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 -171:sc= 1.24 USER MOD Set 1.2: A 95 ASN : amide:sc= -0.124 K(o=1.1,f=-0.78) USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0.241 USER MOD Set 2.2: A 101 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.137) 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 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.02) 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 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= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.346 9.533 -0.418 1.00 0.00 N ATOM 99 CA GLU A 56 1.677 8.141 -0.708 1.00 0.00 C ATOM 100 C GLU A 56 1.987 7.389 0.583 1.00 0.00 C ATOM 101 O GLU A 56 2.806 7.825 1.391 1.00 0.00 O ATOM 102 CB GLU A 56 2.892 8.061 -1.636 1.00 0.00 C ATOM 103 CG GLU A 56 2.643 8.918 -2.878 1.00 0.00 C ATOM 104 CD GLU A 56 3.968 9.191 -3.582 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.421 8.320 -4.308 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.511 10.265 -3.385 1.00 0.00 O ATOM 0 HA GLU A 56 0.817 7.685 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.784 8.408 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.074 7.026 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.958 8.406 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.169 9.858 -2.595 1.00 0.00 H new ATOM 113 N ILE A 57 1.321 6.252 0.765 1.00 0.00 N ATOM 114 CA ILE A 57 1.529 5.440 1.961 1.00 0.00 C ATOM 115 C ILE A 57 2.810 4.606 1.821 1.00 0.00 C ATOM 116 O ILE A 57 2.864 3.686 1.004 1.00 0.00 O ATOM 117 CB ILE A 57 0.343 4.496 2.178 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.960 5.299 2.168 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.491 3.788 3.527 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.151 4.343 2.097 1.00 0.00 C ATOM 0 H ILE A 57 0.639 5.874 0.107 1.00 0.00 H new ATOM 0 HA ILE A 57 1.621 6.111 2.815 1.00 0.00 H new ATOM 0 HB ILE A 57 0.321 3.756 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.027 5.914 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.974 5.978 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.354 3.116 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.417 3.214 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.515 4.529 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.078 4.916 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.086 3.748 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.140 3.682 2.964 1.00 0.00 H new ATOM 132 N PRO A 58 3.855 4.910 2.608 1.00 0.00 N ATOM 133 CA PRO A 58 5.123 4.165 2.542 1.00 0.00 C ATOM 134 C PRO A 58 4.998 2.757 3.117 1.00 0.00 C ATOM 135 O PRO A 58 4.474 2.562 4.214 1.00 0.00 O ATOM 136 CB PRO A 58 6.086 5.001 3.382 1.00 0.00 C ATOM 137 CG PRO A 58 5.217 5.759 4.325 1.00 0.00 C ATOM 138 CD PRO A 58 3.911 5.983 3.619 1.00 0.00 C ATOM 0 HA PRO A 58 5.454 4.026 1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.793 4.368 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.672 5.675 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.067 5.200 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.678 6.708 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.070 5.923 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.873 6.969 3.155 1.00 0.00 H new ATOM 146 N ALA A 59 5.487 1.777 2.363 1.00 0.00 N ATOM 147 CA ALA A 59 5.427 0.386 2.805 1.00 0.00 C ATOM 148 C ALA A 59 6.350 0.169 4.008 1.00 0.00 C ATOM 149 O ALA A 59 7.414 0.781 4.097 1.00 0.00 O ATOM 150 CB ALA A 59 5.849 -0.554 1.674 1.00 0.00 C ATOM 0 H ALA A 59 5.925 1.917 1.452 1.00 0.00 H new ATOM 0 HA ALA A 59 4.399 0.167 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.798 -1.586 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.180 -0.424 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.870 -0.323 1.371 1.00 0.00 H new ATOM 156 N PRO A 60 5.956 -0.702 4.947 1.00 0.00 N ATOM 157 CA PRO A 60 6.764 -0.985 6.142 1.00 0.00 C ATOM 158 C PRO A 60 7.994 -1.834 5.822 1.00 0.00 C ATOM 159 O PRO A 60 9.015 -1.756 6.504 1.00 0.00 O ATOM 160 CB PRO A 60 5.813 -1.751 7.057 1.00 0.00 C ATOM 161 CG PRO A 60 4.813 -2.376 6.145 1.00 0.00 C ATOM 162 CD PRO A 60 4.704 -1.485 4.941 1.00 0.00 C ATOM 0 HA PRO A 60 7.153 -0.070 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.345 -2.506 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.331 -1.084 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.128 -3.379 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.847 -2.475 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.604 -2.066 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.830 -0.837 5.005 1.00 0.00 H new ATOM 170 N LEU A 61 7.882 -2.645 4.772 1.00 0.00 N ATOM 171 CA LEU A 61 8.989 -3.507 4.364 1.00 0.00 C ATOM 172 C LEU A 61 8.820 -3.935 2.911 1.00 0.00 C ATOM 173 O LEU A 61 7.733 -3.835 2.341 1.00 0.00 O ATOM 174 CB LEU A 61 9.052 -4.755 5.246 1.00 0.00 C ATOM 175 CG LEU A 61 7.775 -5.600 5.282 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.137 -7.075 5.468 1.00 0.00 C ATOM 177 CD2 LEU A 61 6.894 -5.142 6.446 1.00 0.00 C ATOM 0 H LEU A 61 7.045 -2.723 4.194 1.00 0.00 H new ATOM 0 HA LEU A 61 9.914 -2.940 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.873 -5.383 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.293 -4.448 6.264 1.00 0.00 H new ATOM 0 HG LEU A 61 7.235 -5.477 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.226 -7.673 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.764 -7.403 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.680 -7.201 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.985 -5.743 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.437 -5.264 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.632 -4.092 6.313 1.00 0.00 H new ATOM 189 N ALA A 62 9.909 -4.415 2.318 1.00 0.00 N ATOM 190 CA ALA A 62 9.873 -4.858 0.927 1.00 0.00 C ATOM 191 C ALA A 62 9.377 -6.299 0.842 1.00 0.00 C ATOM 192 O ALA A 62 10.038 -7.227 1.308 1.00 0.00 O ATOM 193 CB ALA A 62 11.265 -4.771 0.300 1.00 0.00 C ATOM 0 H ALA A 62 10.818 -4.507 2.772 1.00 0.00 H new ATOM 0 HA ALA A 62 9.191 -4.205 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.219 -5.105 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.615 -3.739 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.955 -5.406 0.856 1.00 0.00 H new ATOM 199 N GLY A 63 8.204 -6.473 0.241 1.00 0.00 N ATOM 200 CA GLY A 63 7.622 -7.806 0.099 1.00 0.00 C ATOM 201 C GLY A 63 7.020 -7.988 -1.289 1.00 0.00 C ATOM 202 O GLY A 63 7.579 -7.539 -2.290 1.00 0.00 O ATOM 0 H GLY A 63 7.642 -5.718 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.388 -8.562 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.852 -7.954 0.857 1.00 0.00 H new ATOM 206 N THR A 64 5.871 -8.656 -1.338 1.00 0.00 N ATOM 207 CA THR A 64 5.194 -8.896 -2.610 1.00 0.00 C ATOM 208 C THR A 64 3.697 -8.644 -2.472 1.00 0.00 C ATOM 209 O THR A 64 3.082 -9.003 -1.467 1.00 0.00 O ATOM 210 CB THR A 64 5.416 -10.339 -3.071 1.00 0.00 C ATOM 211 OG1 THR A 64 6.801 -10.647 -3.002 1.00 0.00 O ATOM 212 CG2 THR A 64 4.927 -10.498 -4.511 1.00 0.00 C ATOM 0 H THR A 64 5.393 -9.037 -0.522 1.00 0.00 H new ATOM 0 HA THR A 64 5.612 -8.211 -3.348 1.00 0.00 H new ATOM 0 HB THR A 64 4.859 -11.018 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.946 -11.571 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.086 -11.526 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.864 -10.261 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.482 -9.821 -5.161 1.00 0.00 H new ATOM 220 N VAL A 65 3.116 -8.024 -3.494 1.00 0.00 N ATOM 221 CA VAL A 65 1.686 -7.727 -3.479 1.00 0.00 C ATOM 222 C VAL A 65 0.884 -9.015 -3.636 1.00 0.00 C ATOM 223 O VAL A 65 1.099 -9.787 -4.571 1.00 0.00 O ATOM 224 CB VAL A 65 1.320 -6.767 -4.616 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.138 -6.329 -4.466 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.225 -5.531 -4.561 1.00 0.00 C ATOM 0 H VAL A 65 3.606 -7.720 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 65 1.447 -7.257 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 65 1.455 -7.275 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.398 -5.646 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.787 -7.204 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.270 -5.824 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.962 -4.851 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.092 -5.025 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.266 -5.837 -4.668 1.00 0.00 H new ATOM 236 N SER A 66 -0.040 -9.241 -2.708 1.00 0.00 N ATOM 237 CA SER A 66 -0.867 -10.442 -2.751 1.00 0.00 C ATOM 238 C SER A 66 -2.249 -10.124 -3.312 1.00 0.00 C ATOM 239 O SER A 66 -2.704 -10.747 -4.271 1.00 0.00 O ATOM 240 CB SER A 66 -1.023 -11.034 -1.350 1.00 0.00 C ATOM 241 OG SER A 66 -1.523 -12.362 -1.454 1.00 0.00 O ATOM 0 H SER A 66 -0.234 -8.616 -1.925 1.00 0.00 H new ATOM 0 HA SER A 66 -0.372 -11.165 -3.399 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.063 -11.034 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.704 -10.422 -0.758 1.00 0.00 H new ATOM 0 HG SER A 66 -1.623 -12.745 -0.558 1.00 0.00 H new ATOM 247 N LYS A 67 -2.912 -9.148 -2.701 1.00 0.00 N ATOM 248 CA LYS A 67 -4.247 -8.757 -3.147 1.00 0.00 C ATOM 249 C LYS A 67 -4.561 -7.329 -2.713 1.00 0.00 C ATOM 250 O LYS A 67 -4.229 -6.912 -1.603 1.00 0.00 O ATOM 251 CB LYS A 67 -5.301 -9.697 -2.558 1.00 0.00 C ATOM 252 CG LYS A 67 -6.655 -9.427 -3.217 1.00 0.00 C ATOM 253 CD LYS A 67 -6.866 -10.408 -4.373 1.00 0.00 C ATOM 254 CE LYS A 67 -7.843 -9.805 -5.383 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.255 -9.953 -4.928 1.00 0.00 N ATOM 0 H LYS A 67 -2.554 -8.618 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.268 -8.818 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.008 -10.735 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.374 -9.549 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.455 -9.534 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.694 -8.402 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.914 -10.626 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.255 -11.354 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.614 -8.749 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.717 -10.293 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.893 -9.534 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.479 -10.962 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.379 -9.466 -4.018 1.00 0.00 H new ATOM 269 N ILE A 68 -5.212 -6.585 -3.603 1.00 0.00 N ATOM 270 CA ILE A 68 -5.577 -5.202 -3.306 1.00 0.00 C ATOM 271 C ILE A 68 -7.000 -5.144 -2.759 1.00 0.00 C ATOM 272 O ILE A 68 -7.890 -5.855 -3.225 1.00 0.00 O ATOM 273 CB ILE A 68 -5.486 -4.339 -4.568 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.102 -4.505 -5.202 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.701 -2.869 -4.200 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.151 -4.050 -6.663 1.00 0.00 C ATOM 0 H ILE A 68 -5.496 -6.912 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.882 -4.817 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.253 -4.653 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.366 -3.919 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.787 -5.547 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.636 -2.256 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.685 -2.747 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.935 -2.556 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.166 -4.168 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.875 -4.655 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.447 -3.002 -6.708 1.00 0.00 H new ATOM 288 N LEU A 69 -7.203 -4.289 -1.761 1.00 0.00 N ATOM 289 CA LEU A 69 -8.523 -4.148 -1.152 1.00 0.00 C ATOM 290 C LEU A 69 -9.191 -2.855 -1.610 1.00 0.00 C ATOM 291 O LEU A 69 -10.400 -2.811 -1.834 1.00 0.00 O ATOM 292 CB LEU A 69 -8.410 -4.136 0.372 1.00 0.00 C ATOM 293 CG LEU A 69 -8.056 -5.479 1.015 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.428 -5.238 2.389 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.326 -6.317 1.176 1.00 0.00 C ATOM 0 H LEU A 69 -6.481 -3.690 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.128 -4.998 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.653 -3.405 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.358 -3.792 0.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.347 -6.010 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.176 -6.195 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.523 -4.640 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.136 -4.707 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.075 -7.274 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.035 -5.785 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.775 -6.490 0.198 1.00 0.00 H new ATOM 307 N VAL A 70 -8.390 -1.802 -1.744 1.00 0.00 N ATOM 308 CA VAL A 70 -8.917 -0.510 -2.175 1.00 0.00 C ATOM 309 C VAL A 70 -8.422 -0.163 -3.575 1.00 0.00 C ATOM 310 O VAL A 70 -7.315 -0.532 -3.969 1.00 0.00 O ATOM 311 CB VAL A 70 -8.497 0.594 -1.198 1.00 0.00 C ATOM 312 CG1 VAL A 70 -9.041 0.274 0.195 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.968 0.682 -1.135 1.00 0.00 C ATOM 0 H VAL A 70 -7.386 -1.816 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.005 -0.581 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.899 1.547 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.743 1.058 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.129 0.217 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.639 -0.682 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.677 1.469 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.562 -0.271 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.576 0.911 -2.126 1.00 0.00 H new ATOM 323 N LYS A 71 -9.255 0.553 -4.321 1.00 0.00 N ATOM 324 CA LYS A 71 -8.897 0.951 -5.678 1.00 0.00 C ATOM 325 C LYS A 71 -9.350 2.382 -5.944 1.00 0.00 C ATOM 326 O LYS A 71 -10.132 2.954 -5.183 1.00 0.00 O ATOM 327 CB LYS A 71 -9.548 0.019 -6.702 1.00 0.00 C ATOM 328 CG LYS A 71 -11.060 -0.021 -6.473 1.00 0.00 C ATOM 329 CD LYS A 71 -11.622 -1.338 -7.013 1.00 0.00 C ATOM 330 CE LYS A 71 -11.556 -1.334 -8.541 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.186 -2.555 -9.116 1.00 0.00 N ATOM 0 H LYS A 71 -10.175 0.868 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.813 0.887 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.332 0.366 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.130 -0.984 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.280 0.072 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.537 0.822 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.052 -2.178 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.653 -1.468 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.060 -0.447 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.516 -1.274 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.125 -2.521 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.689 -3.399 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.185 -2.598 -8.829 1.00 0.00 H new ATOM 345 N GLU A 72 -8.849 2.956 -7.035 1.00 0.00 N ATOM 346 CA GLU A 72 -9.206 4.327 -7.401 1.00 0.00 C ATOM 347 C GLU A 72 -10.717 4.463 -7.576 1.00 0.00 C ATOM 348 O GLU A 72 -11.294 3.954 -8.537 1.00 0.00 O ATOM 349 CB GLU A 72 -8.519 4.727 -8.708 1.00 0.00 C ATOM 350 CG GLU A 72 -7.025 4.941 -8.458 1.00 0.00 C ATOM 351 CD GLU A 72 -6.335 5.288 -9.772 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.296 6.460 -10.106 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.854 4.377 -10.426 1.00 0.00 O ATOM 0 H GLU A 72 -8.201 2.500 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.874 4.983 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.665 3.951 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.967 5.640 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.878 5.743 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.584 4.041 -8.030 1.00 0.00 H new ATOM 360 N GLY A 73 -11.349 5.156 -6.633 1.00 0.00 N ATOM 361 CA GLY A 73 -12.795 5.355 -6.688 1.00 0.00 C ATOM 362 C GLY A 73 -13.428 5.089 -5.326 1.00 0.00 C ATOM 363 O GLY A 73 -14.435 5.699 -4.966 1.00 0.00 O ATOM 0 H GLY A 73 -10.889 5.585 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.015 6.375 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.231 4.689 -7.433 1.00 0.00 H new ATOM 367 N ASP A 74 -12.826 4.172 -4.573 1.00 0.00 N ATOM 368 CA ASP A 74 -13.339 3.832 -3.250 1.00 0.00 C ATOM 369 C ASP A 74 -12.648 4.668 -2.179 1.00 0.00 C ATOM 370 O ASP A 74 -11.498 5.078 -2.337 1.00 0.00 O ATOM 371 CB ASP A 74 -13.107 2.350 -2.949 1.00 0.00 C ATOM 372 CG ASP A 74 -14.127 1.509 -3.709 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.285 1.896 -3.731 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.737 0.491 -4.256 1.00 0.00 O ATOM 0 H ASP A 74 -11.992 3.656 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.409 4.041 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.096 2.063 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.196 2.168 -1.878 1.00 0.00 H new ATOM 379 N THR A 75 -13.362 4.912 -1.084 1.00 0.00 N ATOM 380 CA THR A 75 -12.808 5.699 0.013 1.00 0.00 C ATOM 381 C THR A 75 -12.332 4.780 1.134 1.00 0.00 C ATOM 382 O THR A 75 -12.889 3.705 1.354 1.00 0.00 O ATOM 383 CB THR A 75 -13.861 6.660 0.569 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.705 7.096 -0.488 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.169 7.867 1.203 1.00 0.00 C ATOM 0 H THR A 75 -14.315 4.580 -0.933 1.00 0.00 H new ATOM 0 HA THR A 75 -11.965 6.272 -0.373 1.00 0.00 H new ATOM 0 HB THR A 75 -14.458 6.149 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.382 7.710 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.920 8.551 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.521 7.531 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.571 8.381 0.450 1.00 0.00 H new ATOM 393 N VAL A 76 -11.291 5.216 1.839 1.00 0.00 N ATOM 394 CA VAL A 76 -10.743 4.422 2.935 1.00 0.00 C ATOM 395 C VAL A 76 -10.707 5.238 4.222 1.00 0.00 C ATOM 396 O VAL A 76 -10.856 6.460 4.206 1.00 0.00 O ATOM 397 CB VAL A 76 -9.325 3.956 2.602 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.370 2.990 1.417 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.464 5.167 2.237 1.00 0.00 C ATOM 0 H VAL A 76 -10.815 6.103 1.674 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.388 3.554 3.074 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.896 3.451 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.359 2.658 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.984 2.127 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.798 3.496 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.453 4.836 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.894 5.671 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.431 5.857 3.080 1.00 0.00 H new ATOM 409 N LYS A 77 -10.505 4.545 5.339 1.00 0.00 N ATOM 410 CA LYS A 77 -10.447 5.210 6.638 1.00 0.00 C ATOM 411 C LYS A 77 -9.141 4.870 7.347 1.00 0.00 C ATOM 412 O LYS A 77 -8.538 3.825 7.102 1.00 0.00 O ATOM 413 CB LYS A 77 -11.621 4.774 7.517 1.00 0.00 C ATOM 414 CG LYS A 77 -12.034 5.930 8.429 1.00 0.00 C ATOM 415 CD LYS A 77 -12.772 6.990 7.609 1.00 0.00 C ATOM 416 CE LYS A 77 -14.279 6.740 7.688 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.049 8.009 7.548 1.00 0.00 N ATOM 0 H LYS A 77 -10.380 3.533 5.372 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.502 6.286 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.462 4.470 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.339 3.908 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.676 5.563 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.154 6.367 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.538 7.985 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.441 6.957 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.576 6.044 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.522 6.269 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.067 7.805 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.783 8.663 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.835 8.445 6.629 1.00 0.00 H new ATOM 431 N ALA A 78 -8.708 5.767 8.227 1.00 0.00 N ATOM 432 CA ALA A 78 -7.467 5.557 8.969 1.00 0.00 C ATOM 433 C ALA A 78 -7.564 4.301 9.830 1.00 0.00 C ATOM 434 O ALA A 78 -8.115 4.326 10.931 1.00 0.00 O ATOM 435 CB ALA A 78 -7.173 6.758 9.869 1.00 0.00 C ATOM 0 H ALA A 78 -9.192 6.639 8.443 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.660 5.438 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.245 6.585 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.073 7.655 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.991 6.891 10.577 1.00 0.00 H new ATOM 441 N GLY A 79 -7.020 3.201 9.316 1.00 0.00 N ATOM 442 CA GLY A 79 -7.047 1.935 10.046 1.00 0.00 C ATOM 443 C GLY A 79 -7.488 0.792 9.137 1.00 0.00 C ATOM 444 O GLY A 79 -6.995 -0.330 9.246 1.00 0.00 O ATOM 0 H GLY A 79 -6.560 3.159 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.057 1.722 10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.727 2.014 10.894 1.00 0.00 H new ATOM 448 N GLN A 80 -8.423 1.090 8.240 1.00 0.00 N ATOM 449 CA GLN A 80 -8.926 0.078 7.315 1.00 0.00 C ATOM 450 C GLN A 80 -7.808 -0.418 6.404 1.00 0.00 C ATOM 451 O GLN A 80 -6.978 0.360 5.933 1.00 0.00 O ATOM 452 CB GLN A 80 -10.053 0.652 6.453 1.00 0.00 C ATOM 453 CG GLN A 80 -10.758 -0.483 5.709 1.00 0.00 C ATOM 454 CD GLN A 80 -11.649 0.099 4.618 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.425 1.022 4.867 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.583 -0.389 3.409 1.00 0.00 N ATOM 0 H GLN A 80 -8.844 2.013 8.133 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.308 -0.754 7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.766 1.188 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.649 1.372 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.022 -1.157 5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.355 -1.072 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.940 -1.154 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.174 -0.006 2.671 1.00 0.00 H new ATOM 465 N THR A 81 -7.796 -1.726 6.162 1.00 0.00 N ATOM 466 CA THR A 81 -6.776 -2.324 5.305 1.00 0.00 C ATOM 467 C THR A 81 -6.951 -1.851 3.866 1.00 0.00 C ATOM 468 O THR A 81 -8.071 -1.691 3.380 1.00 0.00 O ATOM 469 CB THR A 81 -6.871 -3.851 5.343 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.028 -4.279 6.689 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.594 -4.458 4.759 1.00 0.00 C ATOM 0 H THR A 81 -8.474 -2.387 6.543 1.00 0.00 H new ATOM 0 HA THR A 81 -5.799 -2.014 5.676 1.00 0.00 H new ATOM 0 HB THR A 81 -7.728 -4.178 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.948 -5.255 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.662 -5.545 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.473 -4.128 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.735 -4.134 5.347 1.00 0.00 H new ATOM 479 N VAL A 82 -5.828 -1.618 3.193 1.00 0.00 N ATOM 480 CA VAL A 82 -5.864 -1.153 1.810 1.00 0.00 C ATOM 481 C VAL A 82 -5.300 -2.208 0.856 1.00 0.00 C ATOM 482 O VAL A 82 -5.661 -2.252 -0.320 1.00 0.00 O ATOM 483 CB VAL A 82 -5.062 0.148 1.666 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.664 1.212 2.589 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.589 -0.088 2.046 1.00 0.00 C ATOM 0 H VAL A 82 -4.891 -1.742 3.577 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.906 -0.970 1.548 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.107 0.484 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.099 2.139 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.703 1.389 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.619 0.866 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.032 0.843 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.530 -0.430 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.160 -0.845 1.389 1.00 0.00 H new ATOM 495 N LEU A 83 -4.406 -3.052 1.367 1.00 0.00 N ATOM 496 CA LEU A 83 -3.802 -4.090 0.537 1.00 0.00 C ATOM 497 C LEU A 83 -3.042 -5.094 1.400 1.00 0.00 C ATOM 498 O LEU A 83 -2.528 -4.757 2.467 1.00 0.00 O ATOM 499 CB LEU A 83 -2.842 -3.458 -0.473 1.00 0.00 C ATOM 500 CG LEU A 83 -2.028 -4.438 -1.327 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.797 -3.841 -2.719 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.677 -4.698 -0.654 1.00 0.00 C ATOM 0 H LEU A 83 -4.088 -3.039 2.336 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.598 -4.612 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.418 -2.816 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.148 -2.814 0.068 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.576 -5.375 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.218 -4.540 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.758 -3.655 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.250 -2.903 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.097 -5.394 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.132 -3.759 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.840 -5.126 0.335 1.00 0.00 H new ATOM 514 N VAL A 84 -2.969 -6.332 0.918 1.00 0.00 N ATOM 515 CA VAL A 84 -2.262 -7.384 1.645 1.00 0.00 C ATOM 516 C VAL A 84 -0.900 -7.636 1.003 1.00 0.00 C ATOM 517 O VAL A 84 -0.779 -7.706 -0.219 1.00 0.00 O ATOM 518 CB VAL A 84 -3.069 -8.685 1.632 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.408 -9.708 2.557 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.493 -8.406 2.120 1.00 0.00 C ATOM 0 H VAL A 84 -3.386 -6.630 0.036 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.130 -7.056 2.676 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.101 -9.081 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.984 -10.633 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.393 -9.908 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.375 -9.313 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.069 -9.332 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.459 -8.010 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.967 -7.678 1.462 1.00 0.00 H new ATOM 530 N LEU A 85 0.124 -7.767 1.842 1.00 0.00 N ATOM 531 CA LEU A 85 1.476 -8.004 1.342 1.00 0.00 C ATOM 532 C LEU A 85 1.977 -9.377 1.780 1.00 0.00 C ATOM 533 O LEU A 85 1.427 -9.994 2.693 1.00 0.00 O ATOM 534 CB LEU A 85 2.434 -6.932 1.862 1.00 0.00 C ATOM 535 CG LEU A 85 2.479 -5.639 1.045 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.249 -4.569 1.821 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.182 -5.905 -0.289 1.00 0.00 C ATOM 0 H LEU A 85 0.047 -7.714 2.858 1.00 0.00 H new ATOM 0 HA LEU A 85 1.443 -7.963 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.154 -6.685 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.438 -7.354 1.899 1.00 0.00 H new ATOM 0 HG LEU A 85 1.463 -5.291 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.280 -3.649 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.751 -4.380 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.266 -4.915 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.215 -4.985 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.198 -6.253 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.634 -6.667 -0.843 1.00 0.00 H new ATOM 549 N GLU A 86 3.029 -9.847 1.116 1.00 0.00 N ATOM 550 CA GLU A 86 3.605 -11.149 1.439 1.00 0.00 C ATOM 551 C GLU A 86 5.127 -11.057 1.484 1.00 0.00 C ATOM 552 O GLU A 86 5.787 -10.949 0.451 1.00 0.00 O ATOM 553 CB GLU A 86 3.198 -12.189 0.394 1.00 0.00 C ATOM 554 CG GLU A 86 1.894 -12.862 0.823 1.00 0.00 C ATOM 555 CD GLU A 86 2.209 -14.138 1.597 1.00 0.00 C ATOM 556 OE1 GLU A 86 3.006 -14.067 2.518 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.651 -15.167 1.257 1.00 0.00 O ATOM 0 H GLU A 86 3.497 -9.351 0.357 1.00 0.00 H new ATOM 0 HA GLU A 86 3.229 -11.453 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.071 -11.712 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.985 -12.935 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.309 -12.183 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.288 -13.096 -0.052 1.00 0.00 H new ATOM 630 N GLU A 91 2.055 -13.070 5.812 1.00 0.00 N ATOM 631 CA GLU A 91 1.124 -12.121 5.208 1.00 0.00 C ATOM 632 C GLU A 91 0.978 -10.886 6.090 1.00 0.00 C ATOM 633 O GLU A 91 0.645 -10.983 7.271 1.00 0.00 O ATOM 634 CB GLU A 91 -0.252 -12.764 5.023 1.00 0.00 C ATOM 635 CG GLU A 91 -0.296 -13.501 3.684 1.00 0.00 C ATOM 636 CD GLU A 91 -1.448 -14.500 3.690 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.582 -14.067 3.565 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.180 -15.683 3.820 1.00 0.00 O ATOM 0 HA GLU A 91 1.523 -11.831 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.453 -13.458 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.029 -12.000 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.423 -12.789 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.647 -14.019 3.511 1.00 0.00 H new ATOM 645 N THR A 92 1.234 -9.721 5.503 1.00 0.00 N ATOM 646 CA THR A 92 1.130 -8.466 6.243 1.00 0.00 C ATOM 647 C THR A 92 0.112 -7.542 5.583 1.00 0.00 C ATOM 648 O THR A 92 0.199 -7.248 4.390 1.00 0.00 O ATOM 649 CB THR A 92 2.487 -7.760 6.293 1.00 0.00 C ATOM 650 OG1 THR A 92 3.483 -8.682 6.712 1.00 0.00 O ATOM 651 CG2 THR A 92 2.422 -6.593 7.278 1.00 0.00 C ATOM 0 H THR A 92 1.512 -9.619 4.527 1.00 0.00 H new ATOM 0 HA THR A 92 0.805 -8.699 7.257 1.00 0.00 H new ATOM 0 HB THR A 92 2.736 -7.381 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.353 -8.232 6.743 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.389 -6.092 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.658 -5.886 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.172 -6.968 8.271 1.00 0.00 H new ATOM 659 N GLU A 93 -0.856 -7.087 6.373 1.00 0.00 N ATOM 660 CA GLU A 93 -1.890 -6.196 5.858 1.00 0.00 C ATOM 661 C GLU A 93 -1.435 -4.743 5.947 1.00 0.00 C ATOM 662 O GLU A 93 -0.767 -4.344 6.900 1.00 0.00 O ATOM 663 CB GLU A 93 -3.187 -6.361 6.653 1.00 0.00 C ATOM 664 CG GLU A 93 -3.899 -7.641 6.208 1.00 0.00 C ATOM 665 CD GLU A 93 -5.323 -7.647 6.754 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.933 -6.592 6.774 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.782 -8.709 7.143 1.00 0.00 O ATOM 0 H GLU A 93 -0.946 -7.318 7.362 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.069 -6.458 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.969 -6.406 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.835 -5.498 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.915 -7.701 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.357 -8.515 6.568 1.00 0.00 H new ATOM 674 N ILE A 94 -1.806 -3.958 4.941 1.00 0.00 N ATOM 675 CA ILE A 94 -1.433 -2.546 4.911 1.00 0.00 C ATOM 676 C ILE A 94 -2.637 -1.672 5.242 1.00 0.00 C ATOM 677 O ILE A 94 -3.593 -1.593 4.475 1.00 0.00 O ATOM 678 CB ILE A 94 -0.900 -2.162 3.525 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.206 -3.142 3.100 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.338 -0.737 3.567 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.367 -3.111 4.104 1.00 0.00 C ATOM 0 H ILE A 94 -2.359 -4.270 4.143 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.653 -2.386 5.655 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.715 -2.209 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.200 -4.152 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.570 -2.880 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.040 -0.466 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.127 -0.043 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.473 -0.687 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.141 -3.811 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.784 -2.105 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.002 -3.396 5.091 1.00 0.00 H new ATOM 693 N ASN A 95 -2.581 -1.017 6.398 1.00 0.00 N ATOM 694 CA ASN A 95 -3.674 -0.150 6.825 1.00 0.00 C ATOM 695 C ASN A 95 -3.352 1.306 6.507 1.00 0.00 C ATOM 696 O ASN A 95 -2.214 1.752 6.658 1.00 0.00 O ATOM 697 CB ASN A 95 -3.916 -0.290 8.329 1.00 0.00 C ATOM 698 CG ASN A 95 -4.317 -1.725 8.649 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.363 -2.199 8.202 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.543 -2.454 9.405 1.00 0.00 N ATOM 0 H ASN A 95 -1.798 -1.069 7.050 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.572 -0.451 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.014 -0.022 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.700 0.397 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.804 -3.415 9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.677 -2.063 9.776 1.00 0.00 H new ATOM 707 N ALA A 96 -4.366 2.042 6.064 1.00 0.00 N ATOM 708 CA ALA A 96 -4.181 3.449 5.725 1.00 0.00 C ATOM 709 C ALA A 96 -3.757 4.244 6.964 1.00 0.00 C ATOM 710 O ALA A 96 -4.232 3.982 8.068 1.00 0.00 O ATOM 711 CB ALA A 96 -5.479 4.042 5.174 1.00 0.00 C ATOM 0 H ALA A 96 -5.315 1.693 5.932 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.402 3.513 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.323 5.092 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.776 3.498 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.264 3.959 5.925 1.00 0.00 H new ATOM 717 N PRO A 97 -2.857 5.226 6.799 1.00 0.00 N ATOM 718 CA PRO A 97 -2.383 6.050 7.921 1.00 0.00 C ATOM 719 C PRO A 97 -3.437 7.047 8.395 1.00 0.00 C ATOM 720 O PRO A 97 -3.547 7.340 9.585 1.00 0.00 O ATOM 721 CB PRO A 97 -1.173 6.786 7.354 1.00 0.00 C ATOM 722 CG PRO A 97 -1.400 6.833 5.881 1.00 0.00 C ATOM 723 CD PRO A 97 -2.222 5.627 5.528 1.00 0.00 C ATOM 0 HA PRO A 97 -2.150 5.440 8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.091 7.789 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.247 6.264 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.918 7.750 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.452 6.825 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.968 5.864 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.600 4.827 5.125 1.00 0.00 H new ATOM 731 N THR A 98 -4.211 7.563 7.445 1.00 0.00 N ATOM 732 CA THR A 98 -5.257 8.529 7.769 1.00 0.00 C ATOM 733 C THR A 98 -6.445 8.360 6.827 1.00 0.00 C ATOM 734 O THR A 98 -6.329 7.752 5.763 1.00 0.00 O ATOM 735 CB THR A 98 -4.723 9.958 7.647 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.712 10.001 6.649 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.137 10.402 8.989 1.00 0.00 C ATOM 0 H THR A 98 -4.136 7.332 6.454 1.00 0.00 H new ATOM 0 HA THR A 98 -5.577 8.349 8.795 1.00 0.00 H new ATOM 0 HB THR A 98 -5.537 10.628 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.370 10.916 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.757 11.420 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.913 10.369 9.754 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.323 9.734 9.269 1.00 0.00 H new ATOM 745 N ASP A 99 -7.587 8.909 7.230 1.00 0.00 N ATOM 746 CA ASP A 99 -8.794 8.816 6.413 1.00 0.00 C ATOM 747 C ASP A 99 -8.623 9.606 5.121 1.00 0.00 C ATOM 748 O ASP A 99 -8.000 10.668 5.103 1.00 0.00 O ATOM 749 CB ASP A 99 -10.003 9.363 7.174 1.00 0.00 C ATOM 750 CG ASP A 99 -9.696 10.770 7.676 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.609 11.665 6.850 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.551 10.933 8.875 1.00 0.00 O ATOM 0 H ASP A 99 -7.703 9.417 8.107 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.960 7.764 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.878 9.381 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.243 8.710 8.013 1.00 0.00 H new ATOM 757 N GLY A 100 -9.182 9.075 4.037 1.00 0.00 N ATOM 758 CA GLY A 100 -9.087 9.739 2.740 1.00 0.00 C ATOM 759 C GLY A 100 -9.663 8.859 1.636 1.00 0.00 C ATOM 760 O GLY A 100 -10.429 7.932 1.896 1.00 0.00 O ATOM 0 H GLY A 100 -9.700 8.196 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.623 10.687 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.045 9.970 2.520 1.00 0.00 H new ATOM 764 N LYS A 101 -9.286 9.164 0.397 1.00 0.00 N ATOM 765 CA LYS A 101 -9.770 8.398 -0.748 1.00 0.00 C ATOM 766 C LYS A 101 -8.607 7.980 -1.642 1.00 0.00 C ATOM 767 O LYS A 101 -7.612 8.695 -1.765 1.00 0.00 O ATOM 768 CB LYS A 101 -10.757 9.230 -1.569 1.00 0.00 C ATOM 769 CG LYS A 101 -11.426 8.342 -2.621 1.00 0.00 C ATOM 770 CD LYS A 101 -12.372 9.187 -3.475 1.00 0.00 C ATOM 771 CE LYS A 101 -13.320 8.269 -4.248 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.518 7.914 -3.433 1.00 0.00 N ATOM 0 H LYS A 101 -8.653 9.928 0.161 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.273 7.508 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.511 9.668 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.237 10.056 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.670 7.874 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.978 7.537 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.943 9.866 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.800 9.804 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.636 8.761 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.793 7.360 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.939 7.036 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.235 7.775 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.216 8.683 -3.489 1.00 0.00 H new ATOM 786 N VAL A 102 -8.744 6.813 -2.264 1.00 0.00 N ATOM 787 CA VAL A 102 -7.700 6.303 -3.150 1.00 0.00 C ATOM 788 C VAL A 102 -7.724 7.049 -4.480 1.00 0.00 C ATOM 789 O VAL A 102 -8.639 6.880 -5.286 1.00 0.00 O ATOM 790 CB VAL A 102 -7.904 4.807 -3.411 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.693 4.253 -4.165 1.00 0.00 C ATOM 792 CG2 VAL A 102 -8.066 4.061 -2.076 1.00 0.00 C ATOM 0 H VAL A 102 -9.559 6.207 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.737 6.457 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.803 4.665 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.836 3.189 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.585 4.777 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.794 4.399 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.211 2.998 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.171 4.202 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.931 4.454 -1.542 1.00 0.00 H new ATOM 802 N GLU A 103 -6.708 7.879 -4.699 1.00 0.00 N ATOM 803 CA GLU A 103 -6.623 8.651 -5.937 1.00 0.00 C ATOM 804 C GLU A 103 -5.775 7.919 -6.974 1.00 0.00 C ATOM 805 O GLU A 103 -5.989 8.058 -8.179 1.00 0.00 O ATOM 806 CB GLU A 103 -6.010 10.029 -5.673 1.00 0.00 C ATOM 807 CG GLU A 103 -4.675 9.870 -4.943 1.00 0.00 C ATOM 808 CD GLU A 103 -3.904 11.183 -5.001 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.734 11.701 -6.092 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.493 11.653 -3.952 1.00 0.00 O ATOM 0 H GLU A 103 -5.941 8.034 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.636 8.773 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.860 10.557 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.693 10.632 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.848 9.583 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.091 9.072 -5.401 1.00 0.00 H new ATOM 817 N LYS A 104 -4.808 7.139 -6.497 1.00 0.00 N ATOM 818 CA LYS A 104 -3.934 6.392 -7.400 1.00 0.00 C ATOM 819 C LYS A 104 -3.315 5.198 -6.683 1.00 0.00 C ATOM 820 O LYS A 104 -2.727 5.334 -5.610 1.00 0.00 O ATOM 821 CB LYS A 104 -2.816 7.295 -7.925 1.00 0.00 C ATOM 822 CG LYS A 104 -2.446 6.877 -9.350 1.00 0.00 C ATOM 823 CD LYS A 104 -1.748 8.039 -10.060 1.00 0.00 C ATOM 824 CE LYS A 104 -1.670 7.749 -11.559 1.00 0.00 C ATOM 825 NZ LYS A 104 -1.185 8.936 -12.319 1.00 0.00 N ATOM 0 H LYS A 104 -4.611 7.008 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.538 6.036 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.139 8.336 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.943 7.225 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.791 6.006 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.342 6.587 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.294 8.966 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.746 8.178 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.002 6.906 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.654 7.457 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.144 8.706 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.837 9.733 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.236 9.198 -11.984 1.00 0.00 H new ATOM 839 N VAL A 105 -3.450 4.021 -7.292 1.00 0.00 N ATOM 840 CA VAL A 105 -2.897 2.803 -6.707 1.00 0.00 C ATOM 841 C VAL A 105 -1.606 2.414 -7.421 1.00 0.00 C ATOM 842 O VAL A 105 -1.628 1.862 -8.521 1.00 0.00 O ATOM 843 CB VAL A 105 -3.898 1.647 -6.822 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.365 0.423 -6.066 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.238 2.074 -6.219 1.00 0.00 C ATOM 0 H VAL A 105 -3.932 3.886 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.690 2.998 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.034 1.390 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.079 -0.396 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.411 0.118 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.226 0.677 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.951 1.254 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.099 2.332 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.620 2.941 -6.758 1.00 0.00 H new ATOM 855 N LEU A 106 -0.479 2.704 -6.779 1.00 0.00 N ATOM 856 CA LEU A 106 0.821 2.375 -7.358 1.00 0.00 C ATOM 857 C LEU A 106 1.099 0.882 -7.215 1.00 0.00 C ATOM 858 O LEU A 106 1.757 0.274 -8.059 1.00 0.00 O ATOM 859 CB LEU A 106 1.933 3.158 -6.661 1.00 0.00 C ATOM 860 CG LEU A 106 1.782 4.680 -6.689 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.550 5.292 -5.516 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.345 5.222 -8.004 1.00 0.00 C ATOM 0 H LEU A 106 -0.437 3.161 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 106 0.799 2.644 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.985 2.834 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.884 2.896 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 106 0.727 4.942 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.442 6.376 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.151 4.905 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.605 5.031 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.238 6.307 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.400 4.959 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.799 4.787 -8.841 1.00 0.00 H new ATOM 874 N VAL A 107 0.590 0.299 -6.133 1.00 0.00 N ATOM 875 CA VAL A 107 0.787 -1.126 -5.882 1.00 0.00 C ATOM 876 C VAL A 107 -0.152 -1.959 -6.748 1.00 0.00 C ATOM 877 O VAL A 107 -1.307 -1.595 -6.970 1.00 0.00 O ATOM 878 CB VAL A 107 0.533 -1.454 -4.408 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.546 -0.709 -3.539 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.884 -1.024 -4.016 1.00 0.00 C ATOM 0 H VAL A 107 0.043 0.785 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 107 1.820 -1.369 -6.133 1.00 0.00 H new ATOM 0 HB VAL A 107 0.638 -2.528 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.366 -0.942 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.555 -1.018 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.440 0.364 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.059 -1.260 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.994 0.049 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.609 -1.555 -4.633 1.00 0.00 H new ATOM 890 N LYS A 108 0.358 -3.086 -7.231 1.00 0.00 N ATOM 891 CA LYS A 108 -0.438 -3.977 -8.068 1.00 0.00 C ATOM 892 C LYS A 108 -0.156 -5.429 -7.699 1.00 0.00 C ATOM 893 O LYS A 108 0.883 -5.744 -7.119 1.00 0.00 O ATOM 894 CB LYS A 108 -0.109 -3.763 -9.548 1.00 0.00 C ATOM 895 CG LYS A 108 -1.063 -2.723 -10.138 1.00 0.00 C ATOM 896 CD LYS A 108 -2.422 -3.372 -10.404 1.00 0.00 C ATOM 897 CE LYS A 108 -2.401 -4.062 -11.769 1.00 0.00 C ATOM 898 NZ LYS A 108 -3.772 -4.447 -12.206 1.00 0.00 N ATOM 0 H LYS A 108 1.312 -3.403 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.491 -3.752 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.923 -3.429 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.199 -4.704 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.176 -1.886 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.652 -2.321 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.650 -4.097 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.208 -2.617 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.956 -3.396 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.771 -4.950 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.722 -4.912 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.186 -5.102 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.366 -3.596 -12.276 1.00 0.00 H new ATOM 912 N GLU A 109 -1.092 -6.313 -8.038 1.00 0.00 N ATOM 913 CA GLU A 109 -0.935 -7.736 -7.732 1.00 0.00 C ATOM 914 C GLU A 109 0.366 -8.281 -8.318 1.00 0.00 C ATOM 915 O GLU A 109 0.960 -7.671 -9.205 1.00 0.00 O ATOM 916 CB GLU A 109 -2.109 -8.536 -8.297 1.00 0.00 C ATOM 917 CG GLU A 109 -3.379 -8.204 -7.511 1.00 0.00 C ATOM 918 CD GLU A 109 -4.599 -8.404 -8.404 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.868 -9.540 -8.760 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.246 -7.419 -8.720 1.00 0.00 O ATOM 0 H GLU A 109 -1.959 -6.074 -8.520 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.909 -7.840 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.249 -8.300 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.899 -9.604 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.451 -8.842 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.340 -7.174 -7.156 1.00 0.00 H new ATOM 927 N ARG A 110 0.795 -9.437 -7.791 1.00 0.00 N ATOM 928 CA ARG A 110 2.034 -10.113 -8.225 1.00 0.00 C ATOM 929 C ARG A 110 3.160 -9.121 -8.555 1.00 0.00 C ATOM 930 O ARG A 110 3.890 -9.289 -9.532 1.00 0.00 O ATOM 931 CB ARG A 110 1.757 -11.052 -9.421 1.00 0.00 C ATOM 932 CG ARG A 110 1.634 -10.274 -10.746 1.00 0.00 C ATOM 933 CD ARG A 110 2.788 -10.657 -11.674 1.00 0.00 C ATOM 934 NE ARG A 110 3.175 -9.523 -12.511 1.00 0.00 N ATOM 935 CZ ARG A 110 3.527 -9.699 -13.781 1.00 0.00 C ATOM 936 NH1 ARG A 110 4.390 -10.625 -14.098 1.00 0.00 N ATOM 937 NH2 ARG A 110 3.010 -8.944 -14.712 1.00 0.00 N ATOM 0 H ARG A 110 0.296 -9.932 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 110 2.380 -10.714 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.561 -11.783 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.838 -11.609 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.680 -10.498 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.650 -9.201 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.642 -10.988 -11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.492 -11.496 -12.304 1.00 0.00 H new ATOM 0 HE ARG A 110 3.175 -8.583 -12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.795 -11.215 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.659 -10.759 -15.073 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.336 -8.219 -14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.280 -9.079 -15.686 1.00 0.00 H new ATOM 951 N ASP A 111 3.284 -8.092 -7.723 1.00 0.00 N ATOM 952 CA ASP A 111 4.317 -7.079 -7.924 1.00 0.00 C ATOM 953 C ASP A 111 5.107 -6.867 -6.636 1.00 0.00 C ATOM 954 O ASP A 111 4.550 -6.895 -5.539 1.00 0.00 O ATOM 955 CB ASP A 111 3.689 -5.750 -8.350 1.00 0.00 C ATOM 956 CG ASP A 111 4.714 -4.927 -9.122 1.00 0.00 C ATOM 957 OD1 ASP A 111 4.932 -5.228 -10.285 1.00 0.00 O ATOM 958 OD2 ASP A 111 5.267 -4.008 -8.542 1.00 0.00 O ATOM 0 H ASP A 111 2.688 -7.937 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 111 4.987 -7.429 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.812 -5.933 -8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.350 -5.198 -7.473 1.00 0.00 H new ATOM 963 N ALA A 112 6.412 -6.659 -6.782 1.00 0.00 N ATOM 964 CA ALA A 112 7.273 -6.448 -5.621 1.00 0.00 C ATOM 965 C ALA A 112 7.426 -4.958 -5.329 1.00 0.00 C ATOM 966 O ALA A 112 7.610 -4.147 -6.237 1.00 0.00 O ATOM 967 CB ALA A 112 8.658 -7.051 -5.866 1.00 0.00 C ATOM 0 H ALA A 112 6.893 -6.632 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 112 6.807 -6.938 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.287 -6.885 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.562 -8.122 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.113 -6.576 -6.735 1.00 0.00 H new ATOM 973 N VAL A 113 7.349 -4.610 -4.048 1.00 0.00 N ATOM 974 CA VAL A 113 7.484 -3.215 -3.634 1.00 0.00 C ATOM 975 C VAL A 113 8.686 -3.051 -2.710 1.00 0.00 C ATOM 976 O VAL A 113 9.181 -4.020 -2.136 1.00 0.00 O ATOM 977 CB VAL A 113 6.225 -2.749 -2.903 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.045 -2.726 -3.876 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.918 -3.712 -1.754 1.00 0.00 C ATOM 0 H VAL A 113 7.195 -5.268 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 113 7.627 -2.609 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 113 6.387 -1.747 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.148 -2.394 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.262 -2.041 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.882 -3.727 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.020 -3.381 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.757 -4.714 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.757 -3.728 -1.059 1.00 0.00 H new ATOM 989 N GLN A 114 9.150 -1.812 -2.573 1.00 0.00 N ATOM 990 CA GLN A 114 10.298 -1.530 -1.714 1.00 0.00 C ATOM 991 C GLN A 114 9.837 -0.935 -0.387 1.00 0.00 C ATOM 992 O GLN A 114 8.883 -0.157 -0.337 1.00 0.00 O ATOM 993 CB GLN A 114 11.250 -0.548 -2.399 1.00 0.00 C ATOM 994 CG GLN A 114 12.126 -1.300 -3.403 1.00 0.00 C ATOM 995 CD GLN A 114 12.961 -0.302 -4.199 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.189 -0.390 -4.221 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.363 0.650 -4.860 1.00 0.00 N ATOM 0 H GLN A 114 8.755 -0.995 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 114 10.819 -2.469 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.682 0.230 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.874 -0.052 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.778 -2.000 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.503 -1.888 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.346 0.722 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 114 12.913 1.322 -5.395 1.00 0.00 H new ATOM 1006 N GLY A 115 10.526 -1.309 0.687 1.00 0.00 N ATOM 1007 CA GLY A 115 10.182 -0.807 2.015 1.00 0.00 C ATOM 1008 C GLY A 115 10.320 0.711 2.070 1.00 0.00 C ATOM 1009 O GLY A 115 11.427 1.249 2.051 1.00 0.00 O ATOM 0 H GLY A 115 11.318 -1.951 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.160 -1.093 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.832 -1.264 2.761 1.00 0.00 H new ATOM 1013 N GLY A 116 9.182 1.394 2.136 1.00 0.00 N ATOM 1014 CA GLY A 116 9.183 2.854 2.189 1.00 0.00 C ATOM 1015 C GLY A 116 8.576 3.450 0.920 1.00 0.00 C ATOM 1016 O GLY A 116 8.049 4.562 0.934 1.00 0.00 O ATOM 0 H GLY A 116 8.256 0.967 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.618 3.190 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.204 3.216 2.313 1.00 0.00 H new ATOM 1020 N GLN A 117 8.657 2.699 -0.179 1.00 0.00 N ATOM 1021 CA GLN A 117 8.113 3.162 -1.454 1.00 0.00 C ATOM 1022 C GLN A 117 6.621 3.457 -1.331 1.00 0.00 C ATOM 1023 O GLN A 117 5.895 2.777 -0.604 1.00 0.00 O ATOM 1024 CB GLN A 117 8.321 2.101 -2.537 1.00 0.00 C ATOM 1025 CG GLN A 117 8.109 2.728 -3.916 1.00 0.00 C ATOM 1026 CD GLN A 117 7.644 1.655 -4.896 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.211 0.565 -4.947 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.634 1.903 -5.684 1.00 0.00 N ATOM 0 H GLN A 117 9.090 1.776 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 117 8.639 4.076 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.326 1.686 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.624 1.276 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.368 3.525 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.036 3.180 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.164 2.807 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.315 1.193 -6.343 1.00 0.00 H new ATOM 1037 N GLY A 118 6.172 4.482 -2.051 1.00 0.00 N ATOM 1038 CA GLY A 118 4.763 4.866 -2.019 1.00 0.00 C ATOM 1039 C GLY A 118 3.880 3.725 -2.513 1.00 0.00 C ATOM 1040 O GLY A 118 4.017 3.260 -3.645 1.00 0.00 O ATOM 0 H GLY A 118 6.756 5.057 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.479 5.138 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.607 5.748 -2.641 1.00 0.00 H new ATOM 1044 N LEU A 119 2.972 3.279 -1.650 1.00 0.00 N ATOM 1045 CA LEU A 119 2.069 2.190 -2.006 1.00 0.00 C ATOM 1046 C LEU A 119 0.817 2.736 -2.684 1.00 0.00 C ATOM 1047 O LEU A 119 0.512 2.394 -3.827 1.00 0.00 O ATOM 1048 CB LEU A 119 1.659 1.404 -0.761 1.00 0.00 C ATOM 1049 CG LEU A 119 2.799 0.694 -0.027 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.284 0.134 1.299 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.325 -0.453 -0.894 1.00 0.00 C ATOM 0 H LEU A 119 2.843 3.650 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 119 2.596 1.529 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.172 2.087 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.917 0.660 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 119 3.603 1.404 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.097 -0.371 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.908 0.949 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.480 -0.576 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.137 -0.960 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.520 -1.162 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.693 -0.055 -1.840 1.00 0.00 H new ATOM 1063 N ILE A 120 0.094 3.589 -1.965 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.128 4.181 -2.504 1.00 0.00 C ATOM 1065 C ILE A 120 -1.238 5.645 -2.087 1.00 0.00 C ATOM 1066 O ILE A 120 -0.834 6.024 -0.987 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.360 3.424 -1.996 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.194 1.929 -2.281 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.612 3.940 -2.710 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.335 1.153 -1.620 1.00 0.00 C ATOM 0 H ILE A 120 0.329 3.884 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.084 4.114 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.463 3.583 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.194 1.751 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.234 1.580 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.486 3.400 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.733 5.004 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.509 3.784 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.217 0.089 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.314 1.322 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.289 1.495 -2.022 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.792 6.461 -2.979 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.957 7.884 -2.695 1.00 0.00 C ATOM 1084 C LYS A 121 -3.320 8.139 -2.063 1.00 0.00 C ATOM 1085 O LYS A 121 -4.358 7.823 -2.645 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.842 8.707 -3.980 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.370 8.847 -4.372 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.266 9.570 -5.717 1.00 0.00 C ATOM 1089 CE LYS A 121 1.193 9.582 -6.178 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.432 10.648 -7.194 1.00 0.00 N ATOM 0 H LYS A 121 -2.131 6.166 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.169 8.184 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.398 8.224 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.285 9.692 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.170 9.403 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.095 7.863 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.889 9.071 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.637 10.590 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.846 9.741 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.451 8.611 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.430 10.631 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.825 10.481 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.208 11.576 -6.782 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.307 8.709 -0.863 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.553 9.001 -0.159 1.00 0.00 C ATOM 1106 C ILE A 122 -4.866 10.491 -0.226 1.00 0.00 C ATOM 1107 O ILE A 122 -3.974 11.335 -0.134 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.457 8.573 1.308 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.982 7.114 1.395 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.828 8.712 1.979 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.971 6.185 0.679 1.00 0.00 C ATOM 0 H ILE A 122 -2.460 8.976 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.352 8.441 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.740 9.214 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.994 7.019 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.886 6.818 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.755 8.406 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.155 9.751 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.551 8.078 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.620 5.156 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.952 6.267 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.045 6.472 -0.370 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.147 10.803 -0.386 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.578 12.196 -0.465 1.00 0.00 C ATOM 1125 C GLY A 123 -6.010 12.868 -1.711 1.00 0.00 C ATOM 1126 O GLY A 123 -6.700 12.884 -2.717 1.00 0.00 O ATOM 1127 OXT GLY A 123 -4.895 13.355 -1.640 1.00 0.00 O ATOM 0 H GLY A 123 -6.900 10.119 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.667 12.244 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.251 12.734 0.425 1.00 0.00 H new