USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 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 9 SER OG : rot 85:sc= 1.22 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 3:sc= 0.418 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0107 USER MOD ----------------------------------------------------------------- ATOM 82 N GLU A 6 9.275 -20.659 -7.972 1.00 0.00 N ATOM 83 CA GLU A 6 10.348 -20.596 -6.980 1.00 0.00 C ATOM 84 C GLU A 6 11.257 -19.414 -7.316 1.00 0.00 C ATOM 85 O GLU A 6 11.297 -18.955 -8.459 1.00 0.00 O ATOM 86 CB GLU A 6 11.098 -21.941 -6.993 1.00 0.00 C ATOM 87 CG GLU A 6 12.127 -22.093 -5.863 1.00 0.00 C ATOM 88 CD GLU A 6 12.694 -23.526 -5.799 1.00 0.00 C ATOM 89 OE1 GLU A 6 13.659 -23.833 -6.531 1.00 0.00 O ATOM 90 OE2 GLU A 6 12.185 -24.345 -5.003 1.00 0.00 O ATOM 0 HA GLU A 6 9.961 -20.437 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.372 -22.751 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.606 -22.053 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.942 -21.385 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.661 -21.843 -4.910 1.00 0.00 H new ATOM 97 N VAL A 7 11.968 -18.902 -6.314 1.00 0.00 N ATOM 98 CA VAL A 7 12.883 -17.775 -6.441 1.00 0.00 C ATOM 99 C VAL A 7 13.863 -17.998 -7.593 1.00 0.00 C ATOM 100 O VAL A 7 14.437 -19.073 -7.759 1.00 0.00 O ATOM 101 CB VAL A 7 13.566 -17.495 -5.084 1.00 0.00 C ATOM 102 CG1 VAL A 7 12.498 -17.147 -4.035 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.412 -18.654 -4.543 1.00 0.00 C ATOM 0 H VAL A 7 11.921 -19.272 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 7 12.327 -16.874 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 7 14.249 -16.666 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.979 -16.949 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.949 -16.261 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.807 -17.983 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.853 -18.368 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.780 -19.531 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.205 -18.888 -5.253 1.00 0.00 H new ATOM 113 N GLY A 8 14.024 -16.958 -8.409 1.00 0.00 N ATOM 114 CA GLY A 8 14.911 -16.946 -9.561 1.00 0.00 C ATOM 115 C GLY A 8 14.203 -17.327 -10.863 1.00 0.00 C ATOM 116 O GLY A 8 14.745 -17.042 -11.934 1.00 0.00 O ATOM 0 H GLY A 8 13.525 -16.078 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.346 -15.952 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.735 -17.638 -9.386 1.00 0.00 H new ATOM 120 N SER A 9 13.011 -17.929 -10.801 1.00 0.00 N ATOM 121 CA SER A 9 12.200 -18.197 -11.986 1.00 0.00 C ATOM 122 C SER A 9 11.790 -16.877 -12.646 1.00 0.00 C ATOM 123 O SER A 9 11.678 -15.853 -11.967 1.00 0.00 O ATOM 124 CB SER A 9 10.950 -19.005 -11.615 1.00 0.00 C ATOM 125 OG SER A 9 11.269 -20.141 -10.837 1.00 0.00 O ATOM 0 H SER A 9 12.585 -18.242 -9.929 1.00 0.00 H new ATOM 0 HA SER A 9 12.795 -18.782 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.258 -18.370 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.438 -19.320 -12.524 1.00 0.00 H new ATOM 0 HG SER A 9 11.326 -19.885 -9.893 1.00 0.00 H new ATOM 131 N VAL A 10 11.486 -16.907 -13.942 1.00 0.00 N ATOM 132 CA VAL A 10 10.935 -15.766 -14.670 1.00 0.00 C ATOM 133 C VAL A 10 9.593 -16.222 -15.241 1.00 0.00 C ATOM 134 O VAL A 10 9.456 -17.355 -15.709 1.00 0.00 O ATOM 135 CB VAL A 10 11.929 -15.258 -15.741 1.00 0.00 C ATOM 136 CG1 VAL A 10 11.416 -13.987 -16.433 1.00 0.00 C ATOM 137 CG2 VAL A 10 13.304 -14.926 -15.138 1.00 0.00 C ATOM 0 H VAL A 10 11.617 -17.735 -14.523 1.00 0.00 H new ATOM 0 HA VAL A 10 10.773 -14.906 -14.020 1.00 0.00 H new ATOM 0 HB VAL A 10 12.023 -16.071 -16.461 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.141 -13.661 -17.178 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.464 -14.197 -16.921 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.278 -13.200 -15.692 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.971 -14.573 -15.925 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.192 -14.149 -14.382 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.726 -15.820 -14.679 1.00 0.00 H new ATOM 147 N TYR A 11 8.600 -15.346 -15.154 1.00 0.00 N ATOM 148 CA TYR A 11 7.206 -15.595 -15.508 1.00 0.00 C ATOM 149 C TYR A 11 6.624 -14.313 -16.116 1.00 0.00 C ATOM 150 O TYR A 11 7.329 -13.314 -16.278 1.00 0.00 O ATOM 151 CB TYR A 11 6.465 -16.009 -14.229 1.00 0.00 C ATOM 152 CG TYR A 11 5.179 -16.825 -14.334 1.00 0.00 C ATOM 153 CD1 TYR A 11 4.684 -17.326 -15.560 1.00 0.00 C ATOM 154 CD2 TYR A 11 4.498 -17.121 -13.137 1.00 0.00 C ATOM 155 CE1 TYR A 11 3.504 -18.096 -15.587 1.00 0.00 C ATOM 156 CE2 TYR A 11 3.323 -17.895 -13.157 1.00 0.00 C ATOM 157 CZ TYR A 11 2.820 -18.386 -14.384 1.00 0.00 C ATOM 158 OH TYR A 11 1.703 -19.166 -14.389 1.00 0.00 O ATOM 0 H TYR A 11 8.751 -14.395 -14.818 1.00 0.00 H new ATOM 0 HA TYR A 11 7.105 -16.393 -16.244 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.164 -16.579 -13.617 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.229 -15.098 -13.679 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.212 -17.118 -16.479 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.880 -16.751 -12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.122 -18.465 -16.527 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.805 -18.114 -12.235 1.00 0.00 H new ATOM 0 HH TYR A 11 1.366 -19.260 -13.474 1.00 0.00 H new ATOM 168 N THR A 12 5.333 -14.321 -16.425 1.00 0.00 N ATOM 169 CA THR A 12 4.620 -13.195 -17.012 1.00 0.00 C ATOM 170 C THR A 12 3.246 -13.143 -16.344 1.00 0.00 C ATOM 171 O THR A 12 2.640 -14.191 -16.111 1.00 0.00 O ATOM 172 CB THR A 12 4.513 -13.397 -18.536 1.00 0.00 C ATOM 173 OG1 THR A 12 5.771 -13.710 -19.112 1.00 0.00 O ATOM 174 CG2 THR A 12 3.992 -12.148 -19.247 1.00 0.00 C ATOM 0 H THR A 12 4.737 -15.134 -16.269 1.00 0.00 H new ATOM 0 HA THR A 12 5.140 -12.250 -16.850 1.00 0.00 H new ATOM 0 HB THR A 12 3.814 -14.223 -18.670 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.667 -13.833 -20.079 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.933 -12.337 -20.319 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.001 -11.900 -18.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.670 -11.315 -19.062 1.00 0.00 H new ATOM 182 N GLY A 13 2.766 -11.944 -16.023 1.00 0.00 N ATOM 183 CA GLY A 13 1.517 -11.740 -15.305 1.00 0.00 C ATOM 184 C GLY A 13 0.861 -10.423 -15.682 1.00 0.00 C ATOM 185 O GLY A 13 1.378 -9.680 -16.515 1.00 0.00 O ATOM 0 H GLY A 13 3.244 -11.075 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.834 -12.562 -15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.707 -11.758 -14.232 1.00 0.00 H new ATOM 189 N LYS A 14 -0.282 -10.135 -15.065 1.00 0.00 N ATOM 190 CA LYS A 14 -1.135 -8.994 -15.380 1.00 0.00 C ATOM 191 C LYS A 14 -1.248 -8.169 -14.110 1.00 0.00 C ATOM 192 O LYS A 14 -1.640 -8.696 -13.069 1.00 0.00 O ATOM 193 CB LYS A 14 -2.479 -9.512 -15.917 1.00 0.00 C ATOM 194 CG LYS A 14 -3.283 -8.500 -16.752 1.00 0.00 C ATOM 195 CD LYS A 14 -3.863 -7.287 -16.005 1.00 0.00 C ATOM 196 CE LYS A 14 -4.725 -7.628 -14.775 1.00 0.00 C ATOM 197 NZ LYS A 14 -5.992 -8.316 -15.124 1.00 0.00 N ATOM 0 H LYS A 14 -0.652 -10.709 -14.307 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.730 -8.353 -16.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.292 -10.396 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.091 -9.831 -15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.639 -8.131 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.107 -9.031 -17.228 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.039 -6.648 -15.686 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.466 -6.705 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.149 -8.261 -14.100 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.954 -6.710 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.527 -8.519 -14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.559 -7.705 -15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.779 -9.207 -15.616 1.00 0.00 H new ATOM 211 N VAL A 15 -0.858 -6.905 -14.168 1.00 0.00 N ATOM 212 CA VAL A 15 -0.813 -6.019 -13.012 1.00 0.00 C ATOM 213 C VAL A 15 -2.241 -5.784 -12.525 1.00 0.00 C ATOM 214 O VAL A 15 -3.092 -5.332 -13.294 1.00 0.00 O ATOM 215 CB VAL A 15 -0.114 -4.696 -13.382 1.00 0.00 C ATOM 216 CG1 VAL A 15 0.213 -3.887 -12.120 1.00 0.00 C ATOM 217 CG2 VAL A 15 1.179 -4.901 -14.180 1.00 0.00 C ATOM 0 H VAL A 15 -0.558 -6.457 -15.034 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.236 -6.474 -12.207 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.817 -4.154 -14.014 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.706 -2.957 -12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.709 -3.661 -11.584 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.874 -4.468 -11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.623 -3.932 -14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.881 -5.491 -13.590 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.954 -5.426 -15.108 1.00 0.00 H new ATOM 227 N THR A 16 -2.500 -6.067 -11.256 1.00 0.00 N ATOM 228 CA THR A 16 -3.820 -6.010 -10.636 1.00 0.00 C ATOM 229 C THR A 16 -4.026 -4.755 -9.780 1.00 0.00 C ATOM 230 O THR A 16 -5.172 -4.417 -9.488 1.00 0.00 O ATOM 231 CB THR A 16 -4.044 -7.297 -9.820 1.00 0.00 C ATOM 232 OG1 THR A 16 -2.841 -7.742 -9.209 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.549 -8.420 -10.728 1.00 0.00 C ATOM 0 H THR A 16 -1.770 -6.354 -10.604 1.00 0.00 H new ATOM 0 HA THR A 16 -4.566 -5.943 -11.428 1.00 0.00 H new ATOM 0 HB THR A 16 -4.779 -7.062 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.017 -8.559 -8.698 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.703 -9.323 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.492 -8.121 -11.187 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.813 -8.617 -11.507 1.00 0.00 H new ATOM 241 N GLY A 17 -2.968 -4.021 -9.419 1.00 0.00 N ATOM 242 CA GLY A 17 -3.101 -2.748 -8.720 1.00 0.00 C ATOM 243 C GLY A 17 -1.746 -2.092 -8.513 1.00 0.00 C ATOM 244 O GLY A 17 -0.716 -2.731 -8.723 1.00 0.00 O ATOM 0 H GLY A 17 -2.003 -4.294 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.747 -2.082 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.582 -2.908 -7.755 1.00 0.00 H new ATOM 248 N LEU A 18 -1.755 -0.833 -8.078 1.00 0.00 N ATOM 249 CA LEU A 18 -0.565 -0.054 -7.740 1.00 0.00 C ATOM 250 C LEU A 18 -0.744 0.505 -6.329 1.00 0.00 C ATOM 251 O LEU A 18 -1.865 0.728 -5.871 1.00 0.00 O ATOM 252 CB LEU A 18 -0.345 1.114 -8.722 1.00 0.00 C ATOM 253 CG LEU A 18 -0.092 0.752 -10.200 1.00 0.00 C ATOM 254 CD1 LEU A 18 0.168 2.028 -11.008 1.00 0.00 C ATOM 255 CD2 LEU A 18 1.089 -0.199 -10.390 1.00 0.00 C ATOM 0 H LEU A 18 -2.620 -0.309 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 18 0.306 -0.706 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.220 1.762 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.504 1.699 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.987 0.240 -10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.346 1.768 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.700 2.684 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.043 2.541 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.215 -0.415 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.996 0.266 -10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.899 -1.127 -9.851 1.00 0.00 H new ATOM 267 N GLN A 19 0.378 0.767 -5.674 1.00 0.00 N ATOM 268 CA GLN A 19 0.510 1.349 -4.347 1.00 0.00 C ATOM 269 C GLN A 19 1.717 2.292 -4.398 1.00 0.00 C ATOM 270 O GLN A 19 2.566 2.165 -5.283 1.00 0.00 O ATOM 271 CB GLN A 19 0.776 0.256 -3.299 1.00 0.00 C ATOM 272 CG GLN A 19 -0.267 -0.873 -3.234 1.00 0.00 C ATOM 273 CD GLN A 19 0.104 -1.882 -2.148 1.00 0.00 C ATOM 274 OE1 GLN A 19 -0.481 -1.904 -1.072 1.00 0.00 O ATOM 275 NE2 GLN A 19 1.109 -2.714 -2.395 1.00 0.00 N ATOM 0 H GLN A 19 1.288 0.563 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.406 1.871 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.751 -0.186 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.837 0.726 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.252 -0.455 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.329 -1.375 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.586 -2.684 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.403 -3.383 -1.684 1.00 0.00 H new ATOM 284 N ALA A 20 1.858 3.174 -3.406 1.00 0.00 N ATOM 285 CA ALA A 20 2.980 4.112 -3.332 1.00 0.00 C ATOM 286 C ALA A 20 4.354 3.427 -3.213 1.00 0.00 C ATOM 287 O ALA A 20 5.373 4.100 -3.361 1.00 0.00 O ATOM 288 CB ALA A 20 2.760 5.072 -2.159 1.00 0.00 C ATOM 0 H ALA A 20 1.198 3.258 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 20 3.001 4.658 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.593 5.772 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.832 5.624 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.698 4.504 -1.231 1.00 0.00 H new ATOM 294 N TYR A 21 4.401 2.114 -2.943 1.00 0.00 N ATOM 295 CA TYR A 21 5.639 1.362 -2.736 1.00 0.00 C ATOM 296 C TYR A 21 5.675 0.047 -3.530 1.00 0.00 C ATOM 297 O TYR A 21 6.582 -0.762 -3.324 1.00 0.00 O ATOM 298 CB TYR A 21 5.849 1.155 -1.227 1.00 0.00 C ATOM 299 CG TYR A 21 7.296 0.926 -0.822 1.00 0.00 C ATOM 300 CD1 TYR A 21 8.187 2.015 -0.782 1.00 0.00 C ATOM 301 CD2 TYR A 21 7.752 -0.367 -0.494 1.00 0.00 C ATOM 302 CE1 TYR A 21 9.535 1.816 -0.422 1.00 0.00 C ATOM 303 CE2 TYR A 21 9.099 -0.576 -0.135 1.00 0.00 C ATOM 304 CZ TYR A 21 9.995 0.520 -0.098 1.00 0.00 C ATOM 305 OH TYR A 21 11.300 0.338 0.256 1.00 0.00 O ATOM 0 H TYR A 21 3.563 1.539 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 21 6.474 1.942 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.469 2.028 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.254 0.301 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.836 3.006 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.066 -1.201 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.216 2.654 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.446 -1.569 0.111 1.00 0.00 H new ATOM 0 HH TYR A 21 11.457 -0.610 0.450 1.00 0.00 H new ATOM 315 N GLY A 22 4.745 -0.201 -4.460 1.00 0.00 N ATOM 316 CA GLY A 22 4.803 -1.407 -5.279 1.00 0.00 C ATOM 317 C GLY A 22 3.550 -1.647 -6.112 1.00 0.00 C ATOM 318 O GLY A 22 2.595 -0.881 -6.030 1.00 0.00 O ATOM 0 H GLY A 22 3.954 0.412 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.663 -1.341 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.967 -2.268 -4.630 1.00 0.00 H new ATOM 322 N ALA A 23 3.558 -2.710 -6.910 1.00 0.00 N ATOM 323 CA ALA A 23 2.487 -3.083 -7.827 1.00 0.00 C ATOM 324 C ALA A 23 2.117 -4.543 -7.606 1.00 0.00 C ATOM 325 O ALA A 23 3.000 -5.399 -7.541 1.00 0.00 O ATOM 326 CB ALA A 23 2.963 -2.884 -9.266 1.00 0.00 C ATOM 0 H ALA A 23 4.343 -3.361 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 23 1.612 -2.459 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.165 -3.162 -9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.228 -1.838 -9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.836 -3.510 -9.450 1.00 0.00 H new ATOM 332 N PHE A 24 0.823 -4.836 -7.495 1.00 0.00 N ATOM 333 CA PHE A 24 0.339 -6.206 -7.399 1.00 0.00 C ATOM 334 C PHE A 24 0.246 -6.782 -8.806 1.00 0.00 C ATOM 335 O PHE A 24 -0.098 -6.061 -9.743 1.00 0.00 O ATOM 336 CB PHE A 24 -1.036 -6.243 -6.716 1.00 0.00 C ATOM 337 CG PHE A 24 -1.038 -5.837 -5.256 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.251 -6.544 -4.324 1.00 0.00 C ATOM 339 CD2 PHE A 24 -1.857 -4.776 -4.819 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.285 -6.193 -2.961 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.898 -4.432 -3.456 1.00 0.00 C ATOM 342 CZ PHE A 24 -1.116 -5.143 -2.526 1.00 0.00 C ATOM 0 H PHE A 24 0.086 -4.132 -7.469 1.00 0.00 H new ATOM 0 HA PHE A 24 1.027 -6.800 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.713 -5.586 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.438 -7.253 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.379 -7.356 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.454 -4.227 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.326 -6.729 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.530 -3.622 -3.123 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.154 -4.883 -1.478 1.00 0.00 H new ATOM 352 N VAL A 25 0.508 -8.077 -8.961 1.00 0.00 N ATOM 353 CA VAL A 25 0.473 -8.758 -10.250 1.00 0.00 C ATOM 354 C VAL A 25 -0.185 -10.111 -10.017 1.00 0.00 C ATOM 355 O VAL A 25 0.171 -10.821 -9.073 1.00 0.00 O ATOM 356 CB VAL A 25 1.907 -8.885 -10.823 1.00 0.00 C ATOM 357 CG1 VAL A 25 1.893 -9.440 -12.254 1.00 0.00 C ATOM 358 CG2 VAL A 25 2.673 -7.554 -10.848 1.00 0.00 C ATOM 0 H VAL A 25 0.754 -8.690 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.101 -8.200 -10.990 1.00 0.00 H new ATOM 0 HB VAL A 25 2.417 -9.571 -10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.915 -9.516 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.432 -10.428 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.322 -8.771 -12.898 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.669 -7.715 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.135 -6.836 -11.468 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.759 -7.165 -9.834 1.00 0.00 H new ATOM 368 N ALA A 26 -1.178 -10.451 -10.831 1.00 0.00 N ATOM 369 CA ALA A 26 -1.750 -11.789 -10.887 1.00 0.00 C ATOM 370 C ALA A 26 -0.946 -12.577 -11.912 1.00 0.00 C ATOM 371 O ALA A 26 -0.594 -12.036 -12.960 1.00 0.00 O ATOM 372 CB ALA A 26 -3.220 -11.710 -11.296 1.00 0.00 C ATOM 0 H ALA A 26 -1.614 -9.795 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.706 -12.278 -9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.641 -12.715 -11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.769 -11.115 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.300 -11.244 -12.278 1.00 0.00 H new ATOM 378 N LEU A 27 -0.668 -13.844 -11.622 1.00 0.00 N ATOM 379 CA LEU A 27 0.192 -14.687 -12.457 1.00 0.00 C ATOM 380 C LEU A 27 -0.558 -15.942 -12.904 1.00 0.00 C ATOM 381 O LEU A 27 -0.367 -16.399 -14.026 1.00 0.00 O ATOM 382 CB LEU A 27 1.465 -15.044 -11.670 1.00 0.00 C ATOM 383 CG LEU A 27 2.417 -13.853 -11.454 1.00 0.00 C ATOM 384 CD1 LEU A 27 3.381 -14.118 -10.293 1.00 0.00 C ATOM 385 CD2 LEU A 27 3.226 -13.560 -12.715 1.00 0.00 C ATOM 0 H LEU A 27 -1.033 -14.321 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 27 0.477 -14.142 -13.357 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.179 -15.449 -10.699 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.999 -15.833 -12.200 1.00 0.00 H new ATOM 0 HG LEU A 27 1.797 -12.989 -11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.041 -13.260 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.812 -14.279 -9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.977 -15.004 -10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.889 -12.714 -12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.819 -14.436 -12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.548 -13.320 -13.534 1.00 0.00 H new ATOM 763 N LEU A 52 5.402 1.424 -14.563 1.00 0.00 N ATOM 764 CA LEU A 52 4.525 0.261 -14.668 1.00 0.00 C ATOM 765 C LEU A 52 3.096 0.804 -14.812 1.00 0.00 C ATOM 766 O LEU A 52 2.897 2.019 -14.808 1.00 0.00 O ATOM 767 CB LEU A 52 4.654 -0.618 -13.411 1.00 0.00 C ATOM 768 CG LEU A 52 4.447 -2.107 -13.747 1.00 0.00 C ATOM 769 CD1 LEU A 52 5.721 -2.707 -14.347 1.00 0.00 C ATOM 770 CD2 LEU A 52 4.047 -2.882 -12.494 1.00 0.00 C ATOM 0 HA LEU A 52 4.790 -0.362 -15.523 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.639 -0.477 -12.965 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.920 -0.305 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 52 3.646 -2.183 -14.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.554 -3.759 -14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.980 -2.172 -15.261 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.538 -2.618 -13.631 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.904 -3.933 -12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.833 -2.793 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.118 -2.475 -12.096 1.00 0.00 H new ATOM 782 N SER A 53 2.089 -0.060 -14.912 1.00 0.00 N ATOM 783 CA SER A 53 0.692 0.353 -15.033 1.00 0.00 C ATOM 784 C SER A 53 -0.210 -0.795 -14.599 1.00 0.00 C ATOM 785 O SER A 53 0.076 -1.946 -14.922 1.00 0.00 O ATOM 786 CB SER A 53 0.394 0.686 -16.497 1.00 0.00 C ATOM 787 OG SER A 53 1.135 1.813 -16.915 1.00 0.00 O ATOM 0 H SER A 53 2.219 -1.072 -14.911 1.00 0.00 H new ATOM 0 HA SER A 53 0.512 1.226 -14.405 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.638 -0.170 -17.126 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.672 0.879 -16.621 1.00 0.00 H new ATOM 0 HG SER A 53 1.723 2.106 -16.188 1.00 0.00 H new ATOM 793 N VAL A 54 -1.290 -0.497 -13.873 1.00 0.00 N ATOM 794 CA VAL A 54 -2.345 -1.467 -13.604 1.00 0.00 C ATOM 795 C VAL A 54 -3.028 -1.793 -14.931 1.00 0.00 C ATOM 796 O VAL A 54 -3.124 -0.949 -15.827 1.00 0.00 O ATOM 797 CB VAL A 54 -3.292 -0.935 -12.501 1.00 0.00 C ATOM 798 CG1 VAL A 54 -3.899 0.445 -12.808 1.00 0.00 C ATOM 799 CG2 VAL A 54 -4.416 -1.925 -12.181 1.00 0.00 C ATOM 0 H VAL A 54 -1.454 0.420 -13.458 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.951 -2.401 -13.204 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.650 -0.819 -11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.550 0.747 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.099 1.176 -12.925 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.478 0.391 -13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.056 -1.510 -11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.008 -2.106 -13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.986 -2.865 -11.835 1.00 0.00 H new ATOM 809 N GLY A 55 -3.520 -3.027 -15.051 1.00 0.00 N ATOM 810 CA GLY A 55 -4.235 -3.477 -16.231 1.00 0.00 C ATOM 811 C GLY A 55 -3.298 -3.615 -17.430 1.00 0.00 C ATOM 812 O GLY A 55 -3.728 -3.363 -18.557 1.00 0.00 O ATOM 0 H GLY A 55 -3.430 -3.739 -14.327 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.711 -4.436 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.031 -2.771 -16.468 1.00 0.00 H new ATOM 816 N ASP A 56 -2.039 -3.981 -17.201 1.00 0.00 N ATOM 817 CA ASP A 56 -1.061 -4.241 -18.258 1.00 0.00 C ATOM 818 C ASP A 56 -0.449 -5.620 -18.020 1.00 0.00 C ATOM 819 O ASP A 56 -0.577 -6.158 -16.916 1.00 0.00 O ATOM 820 CB ASP A 56 0.011 -3.144 -18.258 1.00 0.00 C ATOM 821 CG ASP A 56 0.987 -3.248 -19.449 1.00 0.00 C ATOM 822 OD1 ASP A 56 0.589 -3.765 -20.517 1.00 0.00 O ATOM 823 OD2 ASP A 56 2.131 -2.766 -19.322 1.00 0.00 O ATOM 0 H ASP A 56 -1.662 -4.108 -16.262 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.541 -4.230 -19.236 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.476 -2.169 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.576 -3.197 -17.328 1.00 0.00 H new ATOM 828 N GLU A 57 0.191 -6.202 -19.022 1.00 0.00 N ATOM 829 CA GLU A 57 0.840 -7.506 -18.944 1.00 0.00 C ATOM 830 C GLU A 57 2.351 -7.270 -18.938 1.00 0.00 C ATOM 831 O GLU A 57 2.862 -6.505 -19.756 1.00 0.00 O ATOM 832 CB GLU A 57 0.380 -8.376 -20.123 1.00 0.00 C ATOM 833 CG GLU A 57 0.959 -9.796 -20.061 1.00 0.00 C ATOM 834 CD GLU A 57 0.456 -10.666 -21.230 1.00 0.00 C ATOM 835 OE1 GLU A 57 1.060 -10.625 -22.323 1.00 0.00 O ATOM 836 OE2 GLU A 57 -0.542 -11.400 -21.053 1.00 0.00 O ATOM 0 H GLU A 57 0.277 -5.768 -19.941 1.00 0.00 H new ATOM 0 HA GLU A 57 0.569 -8.042 -18.035 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.709 -8.430 -20.129 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.680 -7.904 -21.059 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.048 -9.747 -20.085 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.682 -10.261 -19.115 1.00 0.00 H new ATOM 843 N VAL A 58 3.065 -7.908 -18.010 1.00 0.00 N ATOM 844 CA VAL A 58 4.471 -7.635 -17.724 1.00 0.00 C ATOM 845 C VAL A 58 5.197 -8.939 -17.411 1.00 0.00 C ATOM 846 O VAL A 58 4.620 -9.857 -16.821 1.00 0.00 O ATOM 847 CB VAL A 58 4.587 -6.616 -16.563 1.00 0.00 C ATOM 848 CG1 VAL A 58 4.006 -5.243 -16.943 1.00 0.00 C ATOM 849 CG2 VAL A 58 3.909 -7.077 -15.260 1.00 0.00 C ATOM 0 H VAL A 58 2.672 -8.645 -17.424 1.00 0.00 H new ATOM 0 HA VAL A 58 4.946 -7.192 -18.599 1.00 0.00 H new ATOM 0 HB VAL A 58 5.659 -6.538 -16.383 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.108 -4.559 -16.100 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.546 -4.844 -17.801 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.952 -5.352 -17.197 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.033 -6.311 -14.495 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.847 -7.241 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.367 -8.006 -14.921 1.00 0.00 H new ATOM 859 N GLN A 59 6.464 -9.031 -17.811 1.00 0.00 N ATOM 860 CA GLN A 59 7.351 -10.106 -17.395 1.00 0.00 C ATOM 861 C GLN A 59 7.841 -9.760 -15.990 1.00 0.00 C ATOM 862 O GLN A 59 8.135 -8.596 -15.720 1.00 0.00 O ATOM 863 CB GLN A 59 8.545 -10.224 -18.353 1.00 0.00 C ATOM 864 CG GLN A 59 8.124 -10.660 -19.764 1.00 0.00 C ATOM 865 CD GLN A 59 9.338 -10.823 -20.681 1.00 0.00 C ATOM 866 OE1 GLN A 59 9.845 -11.922 -20.882 1.00 0.00 O ATOM 867 NE2 GLN A 59 9.828 -9.736 -21.262 1.00 0.00 N ATOM 0 H GLN A 59 6.903 -8.356 -18.437 1.00 0.00 H new ATOM 0 HA GLN A 59 6.826 -11.061 -17.405 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.057 -9.264 -18.410 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.259 -10.943 -17.952 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.579 -11.602 -19.708 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.443 -9.922 -20.187 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.399 -8.827 -21.088 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.634 -9.809 -21.883 1.00 0.00 H new ATOM 876 N VAL A 60 7.975 -10.758 -15.125 1.00 0.00 N ATOM 877 CA VAL A 60 8.488 -10.614 -13.760 1.00 0.00 C ATOM 878 C VAL A 60 9.472 -11.734 -13.443 1.00 0.00 C ATOM 879 O VAL A 60 9.312 -12.861 -13.912 1.00 0.00 O ATOM 880 CB VAL A 60 7.338 -10.622 -12.728 1.00 0.00 C ATOM 881 CG1 VAL A 60 6.594 -9.284 -12.674 1.00 0.00 C ATOM 882 CG2 VAL A 60 6.320 -11.748 -12.945 1.00 0.00 C ATOM 0 H VAL A 60 7.724 -11.719 -15.356 1.00 0.00 H new ATOM 0 HA VAL A 60 9.002 -9.655 -13.696 1.00 0.00 H new ATOM 0 HB VAL A 60 7.837 -10.800 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.796 -9.341 -11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.290 -8.492 -12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.167 -9.066 -13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.543 -11.688 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.868 -11.645 -13.932 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.824 -12.712 -12.875 1.00 0.00 H new ATOM 892 N LYS A 61 10.473 -11.447 -12.609 1.00 0.00 N ATOM 893 CA LYS A 61 11.350 -12.458 -12.028 1.00 0.00 C ATOM 894 C LYS A 61 10.903 -12.638 -10.583 1.00 0.00 C ATOM 895 O LYS A 61 10.699 -11.655 -9.869 1.00 0.00 O ATOM 896 CB LYS A 61 12.820 -12.032 -12.157 1.00 0.00 C ATOM 897 CG LYS A 61 13.785 -13.087 -11.588 1.00 0.00 C ATOM 898 CD LYS A 61 15.248 -12.686 -11.814 1.00 0.00 C ATOM 899 CE LYS A 61 16.193 -13.783 -11.310 1.00 0.00 C ATOM 900 NZ LYS A 61 17.619 -13.447 -11.538 1.00 0.00 N ATOM 0 H LYS A 61 10.698 -10.496 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 61 11.280 -13.412 -12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.055 -11.857 -13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.969 -11.087 -11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.601 -13.213 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.593 -14.050 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.422 -12.508 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.459 -11.751 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.026 -13.942 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.958 -14.721 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.219 -14.218 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.787 -13.321 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.853 -12.566 -11.037 1.00 0.00 H new ATOM 914 N VAL A 62 10.706 -13.885 -10.173 1.00 0.00 N ATOM 915 CA VAL A 62 10.317 -14.245 -8.819 1.00 0.00 C ATOM 916 C VAL A 62 11.504 -13.933 -7.908 1.00 0.00 C ATOM 917 O VAL A 62 12.613 -14.420 -8.143 1.00 0.00 O ATOM 918 CB VAL A 62 9.902 -15.729 -8.772 1.00 0.00 C ATOM 919 CG1 VAL A 62 9.412 -16.095 -7.364 1.00 0.00 C ATOM 920 CG2 VAL A 62 8.773 -16.041 -9.776 1.00 0.00 C ATOM 0 H VAL A 62 10.815 -14.691 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 62 9.452 -13.675 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 62 10.781 -16.316 -9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.121 -17.145 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.213 -15.925 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.554 -15.475 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.510 -17.097 -9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.899 -15.434 -9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.112 -15.813 -10.787 1.00 0.00 H new ATOM 930 N LEU A 63 11.263 -13.146 -6.863 1.00 0.00 N ATOM 931 CA LEU A 63 12.292 -12.604 -5.976 1.00 0.00 C ATOM 932 C LEU A 63 12.205 -13.217 -4.577 1.00 0.00 C ATOM 933 O LEU A 63 13.237 -13.382 -3.929 1.00 0.00 O ATOM 934 CB LEU A 63 12.138 -11.074 -5.943 1.00 0.00 C ATOM 935 CG LEU A 63 13.184 -10.327 -5.090 1.00 0.00 C ATOM 936 CD1 LEU A 63 14.615 -10.540 -5.602 1.00 0.00 C ATOM 937 CD2 LEU A 63 12.864 -8.830 -5.109 1.00 0.00 C ATOM 0 H LEU A 63 10.320 -12.859 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 63 13.281 -12.861 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.190 -10.697 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.145 -10.833 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 63 13.133 -10.727 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.313 -9.994 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.856 -11.603 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.693 -10.175 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.598 -8.293 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.897 -8.464 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.868 -8.666 -4.697 1.00 0.00 H new ATOM 949 N ALA A 64 11.010 -13.597 -4.118 1.00 0.00 N ATOM 950 CA ALA A 64 10.784 -14.321 -2.864 1.00 0.00 C ATOM 951 C ALA A 64 9.456 -15.063 -2.974 1.00 0.00 C ATOM 952 O ALA A 64 8.601 -14.659 -3.758 1.00 0.00 O ATOM 953 CB ALA A 64 10.739 -13.356 -1.676 1.00 0.00 C ATOM 0 H ALA A 64 10.146 -13.403 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 64 11.603 -15.021 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.570 -13.918 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.686 -12.821 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.929 -12.641 -1.818 1.00 0.00 H new ATOM 959 N VAL A 65 9.249 -16.091 -2.157 1.00 0.00 N ATOM 960 CA VAL A 65 7.979 -16.815 -2.050 1.00 0.00 C ATOM 961 C VAL A 65 7.690 -16.988 -0.552 1.00 0.00 C ATOM 962 O VAL A 65 8.603 -17.273 0.225 1.00 0.00 O ATOM 963 CB VAL A 65 8.072 -18.162 -2.810 1.00 0.00 C ATOM 964 CG1 VAL A 65 6.757 -18.949 -2.738 1.00 0.00 C ATOM 965 CG2 VAL A 65 8.425 -17.979 -4.296 1.00 0.00 C ATOM 0 H VAL A 65 9.972 -16.455 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 65 7.155 -16.270 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 65 8.870 -18.714 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.864 -19.887 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.516 -19.160 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.955 -18.360 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.477 -18.954 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.659 -17.374 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.390 -17.479 -4.382 1.00 0.00 H new ATOM 1068 N ILE A 72 4.125 -13.694 -2.966 1.00 0.00 N ATOM 1069 CA ILE A 72 5.342 -13.835 -3.751 1.00 0.00 C ATOM 1070 C ILE A 72 5.852 -12.405 -3.923 1.00 0.00 C ATOM 1071 O ILE A 72 5.056 -11.507 -4.201 1.00 0.00 O ATOM 1072 CB ILE A 72 5.001 -14.523 -5.102 1.00 0.00 C ATOM 1073 CG1 ILE A 72 4.402 -15.929 -4.884 1.00 0.00 C ATOM 1074 CG2 ILE A 72 6.236 -14.614 -6.009 1.00 0.00 C ATOM 1075 CD1 ILE A 72 4.084 -16.708 -6.166 1.00 0.00 C ATOM 0 HA ILE A 72 6.105 -14.458 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 72 4.253 -13.903 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.099 -16.515 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.486 -15.830 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.964 -15.100 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.610 -13.611 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.012 -15.195 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.668 -17.682 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.360 -16.151 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.998 -16.846 -6.744 1.00 0.00 H new ATOM 1087 N SER A 73 7.151 -12.176 -3.759 1.00 0.00 N ATOM 1088 CA SER A 73 7.763 -10.904 -4.118 1.00 0.00 C ATOM 1089 C SER A 73 8.307 -11.058 -5.532 1.00 0.00 C ATOM 1090 O SER A 73 8.805 -12.127 -5.899 1.00 0.00 O ATOM 1091 CB SER A 73 8.864 -10.510 -3.131 1.00 0.00 C ATOM 1092 OG SER A 73 8.376 -10.558 -1.798 1.00 0.00 O ATOM 0 H SER A 73 7.803 -12.861 -3.377 1.00 0.00 H new ATOM 0 HA SER A 73 7.027 -10.101 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.715 -11.183 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.222 -9.506 -3.358 1.00 0.00 H new ATOM 0 HG SER A 73 9.092 -10.305 -1.178 1.00 0.00 H new ATOM 1098 N LEU A 74 8.223 -10.001 -6.324 1.00 0.00 N ATOM 1099 CA LEU A 74 8.488 -10.017 -7.756 1.00 0.00 C ATOM 1100 C LEU A 74 9.426 -8.859 -8.087 1.00 0.00 C ATOM 1101 O LEU A 74 9.584 -7.930 -7.292 1.00 0.00 O ATOM 1102 CB LEU A 74 7.156 -9.863 -8.515 1.00 0.00 C ATOM 1103 CG LEU A 74 6.112 -10.975 -8.281 1.00 0.00 C ATOM 1104 CD1 LEU A 74 4.790 -10.601 -8.962 1.00 0.00 C ATOM 1105 CD2 LEU A 74 6.598 -12.330 -8.796 1.00 0.00 C ATOM 0 H LEU A 74 7.960 -9.078 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 74 8.955 -10.957 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.710 -8.909 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.372 -9.814 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 74 5.959 -11.065 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.058 -11.390 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.418 -9.665 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.954 -10.481 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.834 -13.085 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.792 -12.264 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.515 -12.609 -8.277 1.00 0.00 H new ATOM 1117 N SER A 75 10.012 -8.882 -9.279 1.00 0.00 N ATOM 1118 CA SER A 75 10.865 -7.813 -9.769 1.00 0.00 C ATOM 1119 C SER A 75 10.643 -7.630 -11.267 1.00 0.00 C ATOM 1120 O SER A 75 10.340 -8.594 -11.971 1.00 0.00 O ATOM 1121 CB SER A 75 12.324 -8.121 -9.397 1.00 0.00 C ATOM 1122 OG SER A 75 12.703 -9.449 -9.720 1.00 0.00 O ATOM 0 H SER A 75 9.905 -9.654 -9.937 1.00 0.00 H new ATOM 0 HA SER A 75 10.613 -6.862 -9.300 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.982 -7.424 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.465 -7.957 -8.329 1.00 0.00 H new ATOM 0 HG SER A 75 13.638 -9.593 -9.465 1.00 0.00 H new ATOM 1128 N ILE A 76 10.788 -6.394 -11.743 1.00 0.00 N ATOM 1129 CA ILE A 76 10.583 -5.996 -13.137 1.00 0.00 C ATOM 1130 C ILE A 76 11.935 -5.603 -13.721 1.00 0.00 C ATOM 1131 O ILE A 76 12.251 -6.037 -14.824 1.00 0.00 O ATOM 1132 CB ILE A 76 9.565 -4.831 -13.206 1.00 0.00 C ATOM 1133 CG1 ILE A 76 8.158 -5.214 -12.717 1.00 0.00 C ATOM 1134 CG2 ILE A 76 9.490 -4.210 -14.609 1.00 0.00 C ATOM 1135 CD1 ILE A 76 7.332 -6.071 -13.681 1.00 0.00 C ATOM 0 H ILE A 76 11.062 -5.613 -11.147 1.00 0.00 H new ATOM 0 HA ILE A 76 10.171 -6.819 -13.721 1.00 0.00 H new ATOM 0 HB ILE A 76 9.950 -4.081 -12.514 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.255 -5.751 -11.774 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.604 -4.299 -12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.763 -3.397 -14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.469 -3.821 -14.888 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.184 -4.970 -15.328 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.359 -6.283 -13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.194 -5.533 -14.619 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.854 -7.008 -13.874 1.00 0.00 H new ATOM 1147 N ARG A 77 12.777 -4.862 -12.989 1.00 0.00 N ATOM 1148 CA ARG A 77 14.104 -4.427 -13.453 1.00 0.00 C ATOM 1149 C ARG A 77 14.994 -5.593 -13.886 1.00 0.00 C ATOM 1150 O ARG A 77 15.907 -5.414 -14.688 1.00 0.00 O ATOM 1151 CB ARG A 77 14.774 -3.541 -12.386 1.00 0.00 C ATOM 1152 CG ARG A 77 15.235 -4.248 -11.094 1.00 0.00 C ATOM 1153 CD ARG A 77 15.932 -3.249 -10.154 1.00 0.00 C ATOM 1154 NE ARG A 77 16.215 -3.835 -8.840 1.00 0.00 N ATOM 1155 CZ ARG A 77 17.016 -3.342 -7.890 1.00 0.00 C ATOM 1156 NH1 ARG A 77 17.751 -2.250 -8.093 1.00 0.00 N ATOM 1157 NH2 ARG A 77 17.107 -3.960 -6.723 1.00 0.00 N ATOM 0 H ARG A 77 12.554 -4.543 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 77 13.961 -3.828 -14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.640 -3.058 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.076 -2.750 -12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.377 -4.693 -10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.917 -5.061 -11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.864 -2.913 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.302 -2.368 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 77 15.749 -4.717 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.711 -1.768 -8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.354 -1.896 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.567 -4.808 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.717 -3.588 -5.995 1.00 0.00 H new ATOM 1171 N ALA A 78 14.716 -6.785 -13.357 1.00 0.00 N ATOM 1172 CA ALA A 78 15.396 -8.025 -13.695 1.00 0.00 C ATOM 1173 C ALA A 78 15.093 -8.532 -15.116 1.00 0.00 C ATOM 1174 O ALA A 78 15.835 -9.382 -15.606 1.00 0.00 O ATOM 1175 CB ALA A 78 14.975 -9.082 -12.670 1.00 0.00 C ATOM 0 H ALA A 78 13.985 -6.913 -12.657 1.00 0.00 H new ATOM 0 HA ALA A 78 16.469 -7.834 -13.670 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.470 -10.026 -12.897 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.261 -8.754 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.894 -9.219 -12.712 1.00 0.00 H new