USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 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= -0.0505 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 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) 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+ 176:sc= -2.69! (180deg=-2.71!) USER MOD Single : A 108 LYS NZ :NH3+ 154:sc= -0.0941 (180deg=-0.659) USER MOD Single : A 114 GLN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -110:sc= 0.321 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.344 9.471 -0.591 1.00 0.00 N ATOM 99 CA GLU A 56 1.596 8.062 -0.883 1.00 0.00 C ATOM 100 C GLU A 56 1.889 7.295 0.402 1.00 0.00 C ATOM 101 O GLU A 56 2.724 7.703 1.210 1.00 0.00 O ATOM 102 CB GLU A 56 2.786 7.913 -1.834 1.00 0.00 C ATOM 103 CG GLU A 56 2.577 8.799 -3.064 1.00 0.00 C ATOM 104 CD GLU A 56 3.860 8.842 -3.885 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.420 7.786 -4.128 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.265 9.931 -4.258 1.00 0.00 O ATOM 0 HA GLU A 56 0.702 7.654 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.708 8.193 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.893 6.872 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.758 8.411 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.296 9.806 -2.756 1.00 0.00 H new ATOM 113 N ILE A 57 1.193 6.175 0.580 1.00 0.00 N ATOM 114 CA ILE A 57 1.384 5.350 1.769 1.00 0.00 C ATOM 115 C ILE A 57 2.652 4.498 1.625 1.00 0.00 C ATOM 116 O ILE A 57 2.698 3.589 0.794 1.00 0.00 O ATOM 117 CB ILE A 57 0.183 4.422 1.974 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.108 5.246 1.969 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.317 3.699 3.316 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.309 4.312 1.814 1.00 0.00 C ATOM 0 H ILE A 57 0.498 5.821 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 57 1.482 6.012 2.629 1.00 0.00 H new ATOM 0 HB ILE A 57 0.152 3.690 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.193 5.814 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.088 5.968 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.538 3.039 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.235 3.111 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.350 4.432 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.228 4.898 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.225 3.764 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.332 3.607 2.645 1.00 0.00 H new ATOM 132 N PRO A 58 3.697 4.772 2.422 1.00 0.00 N ATOM 133 CA PRO A 58 4.954 4.008 2.354 1.00 0.00 C ATOM 134 C PRO A 58 4.803 2.591 2.901 1.00 0.00 C ATOM 135 O PRO A 58 4.160 2.371 3.928 1.00 0.00 O ATOM 136 CB PRO A 58 5.923 4.813 3.218 1.00 0.00 C ATOM 137 CG PRO A 58 5.058 5.568 4.166 1.00 0.00 C ATOM 138 CD PRO A 58 3.764 5.828 3.450 1.00 0.00 C ATOM 0 HA PRO A 58 5.291 3.883 1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.614 4.159 3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.526 5.488 2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.888 4.994 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.532 6.504 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.915 5.774 4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.750 6.821 3.001 1.00 0.00 H new ATOM 146 N ALA A 59 5.402 1.632 2.200 1.00 0.00 N ATOM 147 CA ALA A 59 5.330 0.236 2.620 1.00 0.00 C ATOM 148 C ALA A 59 6.124 0.024 3.911 1.00 0.00 C ATOM 149 O ALA A 59 7.119 0.708 4.155 1.00 0.00 O ATOM 150 CB ALA A 59 5.896 -0.680 1.532 1.00 0.00 C ATOM 0 H ALA A 59 5.937 1.793 1.347 1.00 0.00 H new ATOM 0 HA ALA A 59 4.282 -0.009 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.835 -1.717 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.319 -0.556 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.938 -0.420 1.343 1.00 0.00 H new ATOM 156 N PRO A 60 5.696 -0.926 4.754 1.00 0.00 N ATOM 157 CA PRO A 60 6.381 -1.216 6.023 1.00 0.00 C ATOM 158 C PRO A 60 7.713 -1.933 5.815 1.00 0.00 C ATOM 159 O PRO A 60 8.630 -1.818 6.629 1.00 0.00 O ATOM 160 CB PRO A 60 5.402 -2.118 6.771 1.00 0.00 C ATOM 161 CG PRO A 60 4.578 -2.762 5.711 1.00 0.00 C ATOM 162 CD PRO A 60 4.521 -1.798 4.560 1.00 0.00 C ATOM 0 HA PRO A 60 6.629 -0.302 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.929 -2.863 7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.781 -1.542 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.019 -3.709 5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.577 -2.983 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.566 -2.318 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.594 -1.224 4.568 1.00 0.00 H new ATOM 170 N LEU A 61 7.809 -2.674 4.714 1.00 0.00 N ATOM 171 CA LEU A 61 9.034 -3.407 4.407 1.00 0.00 C ATOM 172 C LEU A 61 9.034 -3.858 2.950 1.00 0.00 C ATOM 173 O LEU A 61 8.001 -3.845 2.280 1.00 0.00 O ATOM 174 CB LEU A 61 9.163 -4.635 5.308 1.00 0.00 C ATOM 175 CG LEU A 61 7.913 -5.514 5.406 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.973 -6.611 4.342 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.845 -6.156 6.794 1.00 0.00 C ATOM 0 H LEU A 61 7.063 -2.782 4.027 1.00 0.00 H new ATOM 0 HA LEU A 61 9.878 -2.739 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.988 -5.247 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.431 -4.302 6.311 1.00 0.00 H new ATOM 0 HG LEU A 61 7.027 -4.900 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.083 -7.236 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.019 -6.156 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.860 -7.224 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.955 -6.781 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.732 -6.769 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.800 -5.376 7.554 1.00 0.00 H new ATOM 189 N ALA A 62 10.206 -4.261 2.467 1.00 0.00 N ATOM 190 CA ALA A 62 10.335 -4.717 1.086 1.00 0.00 C ATOM 191 C ALA A 62 9.817 -6.145 0.948 1.00 0.00 C ATOM 192 O ALA A 62 10.532 -7.109 1.216 1.00 0.00 O ATOM 193 CB ALA A 62 11.798 -4.672 0.642 1.00 0.00 C ATOM 0 H ALA A 62 11.072 -4.281 3.005 1.00 0.00 H new ATOM 0 HA ALA A 62 9.745 -4.053 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.876 -5.015 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.169 -3.649 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.394 -5.319 1.286 1.00 0.00 H new ATOM 199 N GLY A 63 8.562 -6.267 0.524 1.00 0.00 N ATOM 200 CA GLY A 63 7.952 -7.582 0.350 1.00 0.00 C ATOM 201 C GLY A 63 7.334 -7.712 -1.037 1.00 0.00 C ATOM 202 O GLY A 63 7.889 -7.235 -2.028 1.00 0.00 O ATOM 0 H GLY A 63 7.953 -5.481 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.704 -8.358 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.186 -7.736 1.110 1.00 0.00 H new ATOM 206 N THR A 64 6.175 -8.362 -1.098 1.00 0.00 N ATOM 207 CA THR A 64 5.484 -8.550 -2.370 1.00 0.00 C ATOM 208 C THR A 64 3.990 -8.288 -2.209 1.00 0.00 C ATOM 209 O THR A 64 3.389 -8.647 -1.197 1.00 0.00 O ATOM 210 CB THR A 64 5.687 -9.977 -2.884 1.00 0.00 C ATOM 211 OG1 THR A 64 7.062 -10.322 -2.790 1.00 0.00 O ATOM 212 CG2 THR A 64 5.234 -10.065 -4.342 1.00 0.00 C ATOM 0 H THR A 64 5.699 -8.764 -0.291 1.00 0.00 H new ATOM 0 HA THR A 64 5.902 -7.843 -3.087 1.00 0.00 H new ATOM 0 HB THR A 64 5.098 -10.668 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.193 -11.236 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.379 -11.082 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.179 -9.801 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.821 -9.375 -4.948 1.00 0.00 H new ATOM 220 N VAL A 65 3.398 -7.659 -3.220 1.00 0.00 N ATOM 221 CA VAL A 65 1.971 -7.356 -3.182 1.00 0.00 C ATOM 222 C VAL A 65 1.156 -8.636 -3.337 1.00 0.00 C ATOM 223 O VAL A 65 1.374 -9.420 -4.261 1.00 0.00 O ATOM 224 CB VAL A 65 1.595 -6.383 -4.304 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.140 -5.941 -4.135 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.506 -5.155 -4.241 1.00 0.00 C ATOM 0 H VAL A 65 3.877 -7.352 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 65 1.749 -6.895 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 65 1.715 -6.880 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.125 -5.249 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.513 -6.813 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.020 -5.446 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.239 -4.462 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.385 -4.661 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.544 -5.465 -4.362 1.00 0.00 H new ATOM 236 N SER A 66 0.216 -8.839 -2.420 1.00 0.00 N ATOM 237 CA SER A 66 -0.627 -10.030 -2.460 1.00 0.00 C ATOM 238 C SER A 66 -1.973 -9.711 -3.103 1.00 0.00 C ATOM 239 O SER A 66 -2.329 -10.270 -4.140 1.00 0.00 O ATOM 240 CB SER A 66 -0.865 -10.566 -1.049 1.00 0.00 C ATOM 241 OG SER A 66 -1.084 -11.969 -1.111 1.00 0.00 O ATOM 0 H SER A 66 0.019 -8.202 -1.648 1.00 0.00 H new ATOM 0 HA SER A 66 -0.111 -10.785 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.006 -10.348 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.726 -10.071 -0.600 1.00 0.00 H new ATOM 0 HG SER A 66 -1.235 -12.317 -0.207 1.00 0.00 H new ATOM 247 N LYS A 67 -2.721 -8.808 -2.472 1.00 0.00 N ATOM 248 CA LYS A 67 -4.033 -8.426 -2.993 1.00 0.00 C ATOM 249 C LYS A 67 -4.356 -6.984 -2.618 1.00 0.00 C ATOM 250 O LYS A 67 -4.000 -6.513 -1.539 1.00 0.00 O ATOM 251 CB LYS A 67 -5.131 -9.335 -2.427 1.00 0.00 C ATOM 252 CG LYS A 67 -4.710 -10.802 -2.553 1.00 0.00 C ATOM 253 CD LYS A 67 -5.902 -11.705 -2.230 1.00 0.00 C ATOM 254 CE LYS A 67 -6.654 -12.037 -3.521 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.109 -12.240 -3.265 1.00 0.00 N ATOM 0 H LYS A 67 -2.447 -8.333 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.999 -8.529 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.315 -9.089 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.065 -9.168 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.351 -11.003 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.885 -11.014 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.558 -12.622 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.569 -11.207 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.519 -11.230 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.232 -12.937 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.591 -12.463 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.237 -13.026 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.515 -11.372 -2.861 1.00 0.00 H new ATOM 269 N ILE A 68 -5.043 -6.291 -3.522 1.00 0.00 N ATOM 270 CA ILE A 68 -5.419 -4.902 -3.277 1.00 0.00 C ATOM 271 C ILE A 68 -6.869 -4.828 -2.805 1.00 0.00 C ATOM 272 O ILE A 68 -7.768 -5.392 -3.429 1.00 0.00 O ATOM 273 CB ILE A 68 -5.260 -4.068 -4.550 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.848 -4.261 -5.112 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.480 -2.589 -4.226 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.795 -3.744 -6.550 1.00 0.00 C ATOM 0 H ILE A 68 -5.348 -6.663 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.762 -4.502 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.995 -4.390 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.124 -3.728 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.575 -5.316 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.366 -1.997 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.484 -2.450 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.747 -2.265 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.790 -3.882 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.508 -4.297 -7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.050 -2.684 -6.565 1.00 0.00 H new ATOM 288 N LEU A 69 -7.084 -4.133 -1.693 1.00 0.00 N ATOM 289 CA LEU A 69 -8.428 -4.000 -1.139 1.00 0.00 C ATOM 290 C LEU A 69 -9.060 -2.676 -1.560 1.00 0.00 C ATOM 291 O LEU A 69 -10.265 -2.599 -1.802 1.00 0.00 O ATOM 292 CB LEU A 69 -8.387 -4.069 0.387 1.00 0.00 C ATOM 293 CG LEU A 69 -8.317 -5.479 0.977 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.862 -5.953 0.995 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.863 -5.462 2.407 1.00 0.00 C ATOM 0 H LEU A 69 -6.354 -3.658 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.029 -4.823 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.523 -3.504 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.274 -3.572 0.781 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.914 -6.157 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.812 -6.957 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.471 -5.965 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.266 -5.274 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.813 -6.466 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.266 -4.784 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.899 -5.124 2.397 1.00 0.00 H new ATOM 307 N VAL A 70 -8.237 -1.635 -1.643 1.00 0.00 N ATOM 308 CA VAL A 70 -8.738 -0.319 -2.035 1.00 0.00 C ATOM 309 C VAL A 70 -8.133 0.116 -3.367 1.00 0.00 C ATOM 310 O VAL A 70 -6.945 -0.079 -3.623 1.00 0.00 O ATOM 311 CB VAL A 70 -8.404 0.728 -0.966 1.00 0.00 C ATOM 312 CG1 VAL A 70 -9.063 0.333 0.357 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.886 0.811 -0.773 1.00 0.00 C ATOM 0 H VAL A 70 -7.237 -1.673 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.820 -0.395 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.779 1.700 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.826 1.077 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.144 0.281 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.689 -0.641 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.656 1.557 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.506 -0.160 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.415 1.095 -1.714 1.00 0.00 H new ATOM 323 N LYS A 71 -8.969 0.716 -4.206 1.00 0.00 N ATOM 324 CA LYS A 71 -8.519 1.191 -5.508 1.00 0.00 C ATOM 325 C LYS A 71 -9.079 2.583 -5.771 1.00 0.00 C ATOM 326 O LYS A 71 -10.028 3.017 -5.117 1.00 0.00 O ATOM 327 CB LYS A 71 -8.982 0.246 -6.618 1.00 0.00 C ATOM 328 CG LYS A 71 -10.496 0.048 -6.523 1.00 0.00 C ATOM 329 CD LYS A 71 -11.029 -0.469 -7.861 1.00 0.00 C ATOM 330 CE LYS A 71 -12.526 -0.172 -7.964 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.175 -1.005 -9.016 1.00 0.00 N ATOM 0 H LYS A 71 -9.956 0.884 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.430 1.224 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.719 0.657 -7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.473 -0.714 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.732 -0.659 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.981 0.990 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.496 0.006 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.854 -1.542 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.003 -0.361 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.674 0.884 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.189 -0.780 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.735 -0.806 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.054 -2.012 -8.785 1.00 0.00 H new ATOM 345 N GLU A 72 -8.483 3.284 -6.734 1.00 0.00 N ATOM 346 CA GLU A 72 -8.935 4.637 -7.075 1.00 0.00 C ATOM 347 C GLU A 72 -10.427 4.644 -7.400 1.00 0.00 C ATOM 348 O GLU A 72 -10.858 4.137 -8.436 1.00 0.00 O ATOM 349 CB GLU A 72 -8.159 5.196 -8.275 1.00 0.00 C ATOM 350 CG GLU A 72 -8.056 4.135 -9.379 1.00 0.00 C ATOM 351 CD GLU A 72 -8.230 4.794 -10.744 1.00 0.00 C ATOM 352 OE1 GLU A 72 -9.210 5.500 -10.918 1.00 0.00 O ATOM 353 OE2 GLU A 72 -7.382 4.582 -11.594 1.00 0.00 O ATOM 0 H GLU A 72 -7.696 2.946 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.749 5.268 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.660 6.084 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.161 5.503 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.089 3.635 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.819 3.370 -9.234 1.00 0.00 H new ATOM 360 N GLY A 73 -11.209 5.221 -6.492 1.00 0.00 N ATOM 361 CA GLY A 73 -12.656 5.290 -6.672 1.00 0.00 C ATOM 362 C GLY A 73 -13.376 5.045 -5.349 1.00 0.00 C ATOM 363 O GLY A 73 -14.468 5.564 -5.117 1.00 0.00 O ATOM 0 H GLY A 73 -10.868 5.645 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.932 6.268 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.972 4.549 -7.406 1.00 0.00 H new ATOM 367 N ASP A 74 -12.751 4.249 -4.482 1.00 0.00 N ATOM 368 CA ASP A 74 -13.341 3.944 -3.182 1.00 0.00 C ATOM 369 C ASP A 74 -12.666 4.764 -2.086 1.00 0.00 C ATOM 370 O ASP A 74 -11.517 5.183 -2.225 1.00 0.00 O ATOM 371 CB ASP A 74 -13.186 2.457 -2.858 1.00 0.00 C ATOM 372 CG ASP A 74 -14.315 1.672 -3.517 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.462 1.941 -3.201 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.015 0.811 -4.328 1.00 0.00 O ATOM 0 H ASP A 74 -11.847 3.809 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.400 4.196 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.221 2.095 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.205 2.305 -1.779 1.00 0.00 H new ATOM 379 N THR A 75 -13.392 4.985 -0.995 1.00 0.00 N ATOM 380 CA THR A 75 -12.855 5.758 0.122 1.00 0.00 C ATOM 381 C THR A 75 -12.298 4.827 1.195 1.00 0.00 C ATOM 382 O THR A 75 -12.766 3.701 1.364 1.00 0.00 O ATOM 383 CB THR A 75 -13.945 6.635 0.741 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.717 7.229 -0.294 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.301 7.730 1.592 1.00 0.00 C ATOM 0 H THR A 75 -14.344 4.644 -0.860 1.00 0.00 H new ATOM 0 HA THR A 75 -12.055 6.391 -0.262 1.00 0.00 H new ATOM 0 HB THR A 75 -14.590 6.022 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.417 7.790 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.079 8.354 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.710 7.273 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.654 8.345 0.966 1.00 0.00 H new ATOM 393 N VAL A 76 -11.291 5.311 1.916 1.00 0.00 N ATOM 394 CA VAL A 76 -10.672 4.516 2.973 1.00 0.00 C ATOM 395 C VAL A 76 -10.716 5.266 4.301 1.00 0.00 C ATOM 396 O VAL A 76 -11.022 6.458 4.349 1.00 0.00 O ATOM 397 CB VAL A 76 -9.215 4.204 2.626 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.167 3.297 1.394 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.472 5.508 2.326 1.00 0.00 C ATOM 0 H VAL A 76 -10.889 6.240 1.790 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.231 3.585 3.063 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.741 3.700 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.129 3.074 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.697 2.368 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.641 3.802 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.434 5.287 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.946 6.011 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.506 6.156 3.202 1.00 0.00 H new ATOM 409 N LYS A 77 -10.405 4.553 5.379 1.00 0.00 N ATOM 410 CA LYS A 77 -10.409 5.157 6.709 1.00 0.00 C ATOM 411 C LYS A 77 -9.103 4.855 7.435 1.00 0.00 C ATOM 412 O LYS A 77 -8.427 3.868 7.142 1.00 0.00 O ATOM 413 CB LYS A 77 -11.576 4.618 7.539 1.00 0.00 C ATOM 414 CG LYS A 77 -12.888 5.216 7.026 1.00 0.00 C ATOM 415 CD LYS A 77 -13.070 6.621 7.605 1.00 0.00 C ATOM 416 CE LYS A 77 -14.503 7.094 7.358 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.639 7.740 6.021 1.00 0.00 N ATOM 0 H LYS A 77 -10.149 3.566 5.360 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.517 6.235 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.610 3.530 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.436 4.871 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.879 5.258 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.726 4.581 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.857 6.616 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.364 7.310 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.185 6.246 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.794 7.799 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.622 8.050 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.006 8.563 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.384 7.058 5.278 1.00 0.00 H new ATOM 431 N ALA A 78 -8.754 5.717 8.386 1.00 0.00 N ATOM 432 CA ALA A 78 -7.525 5.535 9.152 1.00 0.00 C ATOM 433 C ALA A 78 -7.576 4.230 9.939 1.00 0.00 C ATOM 434 O ALA A 78 -8.274 4.121 10.946 1.00 0.00 O ATOM 435 CB ALA A 78 -7.325 6.696 10.127 1.00 0.00 C ATOM 0 H ALA A 78 -9.299 6.540 8.643 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.693 5.504 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.404 6.544 10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.260 7.631 9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.168 6.742 10.816 1.00 0.00 H new ATOM 441 N GLY A 79 -6.825 3.237 9.466 1.00 0.00 N ATOM 442 CA GLY A 79 -6.790 1.939 10.133 1.00 0.00 C ATOM 443 C GLY A 79 -7.350 0.845 9.228 1.00 0.00 C ATOM 444 O GLY A 79 -6.958 -0.319 9.324 1.00 0.00 O ATOM 0 H GLY A 79 -6.240 3.305 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.764 1.696 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.368 1.984 11.056 1.00 0.00 H new ATOM 448 N GLN A 80 -8.274 1.228 8.351 1.00 0.00 N ATOM 449 CA GLN A 80 -8.885 0.268 7.433 1.00 0.00 C ATOM 450 C GLN A 80 -7.828 -0.350 6.522 1.00 0.00 C ATOM 451 O GLN A 80 -6.891 0.320 6.090 1.00 0.00 O ATOM 452 CB GLN A 80 -9.946 0.954 6.570 1.00 0.00 C ATOM 453 CG GLN A 80 -10.786 -0.106 5.855 1.00 0.00 C ATOM 454 CD GLN A 80 -11.588 0.549 4.737 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.534 1.292 4.996 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.263 0.315 3.494 1.00 0.00 N ATOM 0 H GLN A 80 -8.614 2.185 8.256 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.352 -0.516 8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.585 1.582 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.469 1.608 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.139 -0.883 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.458 -0.591 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.479 -0.301 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.793 0.748 2.738 1.00 0.00 H new ATOM 465 N THR A 81 -7.995 -1.638 6.236 1.00 0.00 N ATOM 466 CA THR A 81 -7.053 -2.347 5.373 1.00 0.00 C ATOM 467 C THR A 81 -7.134 -1.810 3.950 1.00 0.00 C ATOM 468 O THR A 81 -8.219 -1.545 3.431 1.00 0.00 O ATOM 469 CB THR A 81 -7.360 -3.846 5.360 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.487 -4.313 6.697 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.225 -4.596 4.662 1.00 0.00 C ATOM 0 H THR A 81 -8.765 -2.208 6.585 1.00 0.00 H new ATOM 0 HA THR A 81 -6.049 -2.189 5.766 1.00 0.00 H new ATOM 0 HB THR A 81 -8.292 -4.021 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.685 -5.273 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.445 -5.663 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.128 -4.237 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.291 -4.422 5.197 1.00 0.00 H new ATOM 479 N VAL A 82 -5.972 -1.643 3.326 1.00 0.00 N ATOM 480 CA VAL A 82 -5.921 -1.124 1.961 1.00 0.00 C ATOM 481 C VAL A 82 -5.303 -2.143 1.005 1.00 0.00 C ATOM 482 O VAL A 82 -5.684 -2.223 -0.162 1.00 0.00 O ATOM 483 CB VAL A 82 -5.097 0.163 1.912 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.813 1.259 2.705 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.719 -0.091 2.526 1.00 0.00 C ATOM 0 H VAL A 82 -5.063 -1.856 3.736 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.945 -0.921 1.649 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.982 0.481 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.225 2.176 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.795 1.441 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.929 0.942 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.131 0.826 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.835 -0.409 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.208 -0.871 1.962 1.00 0.00 H new ATOM 495 N LEU A 83 -4.337 -2.913 1.501 1.00 0.00 N ATOM 496 CA LEU A 83 -3.675 -3.907 0.659 1.00 0.00 C ATOM 497 C LEU A 83 -2.944 -4.946 1.507 1.00 0.00 C ATOM 498 O LEU A 83 -2.502 -4.662 2.621 1.00 0.00 O ATOM 499 CB LEU A 83 -2.667 -3.216 -0.268 1.00 0.00 C ATOM 500 CG LEU A 83 -1.789 -4.147 -1.116 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.526 -3.506 -2.483 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.454 -4.381 -0.403 1.00 0.00 C ATOM 0 H LEU A 83 -4.000 -2.870 2.463 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.440 -4.412 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.214 -2.554 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.016 -2.587 0.339 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.303 -5.098 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.902 -4.170 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.474 -3.338 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.014 -2.553 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.169 -5.042 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.056 -3.428 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.636 -4.840 0.569 1.00 0.00 H new ATOM 514 N VAL A 84 -2.814 -6.150 0.956 1.00 0.00 N ATOM 515 CA VAL A 84 -2.121 -7.230 1.654 1.00 0.00 C ATOM 516 C VAL A 84 -0.724 -7.407 1.067 1.00 0.00 C ATOM 517 O VAL A 84 -0.521 -7.262 -0.138 1.00 0.00 O ATOM 518 CB VAL A 84 -2.895 -8.544 1.518 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.249 -9.611 2.405 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.346 -8.329 1.956 1.00 0.00 C ATOM 0 H VAL A 84 -3.176 -6.402 0.036 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.050 -6.969 2.710 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.873 -8.872 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.800 -10.547 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.215 -9.765 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.271 -9.283 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.898 -9.264 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.368 -8.001 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.807 -7.569 1.326 1.00 0.00 H new ATOM 530 N LEU A 85 0.240 -7.714 1.930 1.00 0.00 N ATOM 531 CA LEU A 85 1.617 -7.897 1.478 1.00 0.00 C ATOM 532 C LEU A 85 2.105 -9.309 1.787 1.00 0.00 C ATOM 533 O LEU A 85 1.473 -10.053 2.538 1.00 0.00 O ATOM 534 CB LEU A 85 2.538 -6.878 2.159 1.00 0.00 C ATOM 535 CG LEU A 85 3.567 -6.211 1.243 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.965 -4.941 0.639 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.813 -5.849 2.052 1.00 0.00 C ATOM 0 H LEU A 85 0.098 -7.840 2.932 1.00 0.00 H new ATOM 0 HA LEU A 85 1.642 -7.744 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.921 -6.101 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.068 -7.377 2.970 1.00 0.00 H new ATOM 0 HG LEU A 85 3.841 -6.900 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.698 -4.466 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.077 -5.198 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.690 -4.253 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.545 -5.374 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.540 -5.161 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.243 -6.754 2.482 1.00 0.00 H new ATOM 549 N GLU A 86 3.243 -9.666 1.198 1.00 0.00 N ATOM 550 CA GLU A 86 3.821 -10.989 1.411 1.00 0.00 C ATOM 551 C GLU A 86 5.333 -10.886 1.585 1.00 0.00 C ATOM 552 O GLU A 86 6.064 -10.604 0.637 1.00 0.00 O ATOM 553 CB GLU A 86 3.517 -11.905 0.223 1.00 0.00 C ATOM 554 CG GLU A 86 2.182 -12.615 0.455 1.00 0.00 C ATOM 555 CD GLU A 86 2.408 -13.862 1.302 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.487 -13.724 2.513 1.00 0.00 O ATOM 557 OE2 GLU A 86 2.500 -14.935 0.730 1.00 0.00 O ATOM 0 H GLU A 86 3.779 -9.063 0.574 1.00 0.00 H new ATOM 0 HA GLU A 86 3.378 -11.409 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.476 -11.323 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.315 -12.638 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.484 -11.944 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.733 -12.888 -0.500 1.00 0.00 H new ATOM 630 N GLU A 91 2.042 -13.401 5.492 1.00 0.00 N ATOM 631 CA GLU A 91 1.178 -12.368 4.925 1.00 0.00 C ATOM 632 C GLU A 91 1.051 -11.193 5.889 1.00 0.00 C ATOM 633 O GLU A 91 0.777 -11.370 7.075 1.00 0.00 O ATOM 634 CB GLU A 91 -0.215 -12.932 4.641 1.00 0.00 C ATOM 635 CG GLU A 91 -0.160 -13.834 3.406 1.00 0.00 C ATOM 636 CD GLU A 91 -1.514 -14.506 3.205 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.510 -13.801 3.206 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.536 -15.717 3.053 1.00 0.00 O ATOM 0 HA GLU A 91 1.628 -12.027 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.572 -13.498 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.922 -12.118 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.101 -13.247 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.617 -14.588 3.528 1.00 0.00 H new ATOM 645 N THR A 92 1.256 -9.989 5.362 1.00 0.00 N ATOM 646 CA THR A 92 1.164 -8.784 6.182 1.00 0.00 C ATOM 647 C THR A 92 0.055 -7.875 5.665 1.00 0.00 C ATOM 648 O THR A 92 0.055 -7.471 4.503 1.00 0.00 O ATOM 649 CB THR A 92 2.488 -8.017 6.160 1.00 0.00 C ATOM 650 OG1 THR A 92 3.559 -8.920 6.402 1.00 0.00 O ATOM 651 CG2 THR A 92 2.473 -6.938 7.242 1.00 0.00 C ATOM 0 H THR A 92 1.484 -9.822 4.382 1.00 0.00 H new ATOM 0 HA THR A 92 0.940 -9.088 7.204 1.00 0.00 H new ATOM 0 HB THR A 92 2.621 -7.547 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.408 -8.432 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.417 -6.393 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.651 -6.247 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.341 -7.404 8.219 1.00 0.00 H new ATOM 659 N GLU A 93 -0.892 -7.558 6.543 1.00 0.00 N ATOM 660 CA GLU A 93 -2.007 -6.695 6.164 1.00 0.00 C ATOM 661 C GLU A 93 -1.617 -5.227 6.294 1.00 0.00 C ATOM 662 O GLU A 93 -1.060 -4.804 7.307 1.00 0.00 O ATOM 663 CB GLU A 93 -3.221 -6.968 7.054 1.00 0.00 C ATOM 664 CG GLU A 93 -3.607 -8.445 6.955 1.00 0.00 C ATOM 665 CD GLU A 93 -4.673 -8.623 5.879 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.562 -7.976 4.851 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.584 -9.403 6.099 1.00 0.00 O ATOM 0 H GLU A 93 -0.911 -7.881 7.510 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.260 -6.912 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.992 -6.710 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.058 -6.341 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.730 -9.046 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.982 -8.799 7.915 1.00 0.00 H new ATOM 674 N ILE A 94 -1.919 -4.454 5.255 1.00 0.00 N ATOM 675 CA ILE A 94 -1.601 -3.028 5.259 1.00 0.00 C ATOM 676 C ILE A 94 -2.870 -2.210 5.473 1.00 0.00 C ATOM 677 O ILE A 94 -3.959 -2.613 5.067 1.00 0.00 O ATOM 678 CB ILE A 94 -0.957 -2.610 3.932 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.187 -3.574 3.574 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.413 -1.183 4.055 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.260 -3.558 4.670 1.00 0.00 C ATOM 0 H ILE A 94 -2.379 -4.786 4.407 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.898 -2.842 6.071 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.708 -2.645 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.204 -4.584 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.628 -3.287 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.045 -0.886 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.230 -0.501 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.333 -1.145 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.063 -4.245 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.663 -2.550 4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.818 -3.868 5.617 1.00 0.00 H new ATOM 693 N ASN A 95 -2.718 -1.058 6.119 1.00 0.00 N ATOM 694 CA ASN A 95 -3.864 -0.193 6.384 1.00 0.00 C ATOM 695 C ASN A 95 -3.494 1.270 6.166 1.00 0.00 C ATOM 696 O ASN A 95 -2.342 1.668 6.340 1.00 0.00 O ATOM 697 CB ASN A 95 -4.357 -0.377 7.821 1.00 0.00 C ATOM 698 CG ASN A 95 -3.191 -0.219 8.793 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.163 0.367 8.453 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.290 -0.713 9.997 1.00 0.00 N ATOM 0 H ASN A 95 -1.826 -0.705 6.465 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.659 -0.471 5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.132 0.356 8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.808 -1.363 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.517 -0.613 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.141 -1.199 10.281 1.00 0.00 H new ATOM 707 N ALA A 96 -4.489 2.065 5.783 1.00 0.00 N ATOM 708 CA ALA A 96 -4.267 3.488 5.541 1.00 0.00 C ATOM 709 C ALA A 96 -3.819 4.185 6.829 1.00 0.00 C ATOM 710 O ALA A 96 -4.283 3.844 7.918 1.00 0.00 O ATOM 711 CB ALA A 96 -5.552 4.148 5.038 1.00 0.00 C ATOM 0 H ALA A 96 -5.449 1.752 5.634 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.487 3.586 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.372 5.208 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.865 3.674 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.337 4.033 5.786 1.00 0.00 H new ATOM 717 N PRO A 97 -2.915 5.170 6.725 1.00 0.00 N ATOM 718 CA PRO A 97 -2.420 5.906 7.898 1.00 0.00 C ATOM 719 C PRO A 97 -3.467 6.860 8.466 1.00 0.00 C ATOM 720 O PRO A 97 -3.546 7.072 9.677 1.00 0.00 O ATOM 721 CB PRO A 97 -1.222 6.687 7.366 1.00 0.00 C ATOM 722 CG PRO A 97 -1.478 6.845 5.907 1.00 0.00 C ATOM 723 CD PRO A 97 -2.295 5.658 5.478 1.00 0.00 C ATOM 0 HA PRO A 97 -2.169 5.232 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.133 7.656 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.290 6.151 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.011 7.774 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.541 6.890 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.049 5.939 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.671 4.892 5.018 1.00 0.00 H new ATOM 731 N THR A 98 -4.271 7.431 7.575 1.00 0.00 N ATOM 732 CA THR A 98 -5.316 8.362 7.990 1.00 0.00 C ATOM 733 C THR A 98 -6.526 8.246 7.067 1.00 0.00 C ATOM 734 O THR A 98 -6.461 7.614 6.013 1.00 0.00 O ATOM 735 CB THR A 98 -4.798 9.802 7.952 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.098 10.019 6.734 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.856 10.039 9.133 1.00 0.00 C ATOM 0 H THR A 98 -4.221 7.268 6.569 1.00 0.00 H new ATOM 0 HA THR A 98 -5.608 8.109 9.009 1.00 0.00 H new ATOM 0 HB THR A 98 -5.639 10.493 8.017 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.767 10.941 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.488 11.065 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.394 9.872 10.066 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.014 9.350 9.071 1.00 0.00 H new ATOM 745 N ASP A 99 -7.630 8.864 7.477 1.00 0.00 N ATOM 746 CA ASP A 99 -8.851 8.825 6.678 1.00 0.00 C ATOM 747 C ASP A 99 -8.674 9.628 5.395 1.00 0.00 C ATOM 748 O ASP A 99 -8.031 10.678 5.387 1.00 0.00 O ATOM 749 CB ASP A 99 -10.030 9.399 7.466 1.00 0.00 C ATOM 750 CG ASP A 99 -9.666 10.782 7.995 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.536 11.688 7.189 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.522 10.916 9.200 1.00 0.00 O ATOM 0 H ASP A 99 -7.705 9.392 8.347 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.055 7.783 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.911 9.463 6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.284 8.737 8.294 1.00 0.00 H new ATOM 757 N GLY A 100 -9.249 9.121 4.309 1.00 0.00 N ATOM 758 CA GLY A 100 -9.149 9.798 3.019 1.00 0.00 C ATOM 759 C GLY A 100 -9.741 8.938 1.909 1.00 0.00 C ATOM 760 O GLY A 100 -10.513 8.014 2.164 1.00 0.00 O ATOM 0 H GLY A 100 -9.784 8.253 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.672 10.753 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.104 10.016 2.798 1.00 0.00 H new ATOM 764 N LYS A 101 -9.372 9.254 0.672 1.00 0.00 N ATOM 765 CA LYS A 101 -9.872 8.507 -0.479 1.00 0.00 C ATOM 766 C LYS A 101 -8.729 8.163 -1.429 1.00 0.00 C ATOM 767 O LYS A 101 -7.846 8.982 -1.683 1.00 0.00 O ATOM 768 CB LYS A 101 -10.919 9.326 -1.235 1.00 0.00 C ATOM 769 CG LYS A 101 -11.636 8.431 -2.248 1.00 0.00 C ATOM 770 CD LYS A 101 -13.100 8.861 -2.364 1.00 0.00 C ATOM 771 CE LYS A 101 -13.205 10.069 -3.297 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.624 10.366 -3.643 1.00 0.00 N ATOM 0 H LYS A 101 -8.734 10.015 0.441 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.327 7.588 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.639 9.750 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.442 10.162 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.148 8.500 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.576 7.389 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.702 8.038 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.495 9.113 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.755 10.940 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.639 9.877 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.662 11.190 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.045 9.543 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.157 10.573 -2.774 1.00 0.00 H new ATOM 786 N VAL A 102 -8.759 6.941 -1.952 1.00 0.00 N ATOM 787 CA VAL A 102 -7.722 6.494 -2.878 1.00 0.00 C ATOM 788 C VAL A 102 -7.914 7.150 -4.242 1.00 0.00 C ATOM 789 O VAL A 102 -8.978 7.042 -4.853 1.00 0.00 O ATOM 790 CB VAL A 102 -7.770 4.972 -3.042 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.568 4.503 -3.864 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.729 4.308 -1.663 1.00 0.00 C ATOM 0 H VAL A 102 -9.481 6.249 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.754 6.782 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.691 4.695 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.606 3.420 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.594 4.973 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.647 4.782 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.763 3.225 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.809 4.589 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.586 4.637 -1.075 1.00 0.00 H new ATOM 802 N GLU A 103 -6.875 7.836 -4.710 1.00 0.00 N ATOM 803 CA GLU A 103 -6.944 8.510 -6.006 1.00 0.00 C ATOM 804 C GLU A 103 -6.274 7.665 -7.087 1.00 0.00 C ATOM 805 O GLU A 103 -6.689 7.672 -8.246 1.00 0.00 O ATOM 806 CB GLU A 103 -6.259 9.880 -5.946 1.00 0.00 C ATOM 807 CG GLU A 103 -4.857 9.737 -5.346 1.00 0.00 C ATOM 808 CD GLU A 103 -4.072 11.024 -5.574 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.217 11.933 -4.774 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.336 11.082 -6.547 1.00 0.00 O ATOM 0 H GLU A 103 -5.986 7.940 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.997 8.646 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.194 10.308 -6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.853 10.567 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.926 9.525 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.338 8.896 -5.805 1.00 0.00 H new ATOM 817 N LYS A 104 -5.232 6.937 -6.694 1.00 0.00 N ATOM 818 CA LYS A 104 -4.508 6.089 -7.637 1.00 0.00 C ATOM 819 C LYS A 104 -3.700 5.034 -6.891 1.00 0.00 C ATOM 820 O LYS A 104 -3.218 5.268 -5.783 1.00 0.00 O ATOM 821 CB LYS A 104 -3.559 6.931 -8.494 1.00 0.00 C ATOM 822 CG LYS A 104 -3.450 6.319 -9.892 1.00 0.00 C ATOM 823 CD LYS A 104 -2.038 6.544 -10.443 1.00 0.00 C ATOM 824 CE LYS A 104 -1.181 5.295 -10.208 1.00 0.00 C ATOM 825 NZ LYS A 104 0.174 5.654 -9.701 1.00 0.00 N ATOM 0 H LYS A 104 -4.873 6.917 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.239 5.599 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.926 7.955 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.575 6.976 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.670 5.252 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.187 6.771 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.086 6.768 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.581 7.406 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.678 4.640 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.087 4.736 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.706 4.786 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.681 6.202 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.081 6.224 -8.836 1.00 0.00 H new ATOM 839 N VAL A 105 -3.554 3.869 -7.513 1.00 0.00 N ATOM 840 CA VAL A 105 -2.796 2.779 -6.902 1.00 0.00 C ATOM 841 C VAL A 105 -1.403 2.702 -7.519 1.00 0.00 C ATOM 842 O VAL A 105 -1.252 2.493 -8.723 1.00 0.00 O ATOM 843 CB VAL A 105 -3.508 1.435 -7.103 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.854 0.370 -6.215 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.987 1.571 -6.724 1.00 0.00 C ATOM 0 H VAL A 105 -3.945 3.655 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.718 2.981 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.427 1.140 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.361 -0.584 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.803 0.267 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.933 0.669 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.489 0.614 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.069 1.870 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.456 2.326 -7.355 1.00 0.00 H new ATOM 855 N LEU A 106 -0.386 2.882 -6.679 1.00 0.00 N ATOM 856 CA LEU A 106 1.001 2.840 -7.148 1.00 0.00 C ATOM 857 C LEU A 106 1.581 1.422 -7.093 1.00 0.00 C ATOM 858 O LEU A 106 2.798 1.247 -7.059 1.00 0.00 O ATOM 859 CB LEU A 106 1.876 3.759 -6.293 1.00 0.00 C ATOM 860 CG LEU A 106 1.444 5.229 -6.257 1.00 0.00 C ATOM 861 CD1 LEU A 106 1.823 5.841 -4.908 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.151 5.994 -7.378 1.00 0.00 C ATOM 0 H LEU A 106 -0.492 3.057 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 106 0.997 3.175 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.888 3.376 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.899 3.707 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 106 0.365 5.293 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.515 6.886 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.322 5.296 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.902 5.777 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.845 7.040 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.230 5.928 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.882 5.559 -8.341 1.00 0.00 H new ATOM 874 N VAL A 107 0.712 0.412 -7.081 1.00 0.00 N ATOM 875 CA VAL A 107 1.179 -0.972 -7.028 1.00 0.00 C ATOM 876 C VAL A 107 0.144 -1.913 -7.635 1.00 0.00 C ATOM 877 O VAL A 107 -1.046 -1.601 -7.687 1.00 0.00 O ATOM 878 CB VAL A 107 1.442 -1.389 -5.580 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.600 -0.567 -5.012 1.00 0.00 C ATOM 880 CG2 VAL A 107 0.185 -1.139 -4.741 1.00 0.00 C ATOM 0 H VAL A 107 -0.302 0.522 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 107 2.104 -1.036 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 107 1.698 -2.448 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.786 -0.865 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.496 -0.741 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.344 0.492 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.371 -1.436 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.069 -0.080 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.643 -1.723 -5.143 1.00 0.00 H new ATOM 890 N LYS A 108 0.612 -3.071 -8.090 1.00 0.00 N ATOM 891 CA LYS A 108 -0.277 -4.061 -8.691 1.00 0.00 C ATOM 892 C LYS A 108 -0.029 -5.435 -8.077 1.00 0.00 C ATOM 893 O LYS A 108 1.029 -5.692 -7.505 1.00 0.00 O ATOM 894 CB LYS A 108 -0.046 -4.142 -10.203 1.00 0.00 C ATOM 895 CG LYS A 108 -0.158 -2.744 -10.815 1.00 0.00 C ATOM 896 CD LYS A 108 -0.704 -2.852 -12.239 1.00 0.00 C ATOM 897 CE LYS A 108 0.350 -3.492 -13.144 1.00 0.00 C ATOM 898 NZ LYS A 108 0.163 -4.968 -13.240 1.00 0.00 N ATOM 0 H LYS A 108 1.594 -3.346 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.305 -3.754 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.939 -4.562 -10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.779 -4.809 -10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.816 -2.122 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.819 -2.260 -10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.615 -3.450 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.968 -1.863 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.293 -3.051 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.345 -3.275 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.557 -5.310 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.653 -5.432 -12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.852 -5.193 -13.199 1.00 0.00 H new ATOM 912 N GLU A 109 -1.021 -6.313 -8.199 1.00 0.00 N ATOM 913 CA GLU A 109 -0.903 -7.663 -7.650 1.00 0.00 C ATOM 914 C GLU A 109 0.269 -8.401 -8.292 1.00 0.00 C ATOM 915 O GLU A 109 0.634 -8.140 -9.438 1.00 0.00 O ATOM 916 CB GLU A 109 -2.188 -8.456 -7.898 1.00 0.00 C ATOM 917 CG GLU A 109 -3.271 -7.992 -6.923 1.00 0.00 C ATOM 918 CD GLU A 109 -4.522 -8.844 -7.110 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.865 -9.115 -8.249 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.119 -9.211 -6.112 1.00 0.00 O ATOM 0 H GLU A 109 -1.906 -6.119 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.732 -7.575 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.523 -8.313 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.000 -9.522 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.912 -8.075 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.504 -6.941 -7.095 1.00 0.00 H new ATOM 927 N ARG A 110 0.853 -9.329 -7.536 1.00 0.00 N ATOM 928 CA ARG A 110 1.986 -10.107 -8.036 1.00 0.00 C ATOM 929 C ARG A 110 3.158 -9.189 -8.374 1.00 0.00 C ATOM 930 O ARG A 110 3.932 -9.460 -9.292 1.00 0.00 O ATOM 931 CB ARG A 110 1.591 -10.892 -9.290 1.00 0.00 C ATOM 932 CG ARG A 110 0.444 -11.852 -8.956 1.00 0.00 C ATOM 933 CD ARG A 110 1.004 -13.247 -8.671 1.00 0.00 C ATOM 934 NE ARG A 110 1.142 -13.463 -7.233 1.00 0.00 N ATOM 935 CZ ARG A 110 0.886 -14.650 -6.691 1.00 0.00 C ATOM 936 NH1 ARG A 110 -0.185 -15.309 -7.041 1.00 0.00 N ATOM 937 NH2 ARG A 110 1.705 -15.156 -5.810 1.00 0.00 N ATOM 0 H ARG A 110 0.565 -9.559 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 110 2.283 -10.804 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.286 -10.206 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.448 -11.450 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.107 -11.487 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.260 -11.895 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.344 -14.003 -9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.974 -13.361 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 110 1.439 -12.692 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.825 -14.913 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.382 -16.220 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.542 -14.641 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.508 -16.067 -5.395 1.00 0.00 H new ATOM 951 N ASP A 111 3.279 -8.100 -7.620 1.00 0.00 N ATOM 952 CA ASP A 111 4.361 -7.146 -7.847 1.00 0.00 C ATOM 953 C ASP A 111 5.190 -6.968 -6.578 1.00 0.00 C ATOM 954 O ASP A 111 4.685 -7.112 -5.464 1.00 0.00 O ATOM 955 CB ASP A 111 3.799 -5.787 -8.269 1.00 0.00 C ATOM 956 CG ASP A 111 4.903 -4.958 -8.915 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.601 -4.269 -8.190 1.00 0.00 O ATOM 958 OD2 ASP A 111 5.035 -5.024 -10.127 1.00 0.00 O ATOM 0 H ASP A 111 2.649 -7.857 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 111 4.993 -7.539 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.975 -5.924 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.396 -5.263 -7.402 1.00 0.00 H new ATOM 963 N ALA A 112 6.468 -6.652 -6.760 1.00 0.00 N ATOM 964 CA ALA A 112 7.364 -6.456 -5.623 1.00 0.00 C ATOM 965 C ALA A 112 7.369 -4.991 -5.198 1.00 0.00 C ATOM 966 O ALA A 112 7.401 -4.087 -6.034 1.00 0.00 O ATOM 967 CB ALA A 112 8.790 -6.874 -5.985 1.00 0.00 C ATOM 0 H ALA A 112 6.904 -6.527 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 112 7.004 -7.074 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.443 -6.721 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.800 -7.927 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.144 -6.272 -6.822 1.00 0.00 H new ATOM 973 N VAL A 113 7.336 -4.766 -3.888 1.00 0.00 N ATOM 974 CA VAL A 113 7.336 -3.406 -3.356 1.00 0.00 C ATOM 975 C VAL A 113 8.538 -3.192 -2.441 1.00 0.00 C ATOM 976 O VAL A 113 9.005 -4.119 -1.779 1.00 0.00 O ATOM 977 CB VAL A 113 6.054 -3.139 -2.565 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.852 -3.185 -3.510 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.891 -4.209 -1.480 1.00 0.00 C ATOM 0 H VAL A 113 7.309 -5.500 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 113 7.392 -2.716 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 113 6.113 -2.155 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.939 -2.995 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.967 -2.424 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.793 -4.169 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.978 -4.019 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.832 -5.193 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.747 -4.177 -0.806 1.00 0.00 H new ATOM 989 N GLN A 114 9.032 -1.958 -2.410 1.00 0.00 N ATOM 990 CA GLN A 114 10.179 -1.629 -1.571 1.00 0.00 C ATOM 991 C GLN A 114 9.713 -0.996 -0.264 1.00 0.00 C ATOM 992 O GLN A 114 8.775 -0.199 -0.244 1.00 0.00 O ATOM 993 CB GLN A 114 11.114 -0.655 -2.292 1.00 0.00 C ATOM 994 CG GLN A 114 11.679 -1.325 -3.547 1.00 0.00 C ATOM 995 CD GLN A 114 12.741 -2.342 -3.147 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.533 -2.096 -2.237 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.806 -3.482 -3.778 1.00 0.00 N ATOM 0 H GLN A 114 8.661 -1.177 -2.950 1.00 0.00 H new ATOM 0 HA GLN A 114 10.717 -2.553 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.573 0.252 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.926 -0.356 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.879 -1.817 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.110 -0.575 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.150 -3.686 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.513 -4.170 -3.517 1.00 0.00 H new ATOM 1006 N GLY A 115 10.379 -1.361 0.829 1.00 0.00 N ATOM 1007 CA GLY A 115 10.024 -0.824 2.140 1.00 0.00 C ATOM 1008 C GLY A 115 10.174 0.694 2.164 1.00 0.00 C ATOM 1009 O GLY A 115 11.267 1.221 2.376 1.00 0.00 O ATOM 0 H GLY A 115 11.159 -2.019 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.997 -1.096 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.661 -1.269 2.905 1.00 0.00 H new ATOM 1013 N GLY A 116 9.062 1.390 1.944 1.00 0.00 N ATOM 1014 CA GLY A 116 9.080 2.850 1.941 1.00 0.00 C ATOM 1015 C GLY A 116 8.452 3.406 0.665 1.00 0.00 C ATOM 1016 O GLY A 116 7.916 4.514 0.654 1.00 0.00 O ATOM 0 H GLY A 116 8.148 0.973 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.539 3.225 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.107 3.204 2.028 1.00 0.00 H new ATOM 1020 N GLN A 117 8.529 2.628 -0.414 1.00 0.00 N ATOM 1021 CA GLN A 117 7.967 3.055 -1.695 1.00 0.00 C ATOM 1022 C GLN A 117 6.469 3.319 -1.566 1.00 0.00 C ATOM 1023 O GLN A 117 5.758 2.612 -0.851 1.00 0.00 O ATOM 1024 CB GLN A 117 8.194 1.985 -2.764 1.00 0.00 C ATOM 1025 CG GLN A 117 7.799 2.538 -4.135 1.00 0.00 C ATOM 1026 CD GLN A 117 7.802 1.408 -5.159 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.782 1.217 -5.879 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.751 0.643 -5.271 1.00 0.00 N ATOM 0 H GLN A 117 8.970 1.708 -0.428 1.00 0.00 H new ATOM 0 HA GLN A 117 8.471 3.975 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.240 1.680 -2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.605 1.097 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.810 2.994 -4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.496 3.320 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.939 0.801 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.741 -0.113 -5.955 1.00 0.00 H new ATOM 1037 N GLY A 118 6.000 4.346 -2.269 1.00 0.00 N ATOM 1038 CA GLY A 118 4.583 4.700 -2.232 1.00 0.00 C ATOM 1039 C GLY A 118 3.725 3.552 -2.752 1.00 0.00 C ATOM 1040 O GLY A 118 3.876 3.112 -3.891 1.00 0.00 O ATOM 0 H GLY A 118 6.573 4.943 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.291 4.945 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.410 5.591 -2.835 1.00 0.00 H new ATOM 1044 N LEU A 119 2.823 3.073 -1.901 1.00 0.00 N ATOM 1045 CA LEU A 119 1.941 1.975 -2.283 1.00 0.00 C ATOM 1046 C LEU A 119 0.662 2.515 -2.915 1.00 0.00 C ATOM 1047 O LEU A 119 0.253 2.081 -3.992 1.00 0.00 O ATOM 1048 CB LEU A 119 1.575 1.132 -1.059 1.00 0.00 C ATOM 1049 CG LEU A 119 2.755 0.482 -0.333 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.371 0.208 1.123 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.112 -0.838 -1.021 1.00 0.00 C ATOM 0 H LEU A 119 2.684 3.423 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 119 2.470 1.354 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.038 1.764 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.886 0.347 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 119 3.613 1.153 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.212 -0.255 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.115 1.147 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.513 -0.463 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.952 -1.302 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.253 -1.508 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.385 -0.645 -2.058 1.00 0.00 H new ATOM 1063 N ILE A 120 0.035 3.467 -2.229 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.201 4.065 -2.729 1.00 0.00 C ATOM 1065 C ILE A 120 -1.264 5.543 -2.353 1.00 0.00 C ATOM 1066 O ILE A 120 -0.760 5.953 -1.307 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.426 3.354 -2.145 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.293 1.841 -2.357 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.690 3.860 -2.846 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.469 1.119 -1.692 1.00 0.00 C ATOM 0 H ILE A 120 0.357 3.838 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.207 3.959 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.493 3.564 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.271 1.614 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.352 1.487 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.563 3.355 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.786 4.935 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.623 3.651 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.370 0.044 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.471 1.334 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.404 1.464 -2.133 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.892 6.337 -3.216 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.020 7.769 -2.963 1.00 0.00 C ATOM 1084 C LYS A 121 -3.365 8.069 -2.305 1.00 0.00 C ATOM 1085 O LYS A 121 -4.415 7.629 -2.773 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.911 8.559 -4.275 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.498 9.132 -4.416 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.563 10.494 -5.114 1.00 0.00 C ATOM 1089 CE LYS A 121 0.482 11.433 -4.506 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.757 11.398 -5.275 1.00 0.00 N ATOM 0 H LYS A 121 -2.316 6.018 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.213 8.071 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.137 7.910 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.644 9.366 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.038 9.237 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.127 8.448 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.382 10.375 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.559 10.923 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.093 12.451 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.672 11.148 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.492 10.929 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.614 10.872 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.057 12.369 -5.494 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.319 8.825 -1.212 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.539 9.182 -0.492 1.00 0.00 C ATOM 1106 C ILE A 122 -4.836 10.669 -0.656 1.00 0.00 C ATOM 1107 O ILE A 122 -3.927 11.496 -0.710 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.397 8.861 1.000 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.924 7.408 1.180 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.746 9.056 1.700 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.934 6.433 0.559 1.00 0.00 C ATOM 0 H ILE A 122 -2.460 9.199 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.360 8.599 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.661 9.533 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.948 7.276 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.802 7.188 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.642 8.827 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.071 10.090 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.486 8.390 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.583 5.410 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.902 6.553 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.035 6.643 -0.506 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.123 10.997 -0.732 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.536 12.389 -0.890 1.00 0.00 C ATOM 1125 C GLY A 123 -7.296 12.582 -2.197 1.00 0.00 C ATOM 1126 O GLY A 123 -8.063 13.528 -2.279 1.00 0.00 O ATOM 1127 OXT GLY A 123 -7.101 11.783 -3.098 1.00 0.00 O ATOM 0 H GLY A 123 -6.891 10.327 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.166 12.684 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.660 13.037 -0.874 1.00 0.00 H new