0.00 O ATOM 735 CB THR A 98 -4.849 10.060 7.579 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.954 10.139 6.479 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.122 10.467 8.861 1.00 0.00 C ATOM 0 H THR A 98 -4.209 7.444 6.414 1.00 0.00 H new ATOM 0 HA THR A 98 -5.684 8.448 8.741 1.00 0.00 H new ATOM 0 HB THR A 98 -5.690 10.733 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.625 11.058 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.757 11.489 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.810 10.407 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.280 9.796 9.031 1.00 0.00 H new ATOM 745 N ASP A 99 -7.700 8.953 7.173 1.00 0.00 N ATOM 746 CA ASP A 99 -8.905 8.832 6.355 1.00 0.00 C ATOM 747 C ASP A 99 -8.737 9.599 5.048 1.00 0.00 C ATOM 748 O ASP A 99 -8.140 10.675 5.013 1.00 0.00 O ATOM 749 CB ASP A 99 -10.121 9.383 7.103 1.00 0.00 C ATOM 750 CG ASP A 99 -9.826 10.799 7.586 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.033 10.938 8.502 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.399 11.724 7.033 1.00 0.00 O ATOM 0 H ASP A 99 -7.828 9.458 8.050 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.062 7.775 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.993 9.385 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.361 8.741 7.951 1.00 0.00 H new ATOM 757 N GLY A 100 -9.273 9.033 3.971 1.00 0.00 N ATOM 758 CA GLY A 100 -9.179 9.670 2.660 1.00 0.00 C ATOM 759 C GLY A 100 -9.778 8.778 1.578 1.00 0.00 C ATOM 760 O GLY A 100 -10.591 7.898 1.858 1.00 0.00 O ATOM 0 H GLY A 100 -9.772 8.144 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.700 10.627 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.135 9.880 2.427 1.00 0.00 H new ATOM 764 N LYS A 101 -9.367 9.021 0.336 1.00 0.00 N ATOM 765 CA LYS A 101 -9.868 8.237 -0.789 1.00 0.00 C ATOM 766 C LYS A 101 -8.724 7.843 -1.719 1.00 0.00 C ATOM 767 O LYS A 101 -7.764 8.593 -1.898 1.00 0.00 O ATOM 768 CB LYS A 101 -10.901 9.040 -1.583 1.00 0.00 C ATOM 769 CG LYS A 101 -11.666 8.107 -2.523 1.00 0.00 C ATOM 770 CD LYS A 101 -12.246 8.914 -3.685 1.00 0.00 C ATOM 771 CE LYS A 101 -13.493 9.663 -3.213 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.222 10.280 -4.358 1.00 0.00 N ATOM 0 H LYS A 101 -8.696 9.747 0.085 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.336 7.338 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.594 9.534 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.405 9.823 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.001 7.331 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.467 7.604 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.504 9.620 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.498 8.251 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.155 8.976 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.207 10.438 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.063 10.781 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.597 10.954 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.516 9.537 -5.024 1.00 0.00 H new ATOM 786 N VAL A 102 -8.840 6.656 -2.309 1.00 0.00 N ATOM 787 CA VAL A 102 -7.812 6.166 -3.224 1.00 0.00 C ATOM 788 C VAL A 102 -7.897 6.903 -4.557 1.00 0.00 C ATOM 789 O VAL A 102 -8.843 6.724 -5.324 1.00 0.00 O ATOM 790 CB VAL A 102 -7.990 4.662 -3.464 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.818 4.128 -4.290 1.00 0.00 C ATOM 792 CG2 VAL A 102 -8.038 3.933 -2.117 1.00 0.00 C ATOM 0 H VAL A 102 -9.627 6.021 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.836 6.347 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.920 4.491 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.949 3.059 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.784 4.645 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.886 4.299 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.165 2.864 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.108 4.107 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.876 4.309 -1.529 1.00 0.00 H new ATOM 802 N GLU A 103 -6.896 7.739 -4.821 1.00 0.00 N ATOM 803 CA GLU A 103 -6.864 8.505 -6.064 1.00 0.00 C ATOM 804 C GLU A 103 -6.025 7.788 -7.119 1.00 0.00 C ATOM 805 O GLU A 103 -6.271 7.919 -8.319 1.00 0.00 O ATOM 806 CB GLU A 103 -6.278 9.899 -5.822 1.00 0.00 C ATOM 807 CG GLU A 103 -4.915 9.773 -5.137 1.00 0.00 C ATOM 808 CD GLU A 103 -4.178 11.106 -5.223 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.645 11.397 -6.281 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.158 11.814 -4.230 1.00 0.00 O ATOM 0 H GLU A 103 -6.105 7.902 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.889 8.599 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.173 10.429 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.955 10.486 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.045 9.484 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.327 8.989 -5.614 1.00 0.00 H new ATOM 817 N LYS A 104 -5.031 7.030 -6.663 1.00 0.00 N ATOM 818 CA LYS A 104 -4.162 6.299 -7.581 1.00 0.00 C ATOM 819 C LYS A 104 -3.446 5.167 -6.852 1.00 0.00 C ATOM 820 O LYS A 104 -2.934 5.347 -5.747 1.00 0.00 O ATOM 821 CB LYS A 104 -3.117 7.239 -8.189 1.00 0.00 C ATOM 822 CG LYS A 104 -2.605 6.654 -9.507 1.00 0.00 C ATOM 823 CD LYS A 104 -3.388 7.259 -10.677 1.00 0.00 C ATOM 824 CE LYS A 104 -2.442 7.508 -11.854 1.00 0.00 C ATOM 825 NZ LYS A 104 -1.705 8.795 -11.696 1.00 0.00 N ATOM 0 H LYS A 104 -4.809 6.906 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.784 5.883 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.554 8.222 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.288 7.376 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.541 6.864 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.717 5.570 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.190 6.585 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.856 8.194 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.730 6.686 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.011 7.525 -12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.072 8.935 -12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.385 9.581 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.143 8.768 -10.821 1.00 0.00 H new ATOM 839 N VAL A 105 -3.416 3.998 -7.485 1.00 0.00 N ATOM 840 CA VAL A 105 -2.757 2.838 -6.890 1.00 0.00 C ATOM 841 C VAL A 105 -1.383 2.631 -7.521 1.00 0.00 C ATOM 842 O VAL A 105 -1.271 2.234 -8.681 1.00 0.00 O ATOM 843 CB VAL A 105 -3.597 1.573 -7.097 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.996 0.419 -6.288 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.034 1.829 -6.632 1.00 0.00 C ATOM 0 H VAL A 105 -3.835 3.829 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.646 3.025 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.600 1.311 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.595 -0.480 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.975 0.234 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.990 0.681 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.630 0.929 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.033 2.094 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.463 2.647 -7.210 1.00 0.00 H new ATOM 855 N LEU A 106 -0.339 2.904 -6.742 1.00 0.00 N ATOM 856 CA LEU A 106 1.034 2.748 -7.228 1.00 0.00 C ATOM 857 C LEU A 106 1.574 1.340 -6.954 1.00 0.00 C ATOM 858 O LEU A 106 2.778 1.156 -6.772 1.00 0.00 O ATOM 859 CB LEU A 106 1.953 3.768 -6.555 1.00 0.00 C ATOM 860 CG LEU A 106 1.524 5.230 -6.696 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.307 6.090 -5.702 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.811 5.709 -8.121 1.00 0.00 C ATOM 0 H LEU A 106 -0.414 3.232 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 106 1.016 2.912 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.020 3.527 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.955 3.659 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 106 0.457 5.318 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.001 7.131 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.104 5.749 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.374 6.003 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.506 6.750 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.878 5.622 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.254 5.097 -8.830 1.00 0.00 H new ATOM 874 N VAL A 107 0.686 0.347 -6.925 1.00 0.00 N ATOM 875 CA VAL A 107 1.104 -1.028 -6.671 1.00 0.00 C ATOM 876 C VAL A 107 0.100 -2.007 -7.270 1.00 0.00 C ATOM 877 O VAL A 107 -1.104 -1.751 -7.287 1.00 0.00 O ATOM 878 CB VAL A 107 1.215 -1.287 -5.168 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.346 -0.439 -4.586 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.103 -0.910 -4.488 1.00 0.00 C ATOM 0 H VAL A 107 -0.316 0.468 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 107 2.079 -1.174 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 107 1.426 -2.343 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.425 -0.624 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.286 -0.704 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.135 0.616 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.025 -1.094 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.312 0.146 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.911 -1.513 -4.902 1.00 0.00 H new ATOM 890 N LYS A 108 0.610 -3.133 -7.758 1.00 0.00 N ATOM 891 CA LYS A 108 -0.251 -4.151 -8.354 1.00 0.00 C ATOM 892 C LYS A 108 0.012 -5.508 -7.710 1.00 0.00 C ATOM 893 O LYS A 108 1.051 -5.727 -7.089 1.00 0.00 O ATOM 894 CB LYS A 108 0.006 -4.256 -9.859 1.00 0.00 C ATOM 895 CG LYS A 108 -0.547 -3.013 -10.560 1.00 0.00 C ATOM 896 CD LYS A 108 -1.967 -3.296 -11.057 1.00 0.00 C ATOM 897 CE LYS A 108 -2.750 -1.984 -11.137 1.00 0.00 C ATOM 898 NZ LYS A 108 -3.505 -1.724 -9.879 1.00 0.00 N ATOM 0 H LYS A 108 1.604 -3.363 -7.754 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.287 -3.860 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.075 -4.349 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.468 -5.153 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.553 -2.167 -9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.095 -2.739 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.933 -3.772 -12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.468 -3.991 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.063 -1.160 -11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.443 -2.023 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.025 -0.828 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.177 -2.500 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.840 -1.663 -9.081 1.00 0.00 H new ATOM 912 N GLU A 109 -0.946 -6.419 -7.863 1.00 0.00 N ATOM 913 CA GLU A 109 -0.812 -7.758 -7.292 1.00 0.00 C ATOM 914 C GLU A 109 0.416 -8.463 -7.863 1.00 0.00 C ATOM 915 O GLU A 109 0.745 -8.314 -9.040 1.00 0.00 O ATOM 916 CB GLU A 109 -2.054 -8.598 -7.597 1.00 0.00 C ATOM 917 CG GLU A 109 -3.257 -8.019 -6.850 1.00 0.00 C ATOM 918 CD GLU A 109 -4.534 -8.692 -7.343 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.495 -9.887 -7.584 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.532 -8.003 -7.472 1.00 0.00 O ATOM 0 H GLU A 109 -1.815 -6.258 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.701 -7.652 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.247 -8.605 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.889 -9.633 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.142 -8.175 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.315 -6.943 -7.011 1.00 0.00 H new ATOM 927 N ARG A 110 1.091 -9.233 -7.012 1.00 0.00 N ATOM 928 CA ARG A 110 2.287 -9.959 -7.435 1.00 0.00 C ATOM 929 C ARG A 110 3.368 -8.985 -7.897 1.00 0.00 C ATOM 930 O ARG A 110 4.136 -9.274 -8.815 1.00 0.00 O ATOM 931 CB ARG A 110 1.955 -10.922 -8.581 1.00 0.00 C ATOM 932 CG ARG A 110 2.783 -12.206 -8.434 1.00 0.00 C ATOM 933 CD ARG A 110 3.334 -12.625 -9.798 1.00 0.00 C ATOM 934 NE ARG A 110 2.304 -13.297 -10.586 1.00 0.00 N ATOM 935 CZ ARG A 110 2.226 -13.122 -11.903 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.708 -12.027 -12.386 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.668 -14.047 -12.710 1.00 0.00 N ATOM 0 H ARG A 110 0.834 -9.370 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 110 2.654 -10.528 -6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.891 -11.161 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.167 -10.449 -9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.603 -12.043 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.165 -13.003 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.695 -11.748 -10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.187 -13.290 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 110 1.635 -13.909 -10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.363 -11.304 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.648 -11.893 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.073 -14.903 -12.331 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.609 -13.914 -13.720 1.00 0.00 H new ATOM 951 N ASP A 111 3.417 -7.825 -7.248 1.00 0.00 N ATOM 952 CA ASP A 111 4.407 -6.809 -7.596 1.00 0.00 C ATOM 953 C ASP A 111 5.387 -6.605 -6.444 1.00 0.00 C ATOM 954 O ASP A 111 5.002 -6.603 -5.275 1.00 0.00 O ATOM 955 CB ASP A 111 3.721 -5.477 -7.907 1.00 0.00 C ATOM 956 CG ASP A 111 4.670 -4.593 -8.710 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.631 -4.112 -8.133 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.421 -4.410 -9.890 1.00 0.00 O ATOM 0 H ASP A 111 2.790 -7.566 -6.486 1.00 0.00 H new ATOM 0 HA ASP A 111 4.947 -7.153 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.804 -5.650 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.437 -4.977 -6.981 1.00 0.00 H new ATOM 963 N ALA A 112 6.660 -6.435 -6.789 1.00 0.00 N ATOM 964 CA ALA A 112 7.692 -6.232 -5.778 1.00 0.00 C ATOM 965 C ALA A 112 7.839 -4.749 -5.454 1.00 0.00 C ATOM 966 O ALA A 112 8.041 -3.921 -6.343 1.00 0.00 O ATOM 967 CB ALA A 112 9.038 -6.770 -6.268 1.00 0.00 C ATOM 0 H ALA A 112 6.999 -6.434 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 112 7.391 -6.772 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.795 -6.610 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.950 -7.837 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.329 -6.247 -7.179 1.00 0.00 H new ATOM 973 N VAL A 113 7.737 -4.423 -4.169 1.00 0.00 N ATOM 974 CA VAL A 113 7.862 -3.036 -3.730 1.00 0.00 C ATOM 975 C VAL A 113 8.994 -2.899 -2.718 1.00 0.00 C ATOM 976 O VAL A 113 9.389 -3.869 -2.072 1.00 0.00 O ATOM 977 CB VAL A 113 6.558 -2.557 -3.090 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.456 -2.507 -4.148 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.152 -3.526 -1.977 1.00 0.00 C ATOM 0 H VAL A 113 7.570 -5.093 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 113 8.081 -2.424 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 113 6.704 -1.561 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.528 -2.166 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.744 -1.818 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.309 -3.502 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.223 -3.186 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.007 -4.522 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.937 -3.561 -1.221 1.00 0.00 H new ATOM 989 N GLN A 114 9.511 -1.681 -2.588 1.00 0.00 N ATOM 990 CA GLN A 114 10.602 -1.424 -1.651 1.00 0.00 C ATOM 991 C GLN A 114 10.056 -0.881 -0.335 1.00 0.00 C ATOM 992 O GLN A 114 9.090 -0.117 -0.314 1.00 0.00 O ATOM 993 CB GLN A 114 11.585 -0.410 -2.238 1.00 0.00 C ATOM 994 CG GLN A 114 12.046 -0.885 -3.617 1.00 0.00 C ATOM 995 CD GLN A 114 13.122 0.057 -4.147 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.950 1.276 -4.136 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.235 -0.440 -4.616 1.00 0.00 N ATOM 0 H GLN A 114 9.197 -0.864 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 114 11.119 -2.367 -1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.110 0.568 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.443 -0.294 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.437 -1.900 -3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.201 -0.913 -4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.379 -1.450 -4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.961 0.182 -4.973 1.00 0.00 H new ATOM 1006 N GLY A 115 10.687 -1.282 0.765 1.00 0.00 N ATOM 1007 CA GLY A 115 10.259 -0.828 2.087 1.00 0.00 C ATOM 1008 C GLY A 115 10.375 0.687 2.199 1.00 0.00 C ATOM 1009 O GLY A 115 11.427 1.219 2.551 1.00 0.00 O ATOM 0 H GLY A 115 11.488 -1.913 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.228 -1.133 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.870 -1.302 2.855 1.00 0.00 H new ATOM 1013 N GLY A 116 9.280 1.377 1.891 1.00 0.00 N ATOM 1014 CA GLY A 116 9.267 2.836 1.957 1.00 0.00 C ATOM 1015 C GLY A 116 8.564 3.431 0.739 1.00 0.00 C ATOM 1016 O GLY A 116 7.999 4.522 0.805 1.00 0.00 O ATOM 0 H GLY A 116 8.399 0.955 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.761 3.158 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.289 3.211 2.011 1.00 0.00 H new ATOM 1020 N GLN A 117 8.605 2.701 -0.376 1.00 0.00 N ATOM 1021 CA GLN A 117 7.968 3.168 -1.606 1.00 0.00 C ATOM 1022 C GLN A 117 6.467 3.347 -1.397 1.00 0.00 C ATOM 1023 O GLN A 117 5.822 2.552 -0.712 1.00 0.00 O ATOM 1024 CB GLN A 117 8.197 2.163 -2.738 1.00 0.00 C ATOM 1025 CG GLN A 117 7.754 2.779 -4.068 1.00 0.00 C ATOM 1026 CD GLN A 117 7.152 1.695 -4.956 1.00 0.00 C ATOM 1027 OE1 GLN A 117 6.435 0.817 -4.476 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.404 1.703 -6.237 1.00 0.00 N ATOM 0 H GLN A 117 9.067 1.795 -0.453 1.00 0.00 H new ATOM 0 HA GLN A 117 8.413 4.127 -1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.251 1.888 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.637 1.248 -2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.022 3.566 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.605 3.242 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.998 2.430 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.007 0.982 -6.839 1.00 0.00 H new ATOM 1037 N GLY A 118 5.919 4.401 -1.995 1.00 0.00 N ATOM 1038 CA GLY A 118 4.489 4.678 -1.871 1.00 0.00 C ATOM 1039 C GLY A 118 3.665 3.531 -2.443 1.00 0.00 C ATOM 1040 O GLY A 118 3.825 3.150 -3.603 1.00 0.00 O ATOM 0 H GLY A 118 6.435 5.071 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.233 4.829 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.246 5.603 -2.394 1.00 0.00 H new ATOM 1044 N LEU A 119 2.784 2.981 -1.613 1.00 0.00 N ATOM 1045 CA LEU A 119 1.938 1.871 -2.042 1.00 0.00 C ATOM 1046 C LEU A 119 0.672 2.392 -2.715 1.00 0.00 C ATOM 1047 O LEU A 119 0.328 1.983 -3.824 1.00 0.00 O ATOM 1048 CB LEU A 119 1.543 1.006 -0.844 1.00 0.00 C ATOM 1049 CG LEU A 119 2.691 0.244 -0.179 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.161 -0.515 1.039 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.287 -0.751 -1.179 1.00 0.00 C ATOM 0 H LEU A 119 2.637 3.281 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 119 2.507 1.272 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.071 1.644 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.792 0.286 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 119 3.460 0.948 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.978 -1.058 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.734 0.192 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.393 -1.220 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.105 -1.295 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.517 -1.455 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.663 -0.212 -2.048 1.00 0.00 H new ATOM 1063 N ILE A 120 -0.020 3.297 -2.029 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.252 3.869 -2.567 1.00 0.00 C ATOM 1065 C ILE A 120 -1.335 5.357 -2.239 1.00 0.00 C ATOM 1066 O ILE A 120 -0.812 5.814 -1.224 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.474 3.159 -1.977 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.330 1.647 -2.172 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.742 3.641 -2.686 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.459 0.927 -1.432 1.00 0.00 C ATOM 0 H ILE A 120 0.247 3.648 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.242 3.735 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.543 3.387 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.362 1.402 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.363 1.312 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.610 3.134 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.848 4.717 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.672 3.415 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.357 -0.149 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.406 1.163 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.420 1.254 -1.828 1.00 0.00 H new ATOM 1082 N LYS A 121 -2.000 6.106 -3.115 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.150 7.544 -2.915 1.00 0.00 C ATOM 1084 C LYS A 121 -3.507 7.853 -2.288 1.00 0.00 C ATOM 1085 O LYS A 121 -4.548 7.412 -2.777 1.00 0.00 O ATOM 1086 CB LYS A 121 -2.036 8.284 -4.250 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.579 8.687 -4.486 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.528 9.876 -5.447 1.00 0.00 C ATOM 1089 CE LYS A 121 0.654 10.775 -5.084 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.494 12.142 -5.658 1.00 0.00 N ATOM 0 H LYS A 121 -2.439 5.745 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.356 7.878 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.384 7.646 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.673 9.169 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.105 8.950 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.021 7.847 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.429 9.523 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.458 10.441 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.743 10.842 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.578 10.330 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.312 12.727 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.434 12.079 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.376 12.575 -5.287 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.483 8.616 -1.199 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.717 8.981 -0.510 1.00 0.00 C ATOM 1106 C ILE A 122 -5.050 10.448 -0.754 1.00 0.00 C ATOM 1107 O ILE A 122 -4.163 11.299 -0.826 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.581 8.742 0.997 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.079 7.312 1.257 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.941 8.944 1.676 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.067 6.285 0.687 1.00 0.00 C ATOM 0 H ILE A 122 -2.633 8.990 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.519 8.357 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.863 9.452 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.099 7.175 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.956 7.152 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.841 8.773 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.287 9.963 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.663 8.240 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.697 5.278 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.039 6.412 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.168 6.435 -0.388 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.342 10.735 -0.879 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.791 12.105 -1.115 1.00 0.00 C ATOM 1125 C GLY A 123 -6.678 12.938 0.157 1.00 0.00 C ATOM 1126 O GLY A 123 -6.385 14.117 0.045 1.00 0.00 O ATOM 1127 OXT GLY A 123 -6.885 12.385 1.224 1.00 0.00 O ATOM 0 H GLY A 123 -7.091 10.045 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.193 12.557 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.825 12.099 -1.461 1.00 0.00 H new