USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 89 ASN :FLIP amide:sc= -0.0809! F(o=-9.2,f=-6.1!) USER MOD Set 1.2: A 108 SER OG : rot -47:sc= -6.05! USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= -1.65! (180deg=-4.11!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.97 K(o=-2,f=-6.5!) USER MOD Single : A 69 LYS NZ :NH3+ -106:sc= 0.82 (180deg=-0.482) USER MOD Single : A 80 CYS SG : rot 180:sc=4.86e-05 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 0.177 (180deg=0.142) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 100 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.0026) USER MOD Single : A 106 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.3!) USER MOD Single : A 107 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.0059) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0087 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 115 SER OG : rot -130:sc= -0.988 USER MOD Single : A 117 MET CE :methyl -156:sc= -7.21! (180deg=-9.83!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.082 -11.727 7.454 1.00 0.00 N ATOM 70 CA PRO A 9 -10.766 -11.567 6.859 1.00 0.00 C ATOM 71 C PRO A 9 -9.666 -11.698 7.913 1.00 0.00 C ATOM 72 O PRO A 9 -9.908 -12.212 9.006 1.00 0.00 O ATOM 73 CB PRO A 9 -10.796 -10.199 6.198 1.00 0.00 C ATOM 74 CG PRO A 9 -11.953 -9.451 6.840 1.00 0.00 C ATOM 75 CD PRO A 9 -12.800 -10.464 7.593 1.00 0.00 C ATOM 0 HA PRO A 9 -10.539 -12.343 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.855 -9.670 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.938 -10.289 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.582 -8.683 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.549 -8.944 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.911 -10.186 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.803 -10.531 7.173 1.00 0.00 H new ATOM 80 N LYS A 10 -8.483 -11.226 7.552 1.00 0.00 N ATOM 81 CA LYS A 10 -7.346 -11.284 8.454 1.00 0.00 C ATOM 82 C LYS A 10 -7.070 -9.885 9.010 1.00 0.00 C ATOM 83 O LYS A 10 -6.948 -8.924 8.253 1.00 0.00 O ATOM 84 CB LYS A 10 -6.140 -11.917 7.756 1.00 0.00 C ATOM 85 CG LYS A 10 -4.866 -11.111 8.024 1.00 0.00 C ATOM 86 CD LYS A 10 -3.631 -11.850 7.506 1.00 0.00 C ATOM 87 CE LYS A 10 -3.198 -12.945 8.482 1.00 0.00 C ATOM 88 NZ LYS A 10 -4.063 -14.137 8.339 1.00 0.00 N ATOM 0 H LYS A 10 -8.287 -10.801 6.646 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.567 -11.928 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.008 -12.940 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.323 -11.969 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.940 -10.136 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.764 -10.930 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.848 -12.290 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.814 -11.143 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.159 -13.217 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.250 -12.571 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.483 -14.997 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.778 -14.139 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.536 -14.113 7.413 1.00 0.00 H new ATOM 98 N THR A 11 -6.982 -9.816 10.330 1.00 0.00 N ATOM 99 CA THR A 11 -6.722 -8.552 10.998 1.00 0.00 C ATOM 100 C THR A 11 -5.390 -8.607 11.747 1.00 0.00 C ATOM 101 O THR A 11 -5.133 -9.548 12.496 1.00 0.00 O ATOM 102 CB THR A 11 -7.917 -8.241 11.904 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.051 -8.448 11.066 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.997 -6.761 12.280 1.00 0.00 C ATOM 0 H THR A 11 -7.086 -10.615 10.955 1.00 0.00 H new ATOM 0 HA THR A 11 -6.620 -7.739 10.279 1.00 0.00 H new ATOM 0 HB THR A 11 -7.851 -8.843 12.811 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.870 -8.270 11.574 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.862 -6.595 12.923 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.090 -6.471 12.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.097 -6.161 11.376 1.00 0.00 H new ATOM 112 N VAL A 12 -4.577 -7.584 11.521 1.00 0.00 N ATOM 113 CA VAL A 12 -3.278 -7.504 12.164 1.00 0.00 C ATOM 114 C VAL A 12 -3.025 -6.066 12.619 1.00 0.00 C ATOM 115 O VAL A 12 -3.420 -5.119 11.939 1.00 0.00 O ATOM 116 CB VAL A 12 -2.193 -8.034 11.223 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.010 -9.543 11.391 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.509 -7.678 9.769 1.00 0.00 C ATOM 0 H VAL A 12 -4.794 -6.804 10.901 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.254 -8.134 13.053 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.253 -7.552 11.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.234 -9.893 10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.718 -9.762 12.418 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.947 -10.051 11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.723 -8.066 9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.464 -8.120 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.565 -6.595 9.664 1.00 0.00 H new ATOM 128 N THR A 13 -2.370 -5.946 13.764 1.00 0.00 N ATOM 129 CA THR A 13 -2.061 -4.638 14.316 1.00 0.00 C ATOM 130 C THR A 13 -0.555 -4.380 14.264 1.00 0.00 C ATOM 131 O THR A 13 0.240 -5.320 14.240 1.00 0.00 O ATOM 132 CB THR A 13 -2.640 -4.574 15.731 1.00 0.00 C ATOM 133 OG1 THR A 13 -3.915 -5.199 15.614 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.965 -3.143 16.166 1.00 0.00 C ATOM 0 H THR A 13 -2.045 -6.733 14.325 1.00 0.00 H new ATOM 0 HA THR A 13 -2.516 -3.842 13.726 1.00 0.00 H new ATOM 0 HB THR A 13 -1.932 -5.015 16.433 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.359 -5.202 16.488 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.373 -3.154 17.177 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.056 -2.542 16.148 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.698 -2.713 15.484 1.00 0.00 H new ATOM 142 N LEU A 14 -0.206 -3.101 14.248 1.00 0.00 N ATOM 143 CA LEU A 14 1.192 -2.708 14.198 1.00 0.00 C ATOM 144 C LEU A 14 1.413 -1.509 15.124 1.00 0.00 C ATOM 145 O LEU A 14 0.673 -0.528 15.061 1.00 0.00 O ATOM 146 CB LEU A 14 1.628 -2.458 12.753 1.00 0.00 C ATOM 147 CG LEU A 14 1.587 -3.670 11.822 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.209 -3.818 11.174 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.705 -3.598 10.780 1.00 0.00 C ATOM 0 H LEU A 14 -0.867 -2.325 14.269 1.00 0.00 H new ATOM 0 HA LEU A 14 1.828 -3.515 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.992 -1.679 12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.645 -2.067 12.764 1.00 0.00 H new ATOM 0 HG LEU A 14 1.759 -4.565 12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.207 -4.688 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.546 -3.948 11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.018 -2.924 10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.654 -4.472 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.588 -2.694 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.671 -3.577 11.284 1.00 0.00 H new ATOM 160 N LYS A 15 2.433 -1.628 15.960 1.00 0.00 N ATOM 161 CA LYS A 15 2.759 -0.567 16.897 1.00 0.00 C ATOM 162 C LYS A 15 3.887 0.289 16.318 1.00 0.00 C ATOM 163 O LYS A 15 5.011 -0.184 16.159 1.00 0.00 O ATOM 164 CB LYS A 15 3.076 -1.149 18.277 1.00 0.00 C ATOM 165 CG LYS A 15 1.820 -1.734 18.926 1.00 0.00 C ATOM 166 CD LYS A 15 1.494 -3.110 18.345 1.00 0.00 C ATOM 167 CE LYS A 15 0.010 -3.219 17.990 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.771 -3.673 19.163 1.00 0.00 N ATOM 0 H LYS A 15 3.045 -2.443 16.008 1.00 0.00 H new ATOM 0 HA LYS A 15 1.901 0.090 17.042 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.836 -1.925 18.183 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.492 -0.371 18.917 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.967 -1.815 20.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.978 -1.060 18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.098 -3.285 17.455 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.757 -3.884 19.066 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.361 -2.252 17.651 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.122 -3.918 17.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.776 -3.742 18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.427 -4.606 19.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.659 -2.991 19.940 1.00 0.00 H new ATOM 178 N ARG A 16 3.548 1.535 16.018 1.00 0.00 N ATOM 179 CA ARG A 16 4.517 2.461 15.460 1.00 0.00 C ATOM 180 C ARG A 16 5.868 2.303 16.160 1.00 0.00 C ATOM 181 O ARG A 16 6.002 2.628 17.339 1.00 0.00 O ATOM 182 CB ARG A 16 4.044 3.909 15.605 1.00 0.00 C ATOM 183 CG ARG A 16 5.040 4.879 14.967 1.00 0.00 C ATOM 184 CD ARG A 16 4.326 5.875 14.051 1.00 0.00 C ATOM 185 NE ARG A 16 4.984 7.199 14.134 1.00 0.00 N ATOM 186 CZ ARG A 16 4.969 7.978 15.224 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.331 7.571 16.330 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.593 9.164 15.208 1.00 0.00 N ATOM 0 H ARG A 16 2.615 1.924 16.151 1.00 0.00 H new ATOM 0 HA ARG A 16 4.623 2.229 14.400 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.067 4.025 15.136 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.921 4.151 16.661 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.578 5.418 15.747 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.781 4.321 14.395 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.344 5.514 13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.278 5.961 14.340 1.00 0.00 H new ATOM 0 HE ARG A 16 5.480 7.539 13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.857 6.668 16.342 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.320 8.164 17.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.079 9.473 14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.582 9.757 16.038 1.00 0.00 H new ATOM 264 N GLY A 22 7.638 -1.605 10.400 1.00 0.00 N ATOM 265 CA GLY A 22 8.482 -2.713 9.984 1.00 0.00 C ATOM 266 C GLY A 22 8.327 -2.988 8.487 1.00 0.00 C ATOM 267 O GLY A 22 9.032 -2.402 7.667 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.524 -2.486 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.221 -3.607 10.551 1.00 0.00 H new ATOM 271 N PHE A 23 7.398 -3.880 8.175 1.00 0.00 N ATOM 272 CA PHE A 23 7.141 -4.241 6.791 1.00 0.00 C ATOM 273 C PHE A 23 7.055 -2.995 5.908 1.00 0.00 C ATOM 274 O PHE A 23 7.026 -1.873 6.410 1.00 0.00 O ATOM 275 CB PHE A 23 5.794 -4.967 6.761 1.00 0.00 C ATOM 276 CG PHE A 23 4.584 -4.033 6.751 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.334 -3.233 7.822 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.756 -4.002 5.672 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.208 -2.366 7.813 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.632 -3.135 5.663 1.00 0.00 C ATOM 281 CZ PHE A 23 2.381 -2.335 6.733 1.00 0.00 C ATOM 0 H PHE A 23 6.814 -4.364 8.857 1.00 0.00 H new ATOM 0 HA PHE A 23 7.949 -4.867 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.756 -5.604 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.727 -5.623 7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.991 -3.257 8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.954 -4.638 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.009 -1.731 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.976 -3.111 4.806 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.526 -1.675 6.726 1.00 0.00 H new ATOM 290 N THR A 24 7.016 -3.235 4.605 1.00 0.00 N ATOM 291 CA THR A 24 6.932 -2.146 3.646 1.00 0.00 C ATOM 292 C THR A 24 6.090 -2.563 2.438 1.00 0.00 C ATOM 293 O THR A 24 5.865 -3.750 2.213 1.00 0.00 O ATOM 294 CB THR A 24 8.357 -1.732 3.278 1.00 0.00 C ATOM 295 OG1 THR A 24 8.188 -0.527 2.536 1.00 0.00 O ATOM 296 CG2 THR A 24 9.009 -2.694 2.283 1.00 0.00 C ATOM 0 H THR A 24 7.041 -4.167 4.191 1.00 0.00 H new ATOM 0 HA THR A 24 6.425 -1.280 4.073 1.00 0.00 H new ATOM 0 HB THR A 24 8.964 -1.679 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.065 -0.188 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.019 -2.353 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.052 -3.693 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.421 -2.722 1.366 1.00 0.00 H new ATOM 304 N LEU A 25 5.646 -1.560 1.694 1.00 0.00 N ATOM 305 CA LEU A 25 4.834 -1.807 0.515 1.00 0.00 C ATOM 306 C LEU A 25 5.651 -1.489 -0.739 1.00 0.00 C ATOM 307 O LEU A 25 6.762 -0.971 -0.644 1.00 0.00 O ATOM 308 CB LEU A 25 3.515 -1.033 0.601 1.00 0.00 C ATOM 309 CG LEU A 25 2.695 -1.245 1.875 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.725 -2.713 2.308 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.163 -0.309 2.990 1.00 0.00 C ATOM 0 H LEU A 25 5.833 -0.576 1.885 1.00 0.00 H new ATOM 0 HA LEU A 25 4.558 -2.860 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.734 0.031 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.898 -1.309 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 25 1.657 -0.994 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.135 -2.837 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.307 -3.335 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.755 -3.014 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.564 -0.480 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.212 -0.505 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.048 0.726 2.669 1.00 0.00 H new ATOM 322 N ARG A 26 5.069 -1.816 -1.884 1.00 0.00 N ATOM 323 CA ARG A 26 5.731 -1.573 -3.155 1.00 0.00 C ATOM 324 C ARG A 26 4.904 -0.608 -4.007 1.00 0.00 C ATOM 325 O ARG A 26 3.679 -0.702 -4.046 1.00 0.00 O ATOM 326 CB ARG A 26 5.936 -2.878 -3.927 1.00 0.00 C ATOM 327 CG ARG A 26 7.424 -3.168 -4.129 1.00 0.00 C ATOM 328 CD ARG A 26 7.824 -2.984 -5.595 1.00 0.00 C ATOM 329 NE ARG A 26 8.505 -4.201 -6.089 1.00 0.00 N ATOM 330 CZ ARG A 26 8.859 -4.400 -7.366 1.00 0.00 C ATOM 331 NH1 ARG A 26 8.597 -3.462 -8.286 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.473 -5.535 -7.724 1.00 0.00 N ATOM 0 H ARG A 26 4.147 -2.247 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 26 6.705 -1.133 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.472 -3.702 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.440 -2.814 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.016 -2.503 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.646 -4.187 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.940 -2.781 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.483 -2.122 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 26 8.719 -4.936 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.129 -2.598 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.866 -3.612 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.672 -6.250 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.742 -5.685 -8.697 1.00 0.00 H new ATOM 862 N ILE A 63 -1.730 -2.493 -3.244 1.00 0.00 N ATOM 863 CA ILE A 63 -0.819 -2.463 -2.114 1.00 0.00 C ATOM 864 C ILE A 63 -0.398 -3.893 -1.764 1.00 0.00 C ATOM 865 O ILE A 63 -1.176 -4.645 -1.177 1.00 0.00 O ATOM 866 CB ILE A 63 -1.443 -1.702 -0.941 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.714 -0.244 -1.319 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.575 -1.818 0.313 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.217 0.039 -1.371 1.00 0.00 C ATOM 0 HA ILE A 63 0.088 -1.917 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.404 -2.160 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.241 0.417 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.266 -0.027 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.042 -1.268 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.476 -2.867 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.412 -1.401 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.382 1.082 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.683 -0.607 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.658 -0.156 -0.393 1.00 0.00 H new ATOM 880 N PHE A 64 0.829 -4.222 -2.137 1.00 0.00 N ATOM 881 CA PHE A 64 1.362 -5.547 -1.870 1.00 0.00 C ATOM 882 C PHE A 64 2.639 -5.465 -1.032 1.00 0.00 C ATOM 883 O PHE A 64 3.550 -4.707 -1.356 1.00 0.00 O ATOM 884 CB PHE A 64 1.694 -6.177 -3.225 1.00 0.00 C ATOM 885 CG PHE A 64 0.575 -7.050 -3.796 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.521 -6.470 -4.357 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.675 -8.405 -3.742 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.560 -7.281 -4.887 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.364 -9.215 -4.273 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.459 -8.636 -4.833 1.00 0.00 C ATOM 0 H PHE A 64 1.470 -3.594 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 64 0.633 -6.137 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.921 -5.384 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.596 -6.781 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.601 -5.394 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.544 -8.865 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.430 -6.822 -5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.284 -10.291 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.249 -9.253 -5.235 1.00 0.00 H new ATOM 899 N VAL A 65 2.664 -6.259 0.028 1.00 0.00 N ATOM 900 CA VAL A 65 3.814 -6.286 0.916 1.00 0.00 C ATOM 901 C VAL A 65 5.084 -6.503 0.090 1.00 0.00 C ATOM 902 O VAL A 65 5.055 -7.183 -0.935 1.00 0.00 O ATOM 903 CB VAL A 65 3.616 -7.349 1.998 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.870 -7.491 2.865 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.388 -7.036 2.856 1.00 0.00 C ATOM 0 H VAL A 65 1.906 -6.889 0.292 1.00 0.00 H new ATOM 0 HA VAL A 65 3.920 -5.332 1.433 1.00 0.00 H new ATOM 0 HB VAL A 65 3.443 -8.304 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.702 -8.253 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.714 -7.783 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.088 -6.538 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.270 -7.807 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.518 -6.067 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.500 -7.011 2.225 1.00 0.00 H new ATOM 915 N LYS A 66 6.171 -5.913 0.567 1.00 0.00 N ATOM 916 CA LYS A 66 7.449 -6.033 -0.114 1.00 0.00 C ATOM 917 C LYS A 66 8.446 -6.743 0.804 1.00 0.00 C ATOM 918 O LYS A 66 9.112 -7.689 0.387 1.00 0.00 O ATOM 919 CB LYS A 66 7.927 -4.664 -0.600 1.00 0.00 C ATOM 920 CG LYS A 66 9.425 -4.686 -0.912 1.00 0.00 C ATOM 921 CD LYS A 66 9.932 -3.287 -1.268 1.00 0.00 C ATOM 922 CE LYS A 66 11.237 -3.361 -2.063 1.00 0.00 C ATOM 923 NZ LYS A 66 11.040 -2.837 -3.432 1.00 0.00 N ATOM 0 H LYS A 66 6.193 -5.350 1.417 1.00 0.00 H new ATOM 0 HA LYS A 66 7.348 -6.646 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.370 -4.376 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.721 -3.912 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.974 -5.067 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.618 -5.368 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.177 -2.760 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.090 -2.711 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.012 -2.787 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.584 -4.393 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.935 -2.895 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.315 -3.402 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.730 -1.845 -3.383 1.00 0.00 H new ATOM 933 N GLN A 67 8.516 -6.261 2.036 1.00 0.00 N ATOM 934 CA GLN A 67 9.420 -6.836 3.015 1.00 0.00 C ATOM 935 C GLN A 67 8.765 -6.854 4.397 1.00 0.00 C ATOM 936 O GLN A 67 7.734 -6.219 4.606 1.00 0.00 O ATOM 937 CB GLN A 67 10.749 -6.079 3.048 1.00 0.00 C ATOM 938 CG GLN A 67 10.671 -4.875 3.990 1.00 0.00 C ATOM 939 CD GLN A 67 11.306 -5.197 5.345 1.00 0.00 C ATOM 940 OE1 GLN A 67 11.694 -6.319 5.626 1.00 0.00 O ATOM 941 NE2 GLN A 67 11.389 -4.154 6.165 1.00 0.00 N ATOM 0 H GLN A 67 7.960 -5.477 2.378 1.00 0.00 H new ATOM 0 HA GLN A 67 9.633 -7.864 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.545 -6.749 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.005 -5.743 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.179 -4.023 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.629 -4.586 4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.045 -3.242 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.797 -4.266 7.093 1.00 0.00 H new ATOM 948 N VAL A 68 9.390 -7.591 5.304 1.00 0.00 N ATOM 949 CA VAL A 68 8.881 -7.699 6.661 1.00 0.00 C ATOM 950 C VAL A 68 10.046 -7.605 7.648 1.00 0.00 C ATOM 951 O VAL A 68 10.911 -8.477 7.677 1.00 0.00 O ATOM 952 CB VAL A 68 8.070 -8.988 6.814 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.870 -9.337 8.289 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.728 -8.882 6.088 1.00 0.00 C ATOM 0 H VAL A 68 10.244 -8.119 5.126 1.00 0.00 H new ATOM 0 HA VAL A 68 8.202 -6.875 6.881 1.00 0.00 H new ATOM 0 HB VAL A 68 8.636 -9.797 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.291 -10.257 8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.841 -9.476 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.336 -8.527 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.172 -9.811 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.152 -8.056 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.902 -8.703 5.027 1.00 0.00 H new ATOM 964 N LYS A 69 10.029 -6.537 8.434 1.00 0.00 N ATOM 965 CA LYS A 69 11.072 -6.317 9.419 1.00 0.00 C ATOM 966 C LYS A 69 11.127 -7.513 10.374 1.00 0.00 C ATOM 967 O LYS A 69 10.171 -7.774 11.102 1.00 0.00 O ATOM 968 CB LYS A 69 10.869 -4.976 10.126 1.00 0.00 C ATOM 969 CG LYS A 69 11.340 -5.043 11.579 1.00 0.00 C ATOM 970 CD LYS A 69 12.857 -5.234 11.655 1.00 0.00 C ATOM 971 CE LYS A 69 13.403 -4.754 13.002 1.00 0.00 C ATOM 972 NZ LYS A 69 13.703 -5.907 13.880 1.00 0.00 N ATOM 0 H LYS A 69 9.309 -5.815 8.407 1.00 0.00 H new ATOM 0 HA LYS A 69 12.045 -6.250 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.418 -4.196 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.815 -4.701 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.059 -4.127 12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.840 -5.866 12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.102 -6.287 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.338 -4.683 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.306 -4.164 12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.675 -4.102 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.979 -5.975 14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.704 -6.781 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.637 -5.776 14.318 1.00 0.00 H new ATOM 982 N GLU A 70 12.255 -8.207 10.339 1.00 0.00 N ATOM 983 CA GLU A 70 12.447 -9.367 11.191 1.00 0.00 C ATOM 984 C GLU A 70 12.566 -8.937 12.653 1.00 0.00 C ATOM 985 O GLU A 70 13.658 -8.622 13.126 1.00 0.00 O ATOM 986 CB GLU A 70 13.673 -10.172 10.753 1.00 0.00 C ATOM 987 CG GLU A 70 13.402 -11.675 10.842 1.00 0.00 C ATOM 988 CD GLU A 70 14.629 -12.424 11.371 1.00 0.00 C ATOM 989 OE1 GLU A 70 15.538 -12.672 10.550 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.629 -12.729 12.583 1.00 0.00 O ATOM 0 H GLU A 70 13.046 -7.988 9.733 1.00 0.00 H new ATOM 0 HA GLU A 70 11.575 -10.014 11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.940 -9.907 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.525 -9.915 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.550 -11.856 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.134 -12.059 9.858 1.00 0.00 H new ATOM 995 N GLY A 71 11.429 -8.939 13.332 1.00 0.00 N ATOM 996 CA GLY A 71 11.391 -8.552 14.733 1.00 0.00 C ATOM 997 C GLY A 71 10.627 -7.241 14.920 1.00 0.00 C ATOM 998 O GLY A 71 10.775 -6.572 15.941 1.00 0.00 O ATOM 0 H GLY A 71 10.526 -9.203 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.917 -9.340 15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.407 -8.442 15.111 1.00 0.00 H new ATOM 1002 N GLY A 72 9.827 -6.911 13.917 1.00 0.00 N ATOM 1003 CA GLY A 72 9.038 -5.691 13.958 1.00 0.00 C ATOM 1004 C GLY A 72 7.587 -5.988 14.343 1.00 0.00 C ATOM 1005 O GLY A 72 7.296 -7.035 14.918 1.00 0.00 O ATOM 0 H GLY A 72 9.708 -7.467 13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.473 -4.996 14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.067 -5.202 12.984 1.00 0.00 H new ATOM 1009 N PRO A 73 6.693 -5.023 13.999 1.00 0.00 N ATOM 1010 CA PRO A 73 5.279 -5.170 14.301 1.00 0.00 C ATOM 1011 C PRO A 73 4.617 -6.170 13.352 1.00 0.00 C ATOM 1012 O PRO A 73 4.042 -7.165 13.794 1.00 0.00 O ATOM 1013 CB PRO A 73 4.703 -3.769 14.184 1.00 0.00 C ATOM 1014 CG PRO A 73 5.709 -2.970 13.371 1.00 0.00 C ATOM 1015 CD PRO A 73 7.001 -3.770 13.316 1.00 0.00 C ATOM 0 HA PRO A 73 5.102 -5.576 15.297 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.730 -3.787 13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.555 -3.324 15.168 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.329 -2.788 12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.882 -1.996 13.828 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.313 -3.947 12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.816 -3.240 13.810 1.00 0.00 H new ATOM 1020 N ALA A 74 4.718 -5.872 12.065 1.00 0.00 N ATOM 1021 CA ALA A 74 4.136 -6.734 11.050 1.00 0.00 C ATOM 1022 C ALA A 74 4.579 -8.176 11.295 1.00 0.00 C ATOM 1023 O ALA A 74 3.759 -9.093 11.278 1.00 0.00 O ATOM 1024 CB ALA A 74 4.536 -6.228 9.662 1.00 0.00 C ATOM 0 H ALA A 74 5.194 -5.046 11.702 1.00 0.00 H new ATOM 0 HA ALA A 74 3.048 -6.711 11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.100 -6.874 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.171 -5.210 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.622 -6.240 9.570 1.00 0.00 H new ATOM 1030 N PHE A 75 5.876 -8.333 11.518 1.00 0.00 N ATOM 1031 CA PHE A 75 6.438 -9.650 11.766 1.00 0.00 C ATOM 1032 C PHE A 75 5.690 -10.362 12.896 1.00 0.00 C ATOM 1033 O PHE A 75 5.342 -11.535 12.773 1.00 0.00 O ATOM 1034 CB PHE A 75 7.895 -9.442 12.186 1.00 0.00 C ATOM 1035 CG PHE A 75 8.501 -10.628 12.940 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.593 -11.843 12.335 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.947 -10.468 14.215 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.155 -12.943 13.034 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.509 -11.569 14.913 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.600 -12.782 14.309 1.00 0.00 C ATOM 0 H PHE A 75 6.553 -7.570 11.532 1.00 0.00 H new ATOM 0 HA PHE A 75 6.356 -10.264 10.869 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.494 -9.246 11.297 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.958 -8.554 12.815 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.238 -11.971 11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.874 -9.504 14.696 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.229 -13.907 12.554 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.864 -11.442 15.925 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.026 -13.619 14.842 1.00 0.00 H new ATOM 1049 N GLU A 76 5.465 -9.621 13.972 1.00 0.00 N ATOM 1050 CA GLU A 76 4.767 -10.166 15.123 1.00 0.00 C ATOM 1051 C GLU A 76 3.275 -10.318 14.813 1.00 0.00 C ATOM 1052 O GLU A 76 2.697 -11.380 15.037 1.00 0.00 O ATOM 1053 CB GLU A 76 4.984 -9.294 16.360 1.00 0.00 C ATOM 1054 CG GLU A 76 6.475 -9.060 16.612 1.00 0.00 C ATOM 1055 CD GLU A 76 6.961 -9.870 17.816 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.484 -9.570 18.931 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.799 -10.771 17.595 1.00 0.00 O ATOM 0 H GLU A 76 5.754 -8.648 14.070 1.00 0.00 H new ATOM 0 HA GLU A 76 5.177 -11.152 15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.479 -8.337 16.228 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.535 -9.773 17.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.046 -9.340 15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.656 -7.999 16.786 1.00 0.00 H new ATOM 1062 N ALA A 77 2.697 -9.240 14.306 1.00 0.00 N ATOM 1063 CA ALA A 77 1.283 -9.240 13.965 1.00 0.00 C ATOM 1064 C ALA A 77 0.947 -10.526 13.206 1.00 0.00 C ATOM 1065 O ALA A 77 -0.194 -10.985 13.231 1.00 0.00 O ATOM 1066 CB ALA A 77 0.953 -7.983 13.158 1.00 0.00 C ATOM 0 H ALA A 77 3.180 -8.361 14.123 1.00 0.00 H new ATOM 0 HA ALA A 77 0.670 -9.219 14.866 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.107 -7.983 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.183 -7.098 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.547 -7.971 12.244 1.00 0.00 H new ATOM 1072 N GLY A 78 1.960 -11.070 12.548 1.00 0.00 N ATOM 1073 CA GLY A 78 1.786 -12.293 11.783 1.00 0.00 C ATOM 1074 C GLY A 78 1.703 -11.994 10.284 1.00 0.00 C ATOM 1075 O GLY A 78 1.186 -12.804 9.515 1.00 0.00 O ATOM 0 H GLY A 78 2.905 -10.686 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.618 -12.969 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.879 -12.803 12.107 1.00 0.00 H new ATOM 1079 N LEU A 79 2.221 -10.832 9.915 1.00 0.00 N ATOM 1080 CA LEU A 79 2.211 -10.418 8.522 1.00 0.00 C ATOM 1081 C LEU A 79 3.342 -11.128 7.775 1.00 0.00 C ATOM 1082 O LEU A 79 4.266 -11.655 8.396 1.00 0.00 O ATOM 1083 CB LEU A 79 2.269 -8.892 8.416 1.00 0.00 C ATOM 1084 CG LEU A 79 1.484 -8.269 7.260 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.019 -8.059 7.644 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.144 -6.975 6.784 1.00 0.00 C ATOM 0 H LEU A 79 2.650 -10.164 10.556 1.00 0.00 H new ATOM 0 HA LEU A 79 1.277 -10.713 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.899 -8.469 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.313 -8.594 8.322 1.00 0.00 H new ATOM 0 HG LEU A 79 1.500 -8.965 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.517 -7.615 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.432 -9.019 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.040 -7.393 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.566 -6.553 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.180 -6.261 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.157 -7.187 6.443 1.00 0.00 H new ATOM 1097 N CYS A 80 3.234 -11.121 6.455 1.00 0.00 N ATOM 1098 CA CYS A 80 4.235 -11.759 5.618 1.00 0.00 C ATOM 1099 C CYS A 80 4.288 -11.015 4.282 1.00 0.00 C ATOM 1100 O CYS A 80 3.843 -9.873 4.185 1.00 0.00 O ATOM 1101 CB CYS A 80 3.949 -13.250 5.430 1.00 0.00 C ATOM 1102 SG CYS A 80 5.485 -14.217 5.659 1.00 0.00 S ATOM 0 H CYS A 80 2.468 -10.683 5.944 1.00 0.00 H new ATOM 0 HA CYS A 80 5.209 -11.702 6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.194 -13.577 6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.543 -13.428 4.434 1.00 0.00 H new ATOM 0 HG CYS A 80 5.230 -15.482 5.499 1.00 0.00 H new ATOM 1107 N THR A 81 4.836 -11.693 3.285 1.00 0.00 N ATOM 1108 CA THR A 81 4.954 -11.110 1.959 1.00 0.00 C ATOM 1109 C THR A 81 3.904 -11.707 1.019 1.00 0.00 C ATOM 1110 O THR A 81 3.358 -12.774 1.292 1.00 0.00 O ATOM 1111 CB THR A 81 6.391 -11.320 1.476 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.066 -10.128 1.867 1.00 0.00 O ATOM 1113 CG2 THR A 81 6.501 -11.328 -0.051 1.00 0.00 C ATOM 0 H THR A 81 5.203 -12.641 3.368 1.00 0.00 H new ATOM 0 HA THR A 81 4.756 -10.038 1.979 1.00 0.00 H new ATOM 0 HB THR A 81 6.773 -12.261 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.006 -10.180 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.541 -11.480 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.890 -12.135 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.151 -10.374 -0.446 1.00 0.00 H new ATOM 1121 N GLY A 82 3.655 -10.992 -0.068 1.00 0.00 N ATOM 1122 CA GLY A 82 2.680 -11.436 -1.049 1.00 0.00 C ATOM 1123 C GLY A 82 1.257 -11.086 -0.607 1.00 0.00 C ATOM 1124 O GLY A 82 0.305 -11.272 -1.364 1.00 0.00 O ATOM 0 H GLY A 82 4.112 -10.108 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.890 -10.971 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.766 -12.513 -1.190 1.00 0.00 H new ATOM 1128 N ASP A 83 1.159 -10.584 0.615 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.131 -10.206 1.167 1.00 0.00 C ATOM 1130 C ASP A 83 -0.456 -8.768 0.755 1.00 0.00 C ATOM 1131 O ASP A 83 0.303 -7.847 1.054 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.116 -10.268 2.696 1.00 0.00 C ATOM 1133 CG ASP A 83 0.678 -11.434 3.288 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.631 -12.522 2.674 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.311 -11.212 4.342 1.00 0.00 O ATOM 0 H ASP A 83 1.952 -10.430 1.238 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.878 -10.902 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.298 -9.335 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.144 -10.330 3.052 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.584 -8.622 0.076 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.016 -7.312 -0.380 1.00 0.00 C ATOM 1141 C ARG A 84 -2.969 -6.684 0.640 1.00 0.00 C ATOM 1142 O ARG A 84 -3.689 -7.392 1.341 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.721 -7.406 -1.736 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.800 -8.490 -1.718 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.760 -8.328 -2.899 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.522 -9.580 -3.107 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.401 -9.767 -4.101 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.634 -8.786 -4.983 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -7.046 -10.936 -4.213 1.00 0.00 N ATOM 0 H ARG A 84 -2.211 -9.388 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.129 -6.688 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.170 -6.444 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.991 -7.627 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.333 -9.474 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.357 -8.438 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.446 -7.502 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.201 -8.078 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.368 -10.348 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.142 -7.896 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.303 -8.929 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.868 -11.683 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.715 -11.079 -4.969 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.942 -5.360 0.688 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.793 -4.627 1.611 1.00 0.00 C ATOM 1162 C ILE A 85 -5.118 -4.296 0.920 1.00 0.00 C ATOM 1163 O ILE A 85 -5.139 -3.962 -0.264 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.060 -3.400 2.157 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.613 -3.743 2.517 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.817 -2.793 3.340 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.556 -4.859 3.559 1.00 0.00 C ATOM 0 H ILE A 85 -2.345 -4.776 0.103 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.030 -5.240 2.481 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.026 -2.643 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.075 -4.050 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.110 -2.856 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.276 -1.922 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.813 -2.491 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.902 -3.533 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.516 -5.082 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.074 -4.539 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.038 -5.753 3.162 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.192 -4.398 1.689 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.517 -4.114 1.167 1.00 0.00 C ATOM 1180 C ILE A 86 -8.154 -2.992 1.990 1.00 0.00 C ATOM 1181 O ILE A 86 -8.794 -2.098 1.439 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.357 -5.391 1.113 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.244 -6.178 2.420 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.985 -6.241 -0.103 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.029 -7.489 2.339 1.00 0.00 C ATOM 0 H ILE A 86 -6.171 -4.674 2.671 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.454 -3.759 0.138 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.403 -5.107 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.196 -6.390 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.621 -5.575 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.597 -7.143 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.160 -5.669 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.932 -6.518 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.933 -8.030 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.081 -7.272 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.634 -8.100 1.528 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.958 -3.077 3.298 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.506 -2.080 4.203 1.00 0.00 C ATOM 1198 C LYS A 87 -7.380 -1.505 5.063 1.00 0.00 C ATOM 1199 O LYS A 87 -6.313 -2.105 5.179 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.660 -2.672 5.016 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.752 -3.223 4.098 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.173 -4.629 4.528 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.624 -5.458 3.323 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.482 -6.583 3.761 1.00 0.00 N ATOM 0 H LYS A 87 -7.428 -3.820 3.753 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.934 -1.250 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.285 -3.468 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.080 -1.906 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.616 -2.559 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.390 -3.246 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.340 -5.126 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.984 -4.564 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.171 -4.826 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.753 -5.842 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.780 -7.136 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.948 -7.194 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.322 -6.210 4.248 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.655 -0.347 5.644 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.678 0.317 6.491 1.00 0.00 C ATOM 1216 C VAL A 88 -7.407 1.145 7.552 1.00 0.00 C ATOM 1217 O VAL A 88 -8.149 2.069 7.222 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.724 1.152 5.634 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.916 2.121 6.498 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.801 0.253 4.806 1.00 0.00 C ATOM 0 H VAL A 88 -8.541 0.149 5.545 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.066 -0.417 7.015 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.325 1.743 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.246 2.702 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.595 2.794 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.330 1.558 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.133 0.871 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.212 -0.376 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.400 -0.377 4.149 1.00 0.00 H new ATOM 1230 N ASN A 89 -7.169 0.783 8.805 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.794 1.481 9.915 1.00 0.00 C ATOM 1232 C ASN A 89 -9.293 1.622 9.647 1.00 0.00 C ATOM 1233 O ASN A 89 -9.929 2.559 10.127 1.00 0.00 O ATOM 1234 CB ASN A 89 -7.209 2.885 10.082 1.00 0.00 C ATOM 1235 CG ASN A 89 -6.084 2.891 11.118 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.094 3.734 10.837 1.00 0.00 O flip ATOM 1237 ND2 ASN A 89 -6.111 2.175 12.108 1.00 0.00 N flip ATOM 0 H ASN A 89 -6.553 0.016 9.075 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.611 0.903 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.828 3.240 9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.994 3.576 10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.902 1.550 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.343 2.202 12.778 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.816 0.677 8.877 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.227 0.685 8.537 1.00 0.00 C ATOM 1245 C GLY A 90 -11.578 1.898 7.675 1.00 0.00 C ATOM 1246 O GLY A 90 -12.680 2.435 7.769 1.00 0.00 O ATOM 0 H GLY A 90 -9.286 -0.099 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.481 -0.231 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.824 0.698 9.449 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.618 2.295 6.852 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.811 3.436 5.973 1.00 0.00 C ATOM 1252 C GLU A 91 -10.956 2.969 4.523 1.00 0.00 C ATOM 1253 O GLU A 91 -11.261 3.768 3.637 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.664 4.438 6.113 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.194 5.834 6.447 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.046 6.385 5.301 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.993 5.672 4.905 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -10.732 7.508 4.849 1.00 0.00 O ATOM 0 H GLU A 91 -9.705 1.847 6.775 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.730 3.944 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.981 4.107 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.093 4.474 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.788 5.793 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.359 6.507 6.641 1.00 0.00 H new ATOM 1263 N SER A 92 -10.734 1.679 4.324 1.00 0.00 N ATOM 1264 CA SER A 92 -10.834 1.097 2.996 1.00 0.00 C ATOM 1265 C SER A 92 -9.794 1.725 2.069 1.00 0.00 C ATOM 1266 O SER A 92 -9.497 2.915 2.178 1.00 0.00 O ATOM 1267 CB SER A 92 -12.240 1.281 2.421 1.00 0.00 C ATOM 1268 OG SER A 92 -13.250 1.104 3.410 1.00 0.00 O ATOM 0 H SER A 92 -10.485 1.019 5.061 1.00 0.00 H new ATOM 0 HA SER A 92 -10.639 0.027 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.327 2.278 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.397 0.568 1.612 1.00 0.00 H new ATOM 0 HG SER A 92 -14.132 1.231 3.003 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.268 0.899 1.177 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.266 1.359 0.229 1.00 0.00 C ATOM 1275 C VAL A 93 -8.931 1.619 -1.124 1.00 0.00 C ATOM 1276 O VAL A 93 -8.436 2.415 -1.920 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.120 0.349 0.148 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.582 0.017 1.541 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.558 -0.919 -0.588 1.00 0.00 C ATOM 0 H VAL A 93 -9.516 -0.086 1.090 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.829 2.300 0.562 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.311 0.805 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.768 -0.703 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.213 0.927 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.381 -0.409 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.725 -1.620 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.392 -1.378 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.870 -0.663 -1.600 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.044 0.933 -1.343 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.782 1.080 -2.586 1.00 0.00 C ATOM 1291 C ILE A 94 -11.043 2.565 -2.846 1.00 0.00 C ATOM 1292 O ILE A 94 -11.648 3.246 -2.018 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.051 0.227 -2.559 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.709 -1.263 -2.485 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.953 0.549 -3.752 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.840 -1.785 -1.054 1.00 0.00 C ATOM 0 H ILE A 94 -10.452 0.274 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.194 0.708 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.610 0.474 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.372 -1.825 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.692 -1.425 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.848 -0.071 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.238 1.601 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.416 0.347 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.591 -2.846 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.158 -1.238 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -12.864 -1.644 -0.708 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.575 3.023 -3.997 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.753 4.415 -4.376 1.00 0.00 C ATOM 1309 C GLY A 95 -9.481 5.222 -4.108 1.00 0.00 C ATOM 1310 O GLY A 95 -9.262 6.266 -4.722 1.00 0.00 O ATOM 0 H GLY A 95 -10.073 2.456 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.012 4.478 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.585 4.844 -3.818 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.673 4.708 -3.192 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.429 5.367 -2.836 1.00 0.00 C ATOM 1316 C LYS A 96 -6.357 5.018 -3.870 1.00 0.00 C ATOM 1317 O LYS A 96 -6.454 3.996 -4.549 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.033 5.022 -1.399 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.118 5.456 -0.411 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.584 5.462 1.022 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.335 6.481 1.883 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.673 5.965 2.248 1.00 0.00 N ATOM 0 H LYS A 96 -8.856 3.842 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.552 6.450 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.866 3.948 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.092 5.513 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.477 6.451 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.971 4.781 -0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.687 4.468 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.520 5.699 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.763 6.695 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.437 7.420 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.115 6.604 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.268 5.911 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.578 5.017 2.664 1.00 0.00 H new ATOM 1332 N THR A 97 -5.359 5.886 -3.957 1.00 0.00 N ATOM 1333 CA THR A 97 -4.271 5.681 -4.897 1.00 0.00 C ATOM 1334 C THR A 97 -2.957 5.451 -4.149 1.00 0.00 C ATOM 1335 O THR A 97 -2.017 6.235 -4.281 1.00 0.00 O ATOM 1336 CB THR A 97 -4.230 6.883 -5.843 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.322 6.490 -6.867 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.567 8.107 -5.205 1.00 0.00 C ATOM 0 H THR A 97 -5.282 6.732 -3.392 1.00 0.00 H new ATOM 0 HA THR A 97 -4.429 4.784 -5.496 1.00 0.00 H new ATOM 0 HB THR A 97 -5.244 7.138 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.238 7.212 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.563 8.932 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.123 8.399 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.542 7.862 -4.928 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.930 4.374 -3.380 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.746 4.031 -2.610 1.00 0.00 C ATOM 1348 C TYR A 98 -1.326 5.191 -1.705 1.00 0.00 C ATOM 1349 O TYR A 98 -1.672 5.219 -0.525 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.639 3.771 -3.634 1.00 0.00 C ATOM 1351 CG TYR A 98 0.766 3.712 -3.029 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.066 2.764 -2.073 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.731 4.608 -3.441 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.388 2.709 -1.504 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.053 4.554 -2.873 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.316 3.607 -1.932 1.00 0.00 C ATOM 1357 OH TYR A 98 4.564 3.556 -1.395 1.00 0.00 O ATOM 0 H TYR A 98 -3.710 3.726 -3.273 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.938 3.167 -1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.844 2.830 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.666 4.556 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.310 2.063 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.495 5.350 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.637 1.972 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.818 5.249 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 98 5.121 4.256 -1.795 1.00 0.00 H new ATOM 1366 N SER A 99 -0.587 6.120 -2.293 1.00 0.00 N ATOM 1367 CA SER A 99 -0.116 7.280 -1.556 1.00 0.00 C ATOM 1368 C SER A 99 -1.173 7.719 -0.542 1.00 0.00 C ATOM 1369 O SER A 99 -0.840 8.189 0.546 1.00 0.00 O ATOM 1370 CB SER A 99 0.226 8.433 -2.500 1.00 0.00 C ATOM 1371 OG SER A 99 0.044 8.075 -3.868 1.00 0.00 O ATOM 0 H SER A 99 -0.303 6.093 -3.272 1.00 0.00 H new ATOM 0 HA SER A 99 0.794 7.001 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.401 9.293 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.260 8.738 -2.340 1.00 0.00 H new ATOM 0 HG SER A 99 0.271 8.838 -4.439 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.428 7.554 -0.934 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.538 7.929 -0.074 1.00 0.00 C ATOM 1378 C GLN A 100 -3.537 7.073 1.195 1.00 0.00 C ATOM 1379 O GLN A 100 -3.486 7.601 2.304 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.871 7.812 -0.814 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.220 9.121 -1.525 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.736 9.285 -1.660 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.459 9.426 -0.687 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.173 9.257 -2.915 1.00 0.00 N ATOM 0 H GLN A 100 -2.701 7.165 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.413 8.973 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.817 7.002 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.661 7.555 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.808 9.962 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.760 9.136 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.512 9.136 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.169 9.357 -3.111 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.597 5.766 0.989 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.606 4.832 2.101 1.00 0.00 C ATOM 1393 C VAL A 101 -2.289 4.952 2.871 1.00 0.00 C ATOM 1394 O VAL A 101 -2.252 4.744 4.083 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.874 3.414 1.593 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.325 3.264 1.130 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.901 3.039 0.474 1.00 0.00 C ATOM 0 H VAL A 101 -3.640 5.331 0.067 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.412 5.071 2.794 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.713 2.725 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.490 2.247 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.996 3.470 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.524 3.968 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.114 2.026 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.016 3.735 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.879 3.088 0.849 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.238 5.285 2.136 1.00 0.00 N ATOM 1408 CA ILE A 102 0.077 5.435 2.733 1.00 0.00 C ATOM 1409 C ILE A 102 -0.002 6.437 3.887 1.00 0.00 C ATOM 1410 O ILE A 102 0.469 6.159 4.989 1.00 0.00 O ATOM 1411 CB ILE A 102 1.112 5.805 1.669 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.467 4.593 0.805 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.351 6.440 2.304 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.257 3.559 1.609 1.00 0.00 C ATOM 0 H ILE A 102 -1.271 5.455 1.131 1.00 0.00 H new ATOM 0 HA ILE A 102 0.412 4.487 3.154 1.00 0.00 H new ATOM 0 HB ILE A 102 0.671 6.553 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.555 4.138 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.053 4.915 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.070 6.693 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.062 7.345 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.804 5.735 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.496 2.708 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.180 4.010 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.658 3.221 2.455 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.601 7.582 3.594 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.748 8.627 4.593 1.00 0.00 C ATOM 1427 C ALA A 103 -1.478 8.060 5.812 1.00 0.00 C ATOM 1428 O ALA A 103 -1.076 8.304 6.948 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.480 9.822 3.979 1.00 0.00 C ATOM 0 H ALA A 103 -0.990 7.809 2.679 1.00 0.00 H new ATOM 0 HA ALA A 103 0.228 8.980 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.590 10.606 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.907 10.205 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.465 9.508 3.635 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.538 7.317 5.535 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.329 6.715 6.596 1.00 0.00 C ATOM 1437 C LEU A 104 -2.404 5.937 7.535 1.00 0.00 C ATOM 1438 O LEU A 104 -2.550 6.009 8.754 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.460 5.870 6.006 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.569 6.640 5.286 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.696 5.701 4.852 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.084 7.794 6.149 1.00 0.00 C ATOM 0 H LEU A 104 -2.869 7.117 4.591 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.817 7.485 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.026 5.157 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.912 5.290 6.811 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.149 7.078 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.471 6.274 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.299 4.945 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.122 5.214 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.871 8.325 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.483 7.400 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.265 8.481 6.365 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.474 5.211 6.931 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.527 4.420 7.698 1.00 0.00 C ATOM 1455 C ILE A 105 0.398 5.358 8.478 1.00 0.00 C ATOM 1456 O ILE A 105 0.653 5.140 9.662 1.00 0.00 O ATOM 1457 CB ILE A 105 0.215 3.442 6.788 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.716 2.326 6.308 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.463 2.888 7.479 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.249 1.762 4.964 1.00 0.00 C ATOM 0 H ILE A 105 -1.356 5.154 5.919 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.049 3.804 8.430 1.00 0.00 H new ATOM 0 HB ILE A 105 0.550 3.985 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.746 1.528 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.731 2.711 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.972 2.195 6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.134 3.709 7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.173 2.365 8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.928 0.971 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.243 2.557 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.757 1.356 5.070 1.00 0.00 H new ATOM 1471 N GLN A 106 0.875 6.380 7.783 1.00 0.00 N ATOM 1472 CA GLN A 106 1.766 7.350 8.395 1.00 0.00 C ATOM 1473 C GLN A 106 1.036 8.121 9.496 1.00 0.00 C ATOM 1474 O GLN A 106 1.650 8.552 10.470 1.00 0.00 O ATOM 1475 CB GLN A 106 2.341 8.305 7.348 1.00 0.00 C ATOM 1476 CG GLN A 106 3.261 7.563 6.377 1.00 0.00 C ATOM 1477 CD GLN A 106 4.599 8.289 6.225 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.995 9.093 7.051 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.271 7.962 5.124 1.00 0.00 N ATOM 0 H GLN A 106 0.661 6.557 6.802 1.00 0.00 H new ATOM 0 HA GLN A 106 2.600 6.812 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.528 8.777 6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.896 9.102 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.433 6.548 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.777 7.479 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.882 7.280 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.175 8.393 4.931 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.268 8.272 9.305 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.088 8.983 10.270 1.00 0.00 C ATOM 1488 C ASN A 107 -2.067 8.004 10.921 1.00 0.00 C ATOM 1489 O ASN A 107 -3.152 8.397 11.347 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.904 10.086 9.592 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.068 11.357 9.417 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.678 12.009 10.371 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -0.819 11.668 8.149 1.00 0.00 N ATOM 0 H ASN A 107 -0.775 7.914 8.496 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.426 9.428 11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.254 9.739 8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.789 10.308 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.270 12.498 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.177 11.077 7.399 1.00 0.00 H new ATOM 1499 N SER A 108 -1.648 6.748 10.977 1.00 0.00 N ATOM 1500 CA SER A 108 -2.474 5.710 11.568 1.00 0.00 C ATOM 1501 C SER A 108 -2.421 5.803 13.095 1.00 0.00 C ATOM 1502 O SER A 108 -3.057 5.014 13.791 1.00 0.00 O ATOM 1503 CB SER A 108 -2.029 4.321 11.106 1.00 0.00 C ATOM 1504 OG SER A 108 -2.699 3.913 9.916 1.00 0.00 O ATOM 0 H SER A 108 -0.747 6.426 10.623 1.00 0.00 H new ATOM 0 HA SER A 108 -3.501 5.862 11.236 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.953 4.324 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.222 3.597 11.897 1.00 0.00 H new ATOM 0 HG SER A 108 -3.660 4.085 10.006 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.657 6.777 13.569 1.00 0.00 N ATOM 1510 CA ASP A 109 -1.512 6.984 15.000 1.00 0.00 C ATOM 1511 C ASP A 109 -0.424 6.051 15.539 1.00 0.00 C ATOM 1512 O ASP A 109 0.210 5.326 14.774 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.815 6.667 15.737 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.981 7.371 17.086 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -3.144 8.610 17.062 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.943 6.654 18.108 1.00 0.00 O ATOM 0 H ASP A 109 -1.132 7.431 12.988 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.250 8.029 15.165 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.653 6.940 15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.872 5.590 15.896 1.00 0.00 H new ATOM 1520 N THR A 110 -0.246 6.099 16.850 1.00 0.00 N ATOM 1521 CA THR A 110 0.752 5.267 17.500 1.00 0.00 C ATOM 1522 C THR A 110 0.754 3.863 16.892 1.00 0.00 C ATOM 1523 O THR A 110 1.809 3.245 16.754 1.00 0.00 O ATOM 1524 CB THR A 110 0.470 5.277 19.004 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.553 6.653 19.364 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.585 4.612 19.814 1.00 0.00 C ATOM 0 H THR A 110 -0.776 6.701 17.480 1.00 0.00 H new ATOM 0 HA THR A 110 1.757 5.658 17.341 1.00 0.00 H new ATOM 0 HB THR A 110 -0.474 4.767 19.199 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.381 6.751 20.324 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.335 4.646 20.874 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.693 3.574 19.500 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.523 5.142 19.645 1.00 0.00 H new ATOM 1534 N THR A 111 -0.438 3.402 16.545 1.00 0.00 N ATOM 1535 CA THR A 111 -0.586 2.082 15.954 1.00 0.00 C ATOM 1536 C THR A 111 -1.124 2.195 14.526 1.00 0.00 C ATOM 1537 O THR A 111 -1.411 3.292 14.052 1.00 0.00 O ATOM 1538 CB THR A 111 -1.479 1.249 16.876 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.072 2.211 17.746 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.674 0.346 17.812 1.00 0.00 C ATOM 0 H THR A 111 -1.310 3.918 16.661 1.00 0.00 H new ATOM 0 HA THR A 111 0.376 1.577 15.866 1.00 0.00 H new ATOM 0 HB THR A 111 -2.153 0.639 16.275 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.669 1.757 18.377 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.356 -0.223 18.444 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.068 -0.341 17.222 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.024 0.958 18.438 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.245 1.043 13.881 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.744 0.998 12.517 1.00 0.00 C ATOM 1550 C LEU A 112 -2.323 -0.390 12.237 1.00 0.00 C ATOM 1551 O LEU A 112 -1.586 -1.373 12.176 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.650 1.419 11.533 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.942 1.156 10.055 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.295 -0.152 9.592 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.446 1.180 9.779 1.00 0.00 C ATOM 0 H LEU A 112 -1.006 0.134 14.278 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.554 1.715 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.463 2.485 11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.270 0.900 11.799 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.495 1.961 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.518 -0.315 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.785 -0.092 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.690 -0.981 10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.625 0.990 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.937 0.410 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.849 2.157 10.046 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.636 -0.425 12.071 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.323 -1.676 11.797 1.00 0.00 C ATOM 1568 C GLU A 113 -4.408 -1.916 10.289 1.00 0.00 C ATOM 1569 O GLU A 113 -4.848 -1.043 9.541 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.715 -1.690 12.434 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.250 -3.118 12.551 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.655 -3.128 13.155 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.555 -2.543 12.513 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -7.799 -3.719 14.247 1.00 0.00 O ATOM 0 H GLU A 113 -4.243 0.393 12.121 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.748 -2.488 12.243 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.671 -1.232 13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.399 -1.089 11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.270 -3.585 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.579 -3.712 13.172 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.980 -3.104 9.885 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.004 -3.470 8.479 1.00 0.00 C ATOM 1581 C LEU A 114 -5.101 -4.510 8.244 1.00 0.00 C ATOM 1582 O LEU A 114 -5.699 -5.011 9.195 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.616 -3.925 8.022 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.529 -2.849 8.004 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.135 -3.478 8.051 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.699 -1.919 6.800 1.00 0.00 C ATOM 0 H LEU A 114 -3.615 -3.825 10.507 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.250 -2.604 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.288 -4.734 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.704 -4.341 7.018 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.637 -2.238 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.620 -2.692 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.031 -4.065 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.001 -4.127 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.914 -1.163 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.632 -2.499 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.673 -1.432 6.851 1.00 0.00 H new ATOM 1597 N SER A 115 -5.332 -4.803 6.973 1.00 0.00 N ATOM 1598 CA SER A 115 -6.346 -5.774 6.602 1.00 0.00 C ATOM 1599 C SER A 115 -5.951 -6.472 5.299 1.00 0.00 C ATOM 1600 O SER A 115 -5.834 -5.829 4.256 1.00 0.00 O ATOM 1601 CB SER A 115 -7.717 -5.109 6.454 1.00 0.00 C ATOM 1602 OG SER A 115 -7.826 -3.929 7.243 1.00 0.00 O ATOM 0 H SER A 115 -4.834 -4.385 6.187 1.00 0.00 H new ATOM 0 HA SER A 115 -6.416 -6.516 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.889 -4.862 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.495 -5.814 6.747 1.00 0.00 H new ATOM 0 HG SER A 115 -8.652 -3.963 7.769 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.756 -7.778 5.402 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.376 -8.571 4.244 1.00 0.00 C ATOM 1609 C VAL A 116 -6.284 -9.798 4.151 1.00 0.00 C ATOM 1610 O VAL A 116 -7.104 -10.038 5.037 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.890 -8.930 4.321 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -3.019 -7.673 4.283 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.593 -9.767 5.565 1.00 0.00 C ATOM 0 H VAL A 116 -5.854 -8.307 6.268 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.511 -7.997 3.327 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.645 -9.532 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.968 -7.957 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.200 -7.133 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.268 -7.032 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.531 -10.009 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.863 -9.201 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.174 -10.689 5.531 1.00 0.00 H new ATOM 1623 N MET A 117 -6.108 -10.545 3.071 1.00 0.00 N ATOM 1624 CA MET A 117 -6.902 -11.743 2.850 1.00 0.00 C ATOM 1625 C MET A 117 -6.054 -12.858 2.237 1.00 0.00 C ATOM 1626 O MET A 117 -6.447 -13.468 1.245 1.00 0.00 O ATOM 1627 CB MET A 117 -8.070 -11.417 1.917 1.00 0.00 C ATOM 1628 CG MET A 117 -7.641 -10.435 0.825 1.00 0.00 C ATOM 1629 SD MET A 117 -6.636 -11.272 -0.390 1.00 0.00 S ATOM 1630 CE MET A 117 -5.011 -10.787 0.165 1.00 0.00 C ATOM 0 H MET A 117 -5.427 -10.344 2.339 1.00 0.00 H new ATOM 0 HA MET A 117 -7.280 -12.088 3.812 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.443 -12.334 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.892 -10.991 2.492 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.520 -10.004 0.347 1.00 0.00 H new ATOM 0 HG3 MET A 117 -7.081 -9.610 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 117 -4.310 -10.843 -0.668 1.00 0.00 H new ATOM 0 HE2 MET A 117 -5.045 -9.765 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 117 -4.683 -11.457 0.960 1.00 0.00 H new ATOM 1638 N PRO A 118 -4.873 -13.096 2.869 1.00 0.00 N ATOM 1639 CA PRO A 118 -3.966 -14.127 2.397 1.00 0.00 C ATOM 1640 C PRO A 118 -4.482 -15.521 2.760 1.00 0.00 C ATOM 1641 O PRO A 118 -5.309 -15.666 3.658 1.00 0.00 O ATOM 1642 CB PRO A 118 -2.629 -13.802 3.043 1.00 0.00 C ATOM 1643 CG PRO A 118 -2.944 -12.883 4.213 1.00 0.00 C ATOM 1644 CD PRO A 118 -4.374 -12.393 4.047 1.00 0.00 C ATOM 0 HA PRO A 118 -3.875 -14.141 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.128 -14.709 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.960 -13.315 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.830 -13.414 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.252 -12.041 4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.975 -12.620 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.409 -11.313 3.907 1.00 0.00 H new ATOM 1649 N LYS A 119 -3.970 -16.511 2.043 1.00 0.00 N ATOM 1650 CA LYS A 119 -4.370 -17.889 2.279 1.00 0.00 C ATOM 1651 C LYS A 119 -3.130 -18.785 2.258 1.00 0.00 C ATOM 1652 O LYS A 119 -3.199 -19.935 1.828 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.452 -18.311 1.282 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.849 -18.060 1.850 1.00 0.00 C ATOM 1655 CD LYS A 119 -7.620 -19.372 2.014 1.00 0.00 C ATOM 1656 CE LYS A 119 -9.066 -19.220 1.542 1.00 0.00 C ATOM 1657 NZ LYS A 119 -9.981 -19.975 2.427 1.00 0.00 N ATOM 0 H LYS A 119 -3.283 -16.387 1.300 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.822 -17.992 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.329 -17.758 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.338 -19.368 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.768 -17.559 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.399 -17.391 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.129 -20.160 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.605 -19.678 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.344 -18.166 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.161 -19.581 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.959 -19.862 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.725 -20.983 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.903 -19.612 3.398 1.00 0.00 H new