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 Set 1.1: A 19 GLN : amide:sc= 0.0558 X(o=0.17,f=0.31) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0.116 USER MOD Single : A 9 SER OG : rot -81:sc= 1.28 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=0.000321 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0249 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 -150:sc=-0.000535 USER MOD ----------------------------------------------------------------- ATOM 82 N GLU A 6 9.618 -20.436 -7.739 1.00 0.00 N ATOM 83 CA GLU A 6 10.765 -20.536 -6.845 1.00 0.00 C ATOM 84 C GLU A 6 11.618 -19.288 -7.076 1.00 0.00 C ATOM 85 O GLU A 6 11.592 -18.710 -8.162 1.00 0.00 O ATOM 86 CB GLU A 6 11.589 -21.796 -7.161 1.00 0.00 C ATOM 87 CG GLU A 6 10.878 -23.106 -6.792 1.00 0.00 C ATOM 88 CD GLU A 6 11.801 -24.325 -6.988 1.00 0.00 C ATOM 89 OE1 GLU A 6 11.845 -24.887 -8.104 1.00 0.00 O ATOM 90 OE2 GLU A 6 12.478 -24.737 -6.019 1.00 0.00 O ATOM 0 HA GLU A 6 10.437 -20.606 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.825 -21.808 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.537 -21.744 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.547 -23.062 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.985 -23.222 -7.406 1.00 0.00 H new ATOM 97 N VAL A 7 12.377 -18.856 -6.072 1.00 0.00 N ATOM 98 CA VAL A 7 13.278 -17.714 -6.204 1.00 0.00 C ATOM 99 C VAL A 7 14.219 -17.911 -7.393 1.00 0.00 C ATOM 100 O VAL A 7 14.896 -18.931 -7.520 1.00 0.00 O ATOM 101 CB VAL A 7 13.996 -17.421 -4.870 1.00 0.00 C ATOM 102 CG1 VAL A 7 12.943 -17.006 -3.835 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.819 -18.585 -4.304 1.00 0.00 C ATOM 0 H VAL A 7 12.385 -19.286 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 7 12.700 -16.816 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 7 14.715 -16.629 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.431 -16.794 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.423 -16.113 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.225 -17.815 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.284 -18.280 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.166 -19.439 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.593 -18.865 -5.019 1.00 0.00 H new ATOM 113 N GLY A 8 14.213 -16.924 -8.288 1.00 0.00 N ATOM 114 CA GLY A 8 15.027 -16.901 -9.492 1.00 0.00 C ATOM 115 C GLY A 8 14.248 -17.306 -10.745 1.00 0.00 C ATOM 116 O GLY A 8 14.738 -17.047 -11.847 1.00 0.00 O ATOM 0 H GLY A 8 13.624 -16.098 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.433 -15.899 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.875 -17.574 -9.364 1.00 0.00 H new ATOM 120 N SER A 9 13.061 -17.914 -10.616 1.00 0.00 N ATOM 121 CA SER A 9 12.191 -18.151 -11.766 1.00 0.00 C ATOM 122 C SER A 9 11.776 -16.816 -12.394 1.00 0.00 C ATOM 123 O SER A 9 11.772 -15.774 -11.732 1.00 0.00 O ATOM 124 CB SER A 9 10.990 -19.045 -11.408 1.00 0.00 C ATOM 125 OG SER A 9 10.192 -18.565 -10.346 1.00 0.00 O ATOM 0 H SER A 9 12.686 -18.248 -9.728 1.00 0.00 H new ATOM 0 HA SER A 9 12.752 -18.708 -12.517 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.363 -19.159 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.358 -20.037 -11.148 1.00 0.00 H new ATOM 0 HG SER A 9 10.610 -18.799 -9.491 1.00 0.00 H new ATOM 131 N VAL A 10 11.403 -16.840 -13.670 1.00 0.00 N ATOM 132 CA VAL A 10 10.938 -15.664 -14.398 1.00 0.00 C ATOM 133 C VAL A 10 9.800 -16.128 -15.295 1.00 0.00 C ATOM 134 O VAL A 10 9.923 -17.119 -16.016 1.00 0.00 O ATOM 135 CB VAL A 10 12.125 -14.959 -15.105 1.00 0.00 C ATOM 136 CG1 VAL A 10 12.887 -15.849 -16.101 1.00 0.00 C ATOM 137 CG2 VAL A 10 11.696 -13.664 -15.804 1.00 0.00 C ATOM 0 H VAL A 10 11.415 -17.689 -14.235 1.00 0.00 H new ATOM 0 HA VAL A 10 10.539 -14.884 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 10 12.813 -14.723 -14.294 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.700 -15.279 -16.550 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.296 -16.713 -15.578 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.206 -16.187 -16.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.561 -13.206 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.940 -13.890 -16.556 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.282 -12.974 -15.069 1.00 0.00 H new ATOM 147 N TYR A 11 8.670 -15.436 -15.190 1.00 0.00 N ATOM 148 CA TYR A 11 7.415 -15.766 -15.860 1.00 0.00 C ATOM 149 C TYR A 11 6.728 -14.471 -16.307 1.00 0.00 C ATOM 150 O TYR A 11 7.326 -13.398 -16.245 1.00 0.00 O ATOM 151 CB TYR A 11 6.540 -16.595 -14.906 1.00 0.00 C ATOM 152 CG TYR A 11 6.992 -18.033 -14.719 1.00 0.00 C ATOM 153 CD1 TYR A 11 6.687 -18.996 -15.702 1.00 0.00 C ATOM 154 CD2 TYR A 11 7.664 -18.418 -13.543 1.00 0.00 C ATOM 155 CE1 TYR A 11 7.038 -20.346 -15.508 1.00 0.00 C ATOM 156 CE2 TYR A 11 7.969 -19.775 -13.319 1.00 0.00 C ATOM 157 CZ TYR A 11 7.670 -20.741 -14.305 1.00 0.00 C ATOM 158 OH TYR A 11 7.977 -22.048 -14.080 1.00 0.00 O ATOM 0 H TYR A 11 8.600 -14.597 -14.614 1.00 0.00 H new ATOM 0 HA TYR A 11 7.594 -16.368 -16.751 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.522 -16.105 -13.933 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.517 -16.596 -15.282 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.182 -18.697 -16.608 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.945 -17.673 -12.813 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.826 -21.077 -16.274 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.432 -20.077 -12.391 1.00 0.00 H new ATOM 0 HH TYR A 11 8.408 -22.137 -13.204 1.00 0.00 H new ATOM 168 N THR A 12 5.480 -14.560 -16.753 1.00 0.00 N ATOM 169 CA THR A 12 4.680 -13.420 -17.191 1.00 0.00 C ATOM 170 C THR A 12 3.383 -13.416 -16.373 1.00 0.00 C ATOM 171 O THR A 12 2.893 -14.471 -15.967 1.00 0.00 O ATOM 172 CB THR A 12 4.446 -13.512 -18.713 1.00 0.00 C ATOM 173 OG1 THR A 12 5.648 -13.852 -19.390 1.00 0.00 O ATOM 174 CG2 THR A 12 3.957 -12.197 -19.322 1.00 0.00 C ATOM 0 H THR A 12 4.984 -15.448 -16.822 1.00 0.00 H new ATOM 0 HA THR A 12 5.189 -12.472 -17.018 1.00 0.00 H new ATOM 0 HB THR A 12 3.682 -14.279 -18.839 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.477 -13.907 -20.353 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.811 -12.325 -20.395 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.013 -11.910 -18.859 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.698 -11.417 -19.148 1.00 0.00 H new ATOM 182 N GLY A 13 2.843 -12.229 -16.120 1.00 0.00 N ATOM 183 CA GLY A 13 1.634 -12.014 -15.341 1.00 0.00 C ATOM 184 C GLY A 13 0.987 -10.699 -15.752 1.00 0.00 C ATOM 185 O GLY A 13 1.458 -10.039 -16.682 1.00 0.00 O ATOM 0 H GLY A 13 3.251 -11.360 -16.465 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.938 -12.838 -15.497 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.873 -11.996 -14.278 1.00 0.00 H new ATOM 189 N LYS A 14 -0.094 -10.306 -15.078 1.00 0.00 N ATOM 190 CA LYS A 14 -0.831 -9.082 -15.383 1.00 0.00 C ATOM 191 C LYS A 14 -0.974 -8.252 -14.127 1.00 0.00 C ATOM 192 O LYS A 14 -1.232 -8.780 -13.047 1.00 0.00 O ATOM 193 CB LYS A 14 -2.194 -9.393 -16.019 1.00 0.00 C ATOM 194 CG LYS A 14 -2.012 -9.736 -17.500 1.00 0.00 C ATOM 195 CD LYS A 14 -3.334 -10.113 -18.175 1.00 0.00 C ATOM 196 CE LYS A 14 -3.069 -10.578 -19.613 1.00 0.00 C ATOM 197 NZ LYS A 14 -4.316 -10.924 -20.330 1.00 0.00 N ATOM 0 H LYS A 14 -0.485 -10.834 -14.298 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.270 -8.505 -16.118 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.666 -10.227 -15.499 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.858 -8.535 -15.914 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.573 -8.883 -18.017 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.309 -10.563 -17.595 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.827 -10.905 -17.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.008 -9.257 -18.178 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.546 -9.791 -20.157 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.409 -11.446 -19.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.087 -11.232 -21.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.803 -11.693 -19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.936 -10.090 -20.371 1.00 0.00 H new ATOM 211 N VAL A 15 -0.748 -6.957 -14.273 1.00 0.00 N ATOM 212 CA VAL A 15 -0.700 -6.022 -13.161 1.00 0.00 C ATOM 213 C VAL A 15 -2.123 -5.838 -12.641 1.00 0.00 C ATOM 214 O VAL A 15 -3.017 -5.467 -13.404 1.00 0.00 O ATOM 215 CB VAL A 15 -0.073 -4.687 -13.608 1.00 0.00 C ATOM 216 CG1 VAL A 15 0.242 -3.801 -12.395 1.00 0.00 C ATOM 217 CG2 VAL A 15 1.215 -4.872 -14.423 1.00 0.00 C ATOM 0 H VAL A 15 -0.590 -6.519 -15.181 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.072 -6.408 -12.358 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.815 -4.210 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.684 -2.864 -12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.678 -3.592 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.944 -4.317 -11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.608 -3.896 -14.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.954 -5.399 -13.820 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.998 -5.452 -15.320 1.00 0.00 H new ATOM 227 N THR A 16 -2.321 -6.051 -11.348 1.00 0.00 N ATOM 228 CA THR A 16 -3.627 -6.056 -10.693 1.00 0.00 C ATOM 229 C THR A 16 -3.800 -4.887 -9.716 1.00 0.00 C ATOM 230 O THR A 16 -4.920 -4.626 -9.277 1.00 0.00 O ATOM 231 CB THR A 16 -3.855 -7.429 -10.029 1.00 0.00 C ATOM 232 OG1 THR A 16 -2.653 -7.942 -9.478 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.378 -8.432 -11.061 1.00 0.00 C ATOM 0 H THR A 16 -1.553 -6.231 -10.702 1.00 0.00 H new ATOM 0 HA THR A 16 -4.399 -5.904 -11.448 1.00 0.00 H new ATOM 0 HB THR A 16 -4.584 -7.288 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.829 -8.812 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.536 -9.398 -10.582 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.321 -8.073 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.650 -8.540 -11.865 1.00 0.00 H new ATOM 241 N GLY A 17 -2.743 -4.126 -9.424 1.00 0.00 N ATOM 242 CA GLY A 17 -2.841 -2.875 -8.687 1.00 0.00 C ATOM 243 C GLY A 17 -1.509 -2.144 -8.730 1.00 0.00 C ATOM 244 O GLY A 17 -0.477 -2.761 -8.984 1.00 0.00 O ATOM 0 H GLY A 17 -1.790 -4.367 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.623 -2.250 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.124 -3.073 -7.653 1.00 0.00 H new ATOM 248 N LEU A 18 -1.537 -0.841 -8.456 1.00 0.00 N ATOM 249 CA LEU A 18 -0.360 0.018 -8.345 1.00 0.00 C ATOM 250 C LEU A 18 -0.544 0.878 -7.101 1.00 0.00 C ATOM 251 O LEU A 18 -1.669 1.261 -6.773 1.00 0.00 O ATOM 252 CB LEU A 18 -0.214 0.939 -9.568 1.00 0.00 C ATOM 253 CG LEU A 18 0.189 0.264 -10.892 1.00 0.00 C ATOM 254 CD1 LEU A 18 0.348 1.323 -11.983 1.00 0.00 C ATOM 255 CD2 LEU A 18 1.501 -0.504 -10.780 1.00 0.00 C ATOM 0 H LEU A 18 -2.410 -0.337 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 18 0.535 -0.602 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.162 1.454 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.529 1.702 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.603 -0.443 -11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.633 0.842 -12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.597 1.850 -12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.121 2.034 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.739 -0.960 -11.741 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.300 0.181 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.404 -1.282 -10.023 1.00 0.00 H new ATOM 267 N GLN A 19 0.556 1.170 -6.419 1.00 0.00 N ATOM 268 CA GLN A 19 0.591 1.841 -5.122 1.00 0.00 C ATOM 269 C GLN A 19 1.943 2.541 -4.982 1.00 0.00 C ATOM 270 O GLN A 19 2.930 2.109 -5.577 1.00 0.00 O ATOM 271 CB GLN A 19 0.458 0.832 -3.966 1.00 0.00 C ATOM 272 CG GLN A 19 -0.813 -0.032 -3.983 1.00 0.00 C ATOM 273 CD GLN A 19 -0.936 -0.846 -2.696 1.00 0.00 C ATOM 274 OE1 GLN A 19 -1.682 -0.494 -1.789 1.00 0.00 O ATOM 275 NE2 GLN A 19 -0.187 -1.932 -2.579 1.00 0.00 N ATOM 0 H GLN A 19 1.486 0.937 -6.767 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.239 2.545 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.325 0.172 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.491 1.379 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.689 0.605 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.790 -0.703 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.429 -2.212 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.226 -2.489 -1.725 1.00 0.00 H new ATOM 284 N ALA A 20 2.021 3.547 -4.109 1.00 0.00 N ATOM 285 CA ALA A 20 3.240 4.321 -3.857 1.00 0.00 C ATOM 286 C ALA A 20 4.415 3.493 -3.295 1.00 0.00 C ATOM 287 O ALA A 20 5.500 4.043 -3.120 1.00 0.00 O ATOM 288 CB ALA A 20 2.900 5.486 -2.921 1.00 0.00 C ATOM 0 H ALA A 20 1.226 3.853 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 20 3.591 4.687 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.799 6.070 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.149 6.122 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.510 5.096 -1.981 1.00 0.00 H new ATOM 294 N TYR A 21 4.220 2.199 -3.013 1.00 0.00 N ATOM 295 CA TYR A 21 5.260 1.293 -2.529 1.00 0.00 C ATOM 296 C TYR A 21 5.360 -0.001 -3.343 1.00 0.00 C ATOM 297 O TYR A 21 6.251 -0.804 -3.065 1.00 0.00 O ATOM 298 CB TYR A 21 5.060 1.021 -1.030 1.00 0.00 C ATOM 299 CG TYR A 21 3.905 0.093 -0.688 1.00 0.00 C ATOM 300 CD1 TYR A 21 2.601 0.604 -0.531 1.00 0.00 C ATOM 301 CD2 TYR A 21 4.143 -1.285 -0.516 1.00 0.00 C ATOM 302 CE1 TYR A 21 1.539 -0.261 -0.207 1.00 0.00 C ATOM 303 CE2 TYR A 21 3.086 -2.156 -0.189 1.00 0.00 C ATOM 304 CZ TYR A 21 1.776 -1.645 -0.035 1.00 0.00 C ATOM 305 OH TYR A 21 0.738 -2.479 0.264 1.00 0.00 O ATOM 0 H TYR A 21 3.312 1.746 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 21 6.220 1.790 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.979 0.594 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.903 1.973 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.416 1.660 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.143 -1.676 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.540 0.133 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.275 -3.211 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 21 1.070 -3.397 0.348 1.00 0.00 H new ATOM 315 N GLY A 22 4.529 -0.232 -4.369 1.00 0.00 N ATOM 316 CA GLY A 22 4.649 -1.444 -5.166 1.00 0.00 C ATOM 317 C GLY A 22 3.494 -1.676 -6.130 1.00 0.00 C ATOM 318 O GLY A 22 2.519 -0.927 -6.140 1.00 0.00 O ATOM 0 H GLY A 22 3.780 0.398 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.578 -1.401 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.725 -2.300 -4.495 1.00 0.00 H new ATOM 322 N ALA A 23 3.626 -2.717 -6.946 1.00 0.00 N ATOM 323 CA ALA A 23 2.695 -3.099 -7.998 1.00 0.00 C ATOM 324 C ALA A 23 2.330 -4.558 -7.790 1.00 0.00 C ATOM 325 O ALA A 23 3.217 -5.414 -7.748 1.00 0.00 O ATOM 326 CB ALA A 23 3.360 -2.935 -9.369 1.00 0.00 C ATOM 0 H ALA A 23 4.426 -3.347 -6.887 1.00 0.00 H new ATOM 0 HA ALA A 23 1.807 -2.468 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.657 -3.223 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.653 -1.894 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.244 -3.571 -9.423 1.00 0.00 H new ATOM 332 N PHE A 24 1.043 -4.855 -7.645 1.00 0.00 N ATOM 333 CA PHE A 24 0.597 -6.238 -7.590 1.00 0.00 C ATOM 334 C PHE A 24 0.579 -6.783 -9.011 1.00 0.00 C ATOM 335 O PHE A 24 0.138 -6.086 -9.927 1.00 0.00 O ATOM 336 CB PHE A 24 -0.794 -6.334 -6.954 1.00 0.00 C ATOM 337 CG PHE A 24 -0.800 -6.147 -5.452 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.147 -7.083 -4.624 1.00 0.00 C ATOM 339 CD2 PHE A 24 -1.477 -5.054 -4.874 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.172 -6.928 -3.225 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.503 -4.902 -3.475 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.849 -5.836 -2.650 1.00 0.00 C ATOM 0 H PHE A 24 0.298 -4.163 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 24 1.276 -6.826 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.441 -5.582 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.223 -7.308 -7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.374 -7.921 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.976 -4.333 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.328 -7.647 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.026 -4.067 -3.034 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.867 -5.715 -1.577 1.00 0.00 H new ATOM 352 N VAL A 25 1.016 -8.026 -9.192 1.00 0.00 N ATOM 353 CA VAL A 25 0.981 -8.711 -10.472 1.00 0.00 C ATOM 354 C VAL A 25 0.449 -10.110 -10.209 1.00 0.00 C ATOM 355 O VAL A 25 1.070 -10.906 -9.496 1.00 0.00 O ATOM 356 CB VAL A 25 2.368 -8.721 -11.142 1.00 0.00 C ATOM 357 CG1 VAL A 25 2.246 -9.296 -12.558 1.00 0.00 C ATOM 358 CG2 VAL A 25 3.002 -7.324 -11.223 1.00 0.00 C ATOM 0 H VAL A 25 1.410 -8.591 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 25 0.329 -8.194 -11.176 1.00 0.00 H new ATOM 0 HB VAL A 25 3.017 -9.340 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.227 -9.304 -13.033 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.860 -10.314 -12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.564 -8.680 -13.144 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.977 -7.394 -11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.357 -6.665 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.122 -6.920 -10.218 1.00 0.00 H new ATOM 368 N ALA A 26 -0.731 -10.392 -10.750 1.00 0.00 N ATOM 369 CA ALA A 26 -1.307 -11.722 -10.737 1.00 0.00 C ATOM 370 C ALA A 26 -0.559 -12.574 -11.756 1.00 0.00 C ATOM 371 O ALA A 26 -0.157 -12.092 -12.814 1.00 0.00 O ATOM 372 CB ALA A 26 -2.806 -11.653 -11.020 1.00 0.00 C ATOM 0 H ALA A 26 -1.315 -9.695 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.200 -12.182 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.225 -12.659 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.293 -11.047 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.971 -11.204 -11.999 1.00 0.00 H new ATOM 378 N LEU A 27 -0.380 -13.846 -11.426 1.00 0.00 N ATOM 379 CA LEU A 27 0.464 -14.800 -12.146 1.00 0.00 C ATOM 380 C LEU A 27 -0.385 -15.946 -12.707 1.00 0.00 C ATOM 381 O LEU A 27 -0.015 -16.572 -13.697 1.00 0.00 O ATOM 382 CB LEU A 27 1.489 -15.388 -11.164 1.00 0.00 C ATOM 383 CG LEU A 27 2.566 -14.402 -10.672 1.00 0.00 C ATOM 384 CD1 LEU A 27 3.244 -14.963 -9.417 1.00 0.00 C ATOM 385 CD2 LEU A 27 3.627 -14.136 -11.743 1.00 0.00 C ATOM 0 H LEU A 27 -0.837 -14.263 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 27 0.962 -14.286 -12.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.955 -15.780 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.984 -16.233 -11.643 1.00 0.00 H new ATOM 0 HG LEU A 27 2.071 -13.458 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.005 -14.264 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.499 -15.105 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.710 -15.920 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.367 -13.436 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.117 -15.072 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.153 -13.710 -12.627 1.00 0.00 H new ATOM 763 N LEU A 52 5.219 1.518 -14.825 1.00 0.00 N ATOM 764 CA LEU A 52 4.340 0.350 -14.918 1.00 0.00 C ATOM 765 C LEU A 52 2.920 0.841 -15.222 1.00 0.00 C ATOM 766 O LEU A 52 2.673 2.044 -15.288 1.00 0.00 O ATOM 767 CB LEU A 52 4.357 -0.440 -13.594 1.00 0.00 C ATOM 768 CG LEU A 52 5.511 -1.450 -13.465 1.00 0.00 C ATOM 769 CD1 LEU A 52 5.499 -2.054 -12.057 1.00 0.00 C ATOM 770 CD2 LEU A 52 5.374 -2.586 -14.486 1.00 0.00 C ATOM 0 HA LEU A 52 4.685 -0.313 -15.711 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.415 0.266 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.412 -0.973 -13.492 1.00 0.00 H new ATOM 0 HG LEU A 52 6.446 -0.922 -13.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.315 -2.770 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.624 -1.261 -11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.549 -2.561 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.204 -3.282 -14.369 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.433 -3.112 -14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.387 -2.172 -15.494 1.00 0.00 H new ATOM 782 N SER A 53 1.978 -0.078 -15.431 1.00 0.00 N ATOM 783 CA SER A 53 0.578 0.240 -15.701 1.00 0.00 C ATOM 784 C SER A 53 -0.304 -0.888 -15.171 1.00 0.00 C ATOM 785 O SER A 53 -0.002 -2.054 -15.407 1.00 0.00 O ATOM 786 CB SER A 53 0.391 0.407 -17.210 1.00 0.00 C ATOM 787 OG SER A 53 1.203 1.478 -17.664 1.00 0.00 O ATOM 0 H SER A 53 2.170 -1.080 -15.417 1.00 0.00 H new ATOM 0 HA SER A 53 0.295 1.168 -15.203 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.661 -0.514 -17.726 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.656 0.606 -17.439 1.00 0.00 H new ATOM 0 HG SER A 53 1.088 1.588 -18.631 1.00 0.00 H new ATOM 793 N VAL A 54 -1.373 -0.551 -14.447 1.00 0.00 N ATOM 794 CA VAL A 54 -2.374 -1.523 -14.020 1.00 0.00 C ATOM 795 C VAL A 54 -3.122 -2.018 -15.259 1.00 0.00 C ATOM 796 O VAL A 54 -3.309 -1.277 -16.227 1.00 0.00 O ATOM 797 CB VAL A 54 -3.267 -0.900 -12.923 1.00 0.00 C ATOM 798 CG1 VAL A 54 -4.185 0.226 -13.425 1.00 0.00 C ATOM 799 CG2 VAL A 54 -4.088 -1.968 -12.195 1.00 0.00 C ATOM 0 H VAL A 54 -1.567 0.403 -14.142 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.925 -2.402 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.572 -0.440 -12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.778 0.609 -12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.579 1.031 -13.841 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.850 -0.163 -14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.704 -1.495 -11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.729 -2.484 -12.910 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.416 -2.686 -11.726 1.00 0.00 H new ATOM 809 N GLY A 55 -3.555 -3.276 -15.220 1.00 0.00 N ATOM 810 CA GLY A 55 -4.316 -3.888 -16.296 1.00 0.00 C ATOM 811 C GLY A 55 -3.469 -4.113 -17.545 1.00 0.00 C ATOM 812 O GLY A 55 -4.015 -4.109 -18.650 1.00 0.00 O ATOM 0 H GLY A 55 -3.384 -3.901 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.720 -4.842 -15.956 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.166 -3.252 -16.545 1.00 0.00 H new ATOM 816 N ASP A 56 -2.158 -4.302 -17.389 1.00 0.00 N ATOM 817 CA ASP A 56 -1.229 -4.552 -18.490 1.00 0.00 C ATOM 818 C ASP A 56 -0.479 -5.846 -18.174 1.00 0.00 C ATOM 819 O ASP A 56 -0.511 -6.316 -17.037 1.00 0.00 O ATOM 820 CB ASP A 56 -0.294 -3.343 -18.654 1.00 0.00 C ATOM 821 CG ASP A 56 0.573 -3.392 -19.920 1.00 0.00 C ATOM 822 OD1 ASP A 56 0.339 -4.219 -20.824 1.00 0.00 O ATOM 823 OD2 ASP A 56 1.521 -2.583 -20.036 1.00 0.00 O ATOM 0 H ASP A 56 -1.704 -4.285 -16.476 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.746 -4.676 -19.442 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.893 -2.433 -18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.357 -3.279 -17.782 1.00 0.00 H new ATOM 828 N GLU A 57 0.160 -6.454 -19.163 1.00 0.00 N ATOM 829 CA GLU A 57 0.888 -7.709 -19.034 1.00 0.00 C ATOM 830 C GLU A 57 2.374 -7.385 -18.922 1.00 0.00 C ATOM 831 O GLU A 57 2.876 -6.518 -19.643 1.00 0.00 O ATOM 832 CB GLU A 57 0.571 -8.572 -20.261 1.00 0.00 C ATOM 833 CG GLU A 57 1.211 -9.964 -20.201 1.00 0.00 C ATOM 834 CD GLU A 57 0.843 -10.809 -21.438 1.00 0.00 C ATOM 835 OE1 GLU A 57 1.546 -10.718 -22.467 1.00 0.00 O ATOM 836 OE2 GLU A 57 -0.153 -11.567 -21.375 1.00 0.00 O ATOM 0 H GLU A 57 0.187 -6.075 -20.109 1.00 0.00 H new ATOM 0 HA GLU A 57 0.596 -8.267 -18.144 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.510 -8.680 -20.352 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.917 -8.058 -21.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.295 -9.865 -20.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.883 -10.478 -19.297 1.00 0.00 H new ATOM 843 N VAL A 58 3.082 -8.065 -18.026 1.00 0.00 N ATOM 844 CA VAL A 58 4.486 -7.804 -17.720 1.00 0.00 C ATOM 845 C VAL A 58 5.192 -9.121 -17.416 1.00 0.00 C ATOM 846 O VAL A 58 4.601 -10.048 -16.856 1.00 0.00 O ATOM 847 CB VAL A 58 4.613 -6.812 -16.536 1.00 0.00 C ATOM 848 CG1 VAL A 58 4.136 -5.401 -16.918 1.00 0.00 C ATOM 849 CG2 VAL A 58 3.861 -7.256 -15.273 1.00 0.00 C ATOM 0 H VAL A 58 2.687 -8.831 -17.479 1.00 0.00 H new ATOM 0 HA VAL A 58 4.964 -7.343 -18.584 1.00 0.00 H new ATOM 0 HB VAL A 58 5.679 -6.798 -16.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.242 -4.737 -16.060 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.738 -5.025 -17.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.089 -5.440 -17.220 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.997 -6.512 -14.488 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.799 -7.357 -15.498 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.253 -8.215 -14.935 1.00 0.00 H new ATOM 859 N GLN A 59 6.466 -9.207 -17.796 1.00 0.00 N ATOM 860 CA GLN A 59 7.341 -10.295 -17.385 1.00 0.00 C ATOM 861 C GLN A 59 7.850 -9.934 -15.990 1.00 0.00 C ATOM 862 O GLN A 59 8.198 -8.778 -15.756 1.00 0.00 O ATOM 863 CB GLN A 59 8.496 -10.436 -18.384 1.00 0.00 C ATOM 864 CG GLN A 59 8.011 -10.951 -19.747 1.00 0.00 C ATOM 865 CD GLN A 59 9.126 -10.895 -20.789 1.00 0.00 C ATOM 866 OE1 GLN A 59 9.416 -9.840 -21.339 1.00 0.00 O ATOM 867 NE2 GLN A 59 9.770 -12.015 -21.079 1.00 0.00 N ATOM 0 H GLN A 59 6.918 -8.520 -18.399 1.00 0.00 H new ATOM 0 HA GLN A 59 6.820 -11.252 -17.362 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.985 -9.470 -18.513 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.243 -11.120 -17.982 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.656 -11.977 -19.646 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.165 -10.353 -20.084 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.516 -12.885 -20.611 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.520 -12.008 -21.770 1.00 0.00 H new ATOM 876 N VAL A 60 7.930 -10.899 -15.086 1.00 0.00 N ATOM 877 CA VAL A 60 8.274 -10.716 -13.677 1.00 0.00 C ATOM 878 C VAL A 60 9.281 -11.783 -13.266 1.00 0.00 C ATOM 879 O VAL A 60 9.107 -12.960 -13.591 1.00 0.00 O ATOM 880 CB VAL A 60 7.000 -10.814 -12.805 1.00 0.00 C ATOM 881 CG1 VAL A 60 6.294 -9.462 -12.714 1.00 0.00 C ATOM 882 CG2 VAL A 60 5.980 -11.867 -13.272 1.00 0.00 C ATOM 0 H VAL A 60 7.750 -11.875 -15.321 1.00 0.00 H new ATOM 0 HA VAL A 60 8.715 -9.730 -13.532 1.00 0.00 H new ATOM 0 HB VAL A 60 7.364 -11.133 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.402 -9.558 -12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.967 -8.729 -12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.009 -9.132 -13.713 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.121 -11.864 -12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.651 -11.631 -14.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.445 -12.853 -13.262 1.00 0.00 H new ATOM 892 N LYS A 61 10.320 -11.385 -12.527 1.00 0.00 N ATOM 893 CA LYS A 61 11.255 -12.322 -11.911 1.00 0.00 C ATOM 894 C LYS A 61 10.824 -12.522 -10.463 1.00 0.00 C ATOM 895 O LYS A 61 10.555 -11.543 -9.770 1.00 0.00 O ATOM 896 CB LYS A 61 12.690 -11.782 -12.027 1.00 0.00 C ATOM 897 CG LYS A 61 13.707 -12.832 -11.550 1.00 0.00 C ATOM 898 CD LYS A 61 15.155 -12.353 -11.711 1.00 0.00 C ATOM 899 CE LYS A 61 16.124 -13.419 -11.182 1.00 0.00 C ATOM 900 NZ LYS A 61 17.544 -13.021 -11.346 1.00 0.00 N ATOM 0 H LYS A 61 10.534 -10.405 -12.341 1.00 0.00 H new ATOM 0 HA LYS A 61 11.244 -13.287 -12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.899 -11.510 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.791 -10.874 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.519 -13.068 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.566 -13.754 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.364 -12.149 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.299 -11.418 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.920 -13.601 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.949 -14.358 -11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.160 -13.772 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.749 -12.873 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.720 -12.139 -10.824 1.00 0.00 H new ATOM 914 N VAL A 62 10.744 -13.767 -10.016 1.00 0.00 N ATOM 915 CA VAL A 62 10.456 -14.131 -8.634 1.00 0.00 C ATOM 916 C VAL A 62 11.706 -13.879 -7.794 1.00 0.00 C ATOM 917 O VAL A 62 12.771 -14.421 -8.097 1.00 0.00 O ATOM 918 CB VAL A 62 10.020 -15.608 -8.583 1.00 0.00 C ATOM 919 CG1 VAL A 62 9.716 -16.068 -7.149 1.00 0.00 C ATOM 920 CG2 VAL A 62 8.761 -15.824 -9.441 1.00 0.00 C ATOM 0 H VAL A 62 10.882 -14.576 -10.622 1.00 0.00 H new ATOM 0 HA VAL A 62 9.643 -13.528 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 62 10.851 -16.196 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.412 -17.115 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.609 -15.955 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.911 -15.461 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.465 -16.872 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.951 -15.201 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.974 -15.552 -10.475 1.00 0.00 H new ATOM 930 N LEU A 63 11.564 -13.109 -6.714 1.00 0.00 N ATOM 931 CA LEU A 63 12.654 -12.757 -5.798 1.00 0.00 C ATOM 932 C LEU A 63 12.436 -13.300 -4.386 1.00 0.00 C ATOM 933 O LEU A 63 13.416 -13.464 -3.661 1.00 0.00 O ATOM 934 CB LEU A 63 12.850 -11.229 -5.770 1.00 0.00 C ATOM 935 CG LEU A 63 14.001 -10.695 -6.647 1.00 0.00 C ATOM 936 CD1 LEU A 63 15.377 -11.170 -6.161 1.00 0.00 C ATOM 937 CD2 LEU A 63 13.825 -11.052 -8.127 1.00 0.00 C ATOM 0 H LEU A 63 10.668 -12.703 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 63 13.560 -13.230 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.922 -10.754 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.028 -10.921 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 63 13.958 -9.610 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.152 -10.766 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.543 -10.822 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.415 -12.259 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.662 -10.653 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.793 -12.136 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.894 -10.622 -8.497 1.00 0.00 H new ATOM 949 N ALA A 64 11.200 -13.622 -3.989 1.00 0.00 N ATOM 950 CA ALA A 64 10.907 -14.346 -2.751 1.00 0.00 C ATOM 951 C ALA A 64 9.618 -15.138 -2.939 1.00 0.00 C ATOM 952 O ALA A 64 8.766 -14.745 -3.733 1.00 0.00 O ATOM 953 CB ALA A 64 10.764 -13.387 -1.563 1.00 0.00 C ATOM 0 H ALA A 64 10.366 -13.383 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 64 11.736 -15.020 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.547 -13.957 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.693 -12.834 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.950 -12.688 -1.756 1.00 0.00 H new ATOM 959 N VAL A 65 9.450 -16.204 -2.165 1.00 0.00 N ATOM 960 CA VAL A 65 8.212 -16.974 -2.061 1.00 0.00 C ATOM 961 C VAL A 65 8.049 -17.303 -0.572 1.00 0.00 C ATOM 962 O VAL A 65 9.032 -17.632 0.094 1.00 0.00 O ATOM 963 CB VAL A 65 8.295 -18.253 -2.934 1.00 0.00 C ATOM 964 CG1 VAL A 65 6.995 -19.069 -2.873 1.00 0.00 C ATOM 965 CG2 VAL A 65 8.594 -17.957 -4.411 1.00 0.00 C ATOM 0 H VAL A 65 10.195 -16.570 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 65 7.349 -16.417 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 65 9.123 -18.824 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.093 -19.957 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.802 -19.369 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.166 -18.461 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.639 -18.893 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.805 -17.328 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.550 -17.440 -4.492 1.00 0.00 H new ATOM 1068 N ILE A 72 4.341 -13.937 -2.711 1.00 0.00 N ATOM 1069 CA ILE A 72 5.465 -13.994 -3.637 1.00 0.00 C ATOM 1070 C ILE A 72 5.929 -12.545 -3.783 1.00 0.00 C ATOM 1071 O ILE A 72 5.097 -11.653 -3.971 1.00 0.00 O ATOM 1072 CB ILE A 72 5.020 -14.625 -4.988 1.00 0.00 C ATOM 1073 CG1 ILE A 72 4.489 -16.063 -4.798 1.00 0.00 C ATOM 1074 CG2 ILE A 72 6.181 -14.619 -5.998 1.00 0.00 C ATOM 1075 CD1 ILE A 72 4.049 -16.777 -6.084 1.00 0.00 C ATOM 0 HA ILE A 72 6.281 -14.624 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 72 4.206 -14.015 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.266 -16.659 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.643 -16.032 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.850 -15.064 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.502 -13.593 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.015 -15.196 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.693 -17.778 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.246 -16.212 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.895 -16.848 -6.768 1.00 0.00 H new ATOM 1087 N SER A 73 7.235 -12.303 -3.714 1.00 0.00 N ATOM 1088 CA SER A 73 7.817 -11.010 -4.050 1.00 0.00 C ATOM 1089 C SER A 73 8.411 -11.126 -5.447 1.00 0.00 C ATOM 1090 O SER A 73 9.019 -12.144 -5.794 1.00 0.00 O ATOM 1091 CB SER A 73 8.882 -10.588 -3.033 1.00 0.00 C ATOM 1092 OG SER A 73 8.378 -10.658 -1.707 1.00 0.00 O ATOM 0 H SER A 73 7.920 -13.000 -3.423 1.00 0.00 H new ATOM 0 HA SER A 73 7.048 -10.238 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.756 -11.233 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.211 -9.571 -3.247 1.00 0.00 H new ATOM 0 HG SER A 73 9.077 -10.386 -1.077 1.00 0.00 H new ATOM 1098 N LEU A 74 8.227 -10.084 -6.246 1.00 0.00 N ATOM 1099 CA LEU A 74 8.542 -10.060 -7.668 1.00 0.00 C ATOM 1100 C LEU A 74 9.452 -8.863 -7.941 1.00 0.00 C ATOM 1101 O LEU A 74 9.609 -7.984 -7.093 1.00 0.00 O ATOM 1102 CB LEU A 74 7.234 -9.956 -8.476 1.00 0.00 C ATOM 1103 CG LEU A 74 6.255 -11.138 -8.319 1.00 0.00 C ATOM 1104 CD1 LEU A 74 4.965 -10.852 -9.091 1.00 0.00 C ATOM 1105 CD2 LEU A 74 6.859 -12.455 -8.806 1.00 0.00 C ATOM 0 H LEU A 74 7.841 -9.202 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 74 9.056 -10.973 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.720 -9.041 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.487 -9.856 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 74 6.040 -11.243 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.278 -11.691 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.500 -9.947 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.196 -10.715 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.134 -13.258 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.119 -12.368 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.756 -12.679 -8.229 1.00 0.00 H new ATOM 1117 N SER A 75 10.035 -8.794 -9.131 1.00 0.00 N ATOM 1118 CA SER A 75 10.818 -7.651 -9.570 1.00 0.00 C ATOM 1119 C SER A 75 10.630 -7.456 -11.070 1.00 0.00 C ATOM 1120 O SER A 75 10.407 -8.423 -11.804 1.00 0.00 O ATOM 1121 CB SER A 75 12.284 -7.879 -9.203 1.00 0.00 C ATOM 1122 OG SER A 75 12.409 -7.994 -7.802 1.00 0.00 O ATOM 0 H SER A 75 9.975 -9.540 -9.825 1.00 0.00 H new ATOM 0 HA SER A 75 10.483 -6.741 -9.072 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.654 -8.783 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.893 -7.051 -9.566 1.00 0.00 H new ATOM 0 HG SER A 75 13.291 -7.669 -7.525 1.00 0.00 H new ATOM 1128 N ILE A 76 10.751 -6.201 -11.501 1.00 0.00 N ATOM 1129 CA ILE A 76 10.660 -5.772 -12.897 1.00 0.00 C ATOM 1130 C ILE A 76 11.997 -5.167 -13.330 1.00 0.00 C ATOM 1131 O ILE A 76 12.305 -5.163 -14.515 1.00 0.00 O ATOM 1132 CB ILE A 76 9.458 -4.810 -13.082 1.00 0.00 C ATOM 1133 CG1 ILE A 76 8.104 -5.450 -12.737 1.00 0.00 C ATOM 1134 CG2 ILE A 76 9.381 -4.200 -14.490 1.00 0.00 C ATOM 1135 CD1 ILE A 76 7.637 -6.531 -13.713 1.00 0.00 C ATOM 0 H ILE A 76 10.922 -5.424 -10.862 1.00 0.00 H new ATOM 0 HA ILE A 76 10.470 -6.625 -13.548 1.00 0.00 H new ATOM 0 HB ILE A 76 9.653 -4.011 -12.367 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.167 -5.884 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.348 -4.666 -12.696 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.518 -3.537 -14.553 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.290 -3.633 -14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.280 -4.997 -15.227 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.674 -6.924 -13.387 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.536 -6.102 -14.710 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.368 -7.339 -13.738 1.00 0.00 H new ATOM 1147 N ARG A 77 12.887 -4.760 -12.413 1.00 0.00 N ATOM 1148 CA ARG A 77 14.266 -4.377 -12.752 1.00 0.00 C ATOM 1149 C ARG A 77 14.980 -5.462 -13.562 1.00 0.00 C ATOM 1150 O ARG A 77 15.827 -5.140 -14.394 1.00 0.00 O ATOM 1151 CB ARG A 77 15.044 -3.992 -11.479 1.00 0.00 C ATOM 1152 CG ARG A 77 15.387 -5.165 -10.541 1.00 0.00 C ATOM 1153 CD ARG A 77 16.036 -4.686 -9.236 1.00 0.00 C ATOM 1154 NE ARG A 77 17.357 -4.066 -9.445 1.00 0.00 N ATOM 1155 CZ ARG A 77 17.935 -3.193 -8.606 1.00 0.00 C ATOM 1156 NH1 ARG A 77 17.364 -2.855 -7.462 1.00 0.00 N ATOM 1157 NH2 ARG A 77 19.104 -2.648 -8.936 1.00 0.00 N ATOM 0 H ARG A 77 12.672 -4.687 -11.419 1.00 0.00 H new ATOM 0 HA ARG A 77 14.225 -3.499 -13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.971 -3.500 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.458 -3.261 -10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.479 -5.723 -10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.062 -5.852 -11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.376 -3.967 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.141 -5.532 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 77 17.869 -4.319 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.465 -3.260 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.823 -2.189 -6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.551 -2.895 -9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.553 -1.983 -8.306 1.00 0.00 H new ATOM 1171 N ALA A 78 14.618 -6.724 -13.317 1.00 0.00 N ATOM 1172 CA ALA A 78 15.114 -7.894 -14.028 1.00 0.00 C ATOM 1173 C ALA A 78 14.578 -8.000 -15.465 1.00 0.00 C ATOM 1174 O ALA A 78 15.222 -8.630 -16.299 1.00 0.00 O ATOM 1175 CB ALA A 78 14.692 -9.131 -13.230 1.00 0.00 C ATOM 0 H ALA A 78 13.945 -6.963 -12.589 1.00 0.00 H new ATOM 0 HA ALA A 78 16.198 -7.812 -14.112 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.048 -10.029 -13.735 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.122 -9.083 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.605 -9.163 -13.156 1.00 0.00 H new