USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 464 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 8 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.702 X(o=-0.7,f=-0.46) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.167 USER MOD Single : A 30 THR OG1 : rot -109:sc= 0.494 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.0164 X(o=0.016,f=-0.43) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -43:sc= 0.703 USER MOD Single : A 53 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.5!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.041) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N PHE A 5 1.645 4.796 -11.292 1.00 63.41 N ATOM 60 CA PHE A 5 2.186 4.984 -12.633 1.00 73.04 C ATOM 61 C PHE A 5 2.051 6.438 -13.075 1.00 14.31 C ATOM 62 O PHE A 5 1.438 7.254 -12.386 1.00 15.14 O ATOM 63 CB PHE A 5 1.469 4.069 -13.628 1.00 70.41 C ATOM 64 CG PHE A 5 1.971 2.653 -13.609 1.00 42.15 C ATOM 65 CD1 PHE A 5 1.883 1.888 -12.458 1.00 21.03 C ATOM 66 CD2 PHE A 5 2.531 2.088 -14.744 1.00 32.42 C ATOM 67 CE1 PHE A 5 2.345 0.586 -12.438 1.00 23.43 C ATOM 68 CE2 PHE A 5 2.994 0.785 -14.730 1.00 3.50 C ATOM 69 CZ PHE A 5 2.900 0.033 -13.576 1.00 4.34 C ATOM 0 HA PHE A 5 3.245 4.726 -12.610 1.00 73.04 H new ATOM 0 HB2 PHE A 5 0.402 4.071 -13.407 1.00 70.41 H new ATOM 0 HB3 PHE A 5 1.587 4.475 -14.633 1.00 70.41 H new ATOM 0 HD1 PHE A 5 1.448 2.314 -11.566 1.00 21.03 H new ATOM 0 HD2 PHE A 5 2.607 2.672 -15.649 1.00 32.42 H new ATOM 0 HE1 PHE A 5 2.272 0.001 -11.533 1.00 23.43 H new ATOM 0 HE2 PHE A 5 3.429 0.356 -15.621 1.00 3.50 H new ATOM 0 HZ PHE A 5 3.260 -0.985 -13.563 1.00 4.34 H new ATOM 79 N CYS A 6 2.628 6.756 -14.229 1.00 1.24 N ATOM 80 CA CYS A 6 2.574 8.111 -14.763 1.00 44.35 C ATOM 81 C CYS A 6 2.182 8.099 -16.238 1.00 70.11 C ATOM 82 O CYS A 6 2.505 7.163 -16.970 1.00 12.11 O ATOM 83 CB CYS A 6 3.927 8.804 -14.590 1.00 44.43 C ATOM 84 SG CYS A 6 4.180 9.540 -12.943 1.00 43.53 S ATOM 0 H CYS A 6 3.139 6.093 -14.812 1.00 1.24 H new ATOM 0 HA CYS A 6 1.816 8.664 -14.208 1.00 44.35 H new ATOM 0 HB2 CYS A 6 4.720 8.081 -14.779 1.00 44.43 H new ATOM 0 HB3 CYS A 6 4.022 9.585 -15.344 1.00 44.43 H new ATOM 89 N VAL A 7 1.484 9.145 -16.668 1.00 15.23 N ATOM 90 CA VAL A 7 1.048 9.256 -18.055 1.00 12.23 C ATOM 91 C VAL A 7 1.397 10.623 -18.633 1.00 10.04 C ATOM 92 O VAL A 7 1.391 11.629 -17.922 1.00 63.25 O ATOM 93 CB VAL A 7 -0.470 9.028 -18.186 1.00 63.33 C ATOM 94 CG1 VAL A 7 -0.805 7.554 -18.015 1.00 1.05 C ATOM 95 CG2 VAL A 7 -1.225 9.876 -17.175 1.00 14.31 C ATOM 0 H VAL A 7 1.208 9.928 -16.076 1.00 15.23 H new ATOM 0 HA VAL A 7 1.574 8.483 -18.615 1.00 12.23 H new ATOM 0 HB VAL A 7 -0.781 9.333 -19.185 1.00 63.33 H new ATOM 0 HG11 VAL A 7 -1.881 7.412 -18.111 1.00 1.05 H new ATOM 0 HG12 VAL A 7 -0.293 6.973 -18.782 1.00 1.05 H new ATOM 0 HG13 VAL A 7 -0.481 7.219 -17.030 1.00 1.05 H new ATOM 0 HG21 VAL A 7 -2.296 9.702 -17.282 1.00 14.31 H new ATOM 0 HG22 VAL A 7 -0.912 9.605 -16.167 1.00 14.31 H new ATOM 0 HG23 VAL A 7 -1.009 10.930 -17.351 1.00 14.31 H new ATOM 105 N TYR A 8 1.700 10.652 -19.926 1.00 1.44 N ATOM 106 CA TYR A 8 2.054 11.896 -20.600 1.00 31.14 C ATOM 107 C TYR A 8 1.023 12.249 -21.667 1.00 42.25 C ATOM 108 O TYR A 8 0.624 11.401 -22.466 1.00 10.12 O ATOM 109 CB TYR A 8 3.442 11.780 -21.233 1.00 14.43 C ATOM 110 CG TYR A 8 4.319 12.989 -20.994 1.00 34.32 C ATOM 111 CD1 TYR A 8 4.546 13.464 -19.708 1.00 61.51 C ATOM 112 CD2 TYR A 8 4.921 13.655 -22.054 1.00 73.12 C ATOM 113 CE1 TYR A 8 5.346 14.568 -19.486 1.00 30.55 C ATOM 114 CE2 TYR A 8 5.723 14.759 -21.841 1.00 24.21 C ATOM 115 CZ TYR A 8 5.933 15.212 -20.555 1.00 34.41 C ATOM 116 OH TYR A 8 6.731 16.311 -20.337 1.00 63.22 O ATOM 0 H TYR A 8 1.708 9.829 -20.528 1.00 1.44 H new ATOM 0 HA TYR A 8 2.067 12.693 -19.856 1.00 31.14 H new ATOM 0 HB2 TYR A 8 3.941 10.896 -20.836 1.00 14.43 H new ATOM 0 HB3 TYR A 8 3.331 11.628 -22.307 1.00 14.43 H new ATOM 0 HD1 TYR A 8 4.089 12.962 -18.868 1.00 61.51 H new ATOM 0 HD2 TYR A 8 4.759 13.303 -23.062 1.00 73.12 H new ATOM 0 HE1 TYR A 8 5.511 14.925 -18.480 1.00 30.55 H new ATOM 0 HE2 TYR A 8 6.183 15.265 -22.677 1.00 24.21 H new ATOM 0 HH TYR A 8 7.068 16.646 -21.194 1.00 63.22 H new ATOM 126 N TYR A 9 0.597 13.507 -21.676 1.00 1.35 N ATOM 127 CA TYR A 9 -0.388 13.974 -22.643 1.00 54.23 C ATOM 128 C TYR A 9 0.158 15.144 -23.456 1.00 40.10 C ATOM 129 O TYR A 9 1.268 15.618 -23.214 1.00 64.31 O ATOM 130 CB TYR A 9 -1.676 14.391 -21.931 1.00 11.12 C ATOM 131 CG TYR A 9 -2.397 13.243 -21.262 1.00 30.32 C ATOM 132 CD1 TYR A 9 -3.191 12.372 -21.998 1.00 31.14 C ATOM 133 CD2 TYR A 9 -2.283 13.028 -19.894 1.00 31.13 C ATOM 134 CE1 TYR A 9 -3.852 11.322 -21.390 1.00 71.13 C ATOM 135 CE2 TYR A 9 -2.939 11.980 -19.278 1.00 73.41 C ATOM 136 CZ TYR A 9 -3.723 11.130 -20.031 1.00 21.35 C ATOM 137 OH TYR A 9 -4.379 10.084 -19.422 1.00 44.10 O ATOM 0 H TYR A 9 0.919 14.222 -21.024 1.00 1.35 H new ATOM 0 HA TYR A 9 -0.607 13.152 -23.325 1.00 54.23 H new ATOM 0 HB2 TYR A 9 -1.439 15.146 -21.182 1.00 11.12 H new ATOM 0 HB3 TYR A 9 -2.346 14.858 -22.653 1.00 11.12 H new ATOM 0 HD1 TYR A 9 -3.293 12.518 -23.063 1.00 31.14 H new ATOM 0 HD2 TYR A 9 -1.671 13.692 -19.302 1.00 31.13 H new ATOM 0 HE1 TYR A 9 -4.467 10.655 -21.976 1.00 71.13 H new ATOM 0 HE2 TYR A 9 -2.839 11.827 -18.214 1.00 73.41 H new ATOM 0 HH TYR A 9 -4.182 10.089 -18.462 1.00 44.10 H new ATOM 147 N ASP A 10 -0.631 15.605 -24.420 1.00 43.43 N ATOM 148 CA ASP A 10 -0.229 16.721 -25.269 1.00 4.11 C ATOM 149 C ASP A 10 -1.242 17.859 -25.187 1.00 64.31 C ATOM 150 O ASP A 10 -2.421 17.635 -24.919 1.00 32.02 O ATOM 151 CB ASP A 10 -0.079 16.258 -26.719 1.00 5.50 C ATOM 152 CG ASP A 10 1.285 16.587 -27.293 1.00 44.44 C ATOM 153 OD1 ASP A 10 2.284 16.478 -26.551 1.00 42.33 O ATOM 154 OD2 ASP A 10 1.354 16.953 -28.485 1.00 63.02 O ATOM 0 H ASP A 10 -1.553 15.223 -24.633 1.00 43.43 H new ATOM 0 HA ASP A 10 0.733 17.089 -24.912 1.00 4.11 H new ATOM 0 HB2 ASP A 10 -0.243 15.182 -26.773 1.00 5.50 H new ATOM 0 HB3 ASP A 10 -0.850 16.728 -27.329 1.00 5.50 H new ATOM 159 N GLY A 11 -0.772 19.081 -25.419 1.00 61.24 N ATOM 160 CA GLY A 11 -1.649 20.235 -25.366 1.00 14.40 C ATOM 161 C GLY A 11 -2.888 20.062 -26.223 1.00 2.52 C ATOM 162 O GLY A 11 -2.827 20.187 -27.447 1.00 34.55 O ATOM 0 H GLY A 11 0.201 19.292 -25.643 1.00 61.24 H new ATOM 0 HA2 GLY A 11 -1.948 20.413 -24.333 1.00 14.40 H new ATOM 0 HA3 GLY A 11 -1.103 21.118 -25.697 1.00 14.40 H new ATOM 166 N HIS A 12 -4.015 19.773 -25.580 1.00 2.41 N ATOM 167 CA HIS A 12 -5.273 19.582 -26.292 1.00 35.23 C ATOM 168 C HIS A 12 -6.439 19.466 -25.313 1.00 64.35 C ATOM 169 O HIS A 12 -6.390 18.683 -24.363 1.00 44.15 O ATOM 170 CB HIS A 12 -5.202 18.332 -27.169 1.00 74.30 C ATOM 171 CG HIS A 12 -4.974 18.630 -28.619 1.00 34.30 C ATOM 172 ND1 HIS A 12 -4.130 17.886 -29.416 1.00 53.25 N ATOM 173 CD2 HIS A 12 -5.488 19.596 -29.415 1.00 45.45 C ATOM 174 CE1 HIS A 12 -4.133 18.384 -30.640 1.00 64.33 C ATOM 175 NE2 HIS A 12 -4.949 19.422 -30.666 1.00 63.14 N ATOM 0 H HIS A 12 -4.083 19.666 -24.568 1.00 2.41 H new ATOM 0 HA HIS A 12 -5.439 20.453 -26.926 1.00 35.23 H new ATOM 0 HB2 HIS A 12 -4.399 17.690 -26.808 1.00 74.30 H new ATOM 0 HB3 HIS A 12 -6.130 17.771 -27.063 1.00 74.30 H new ATOM 0 HD2 HIS A 12 -6.191 20.361 -29.121 1.00 45.45 H new ATOM 0 HE1 HIS A 12 -3.565 18.006 -31.477 1.00 64.33 H new ATOM 0 HE2 HIS A 12 -5.147 20.000 -31.483 1.00 63.14 H new ATOM 183 N LEU A 13 -7.485 20.249 -25.551 1.00 44.23 N ATOM 184 CA LEU A 13 -8.663 20.235 -24.691 1.00 25.02 C ATOM 185 C LEU A 13 -9.165 18.810 -24.479 1.00 1.41 C ATOM 186 O LEU A 13 -8.847 17.894 -25.238 1.00 1.53 O ATOM 187 CB LEU A 13 -9.773 21.094 -25.298 1.00 43.33 C ATOM 188 CG LEU A 13 -9.963 22.480 -24.681 1.00 2.13 C ATOM 189 CD1 LEU A 13 -8.644 23.236 -24.649 1.00 43.24 C ATOM 190 CD2 LEU A 13 -11.013 23.268 -25.451 1.00 21.44 C ATOM 0 H LEU A 13 -7.542 20.902 -26.333 1.00 44.23 H new ATOM 0 HA LEU A 13 -8.381 20.649 -23.723 1.00 25.02 H new ATOM 0 HB2 LEU A 13 -9.569 21.217 -26.362 1.00 43.33 H new ATOM 0 HB3 LEU A 13 -10.713 20.549 -25.214 1.00 43.33 H new ATOM 0 HG LEU A 13 -10.311 22.355 -23.656 1.00 2.13 H new ATOM 0 HD11 LEU A 13 -8.799 24.220 -24.207 1.00 43.24 H new ATOM 0 HD12 LEU A 13 -7.920 22.680 -24.053 1.00 43.24 H new ATOM 0 HD13 LEU A 13 -8.266 23.351 -25.665 1.00 43.24 H new ATOM 0 HD21 LEU A 13 -11.135 24.252 -24.997 1.00 21.44 H new ATOM 0 HD22 LEU A 13 -10.694 23.383 -26.487 1.00 21.44 H new ATOM 0 HD23 LEU A 13 -11.963 22.734 -25.421 1.00 21.44 H new ATOM 202 N PRO A 14 -9.971 18.618 -23.424 1.00 25.50 N ATOM 203 CA PRO A 14 -10.537 17.307 -23.089 1.00 45.43 C ATOM 204 C PRO A 14 -11.587 16.855 -24.098 1.00 64.30 C ATOM 205 O PRO A 14 -12.048 15.714 -24.059 1.00 4.42 O ATOM 206 CB PRO A 14 -11.177 17.537 -21.718 1.00 4.41 C ATOM 207 CG PRO A 14 -11.478 18.996 -21.680 1.00 62.13 C ATOM 208 CD PRO A 14 -10.391 19.664 -22.477 1.00 74.20 C ATOM 0 HA PRO A 14 -9.780 16.522 -23.095 1.00 45.43 H new ATOM 0 HB2 PRO A 14 -12.083 16.943 -21.599 1.00 4.41 H new ATOM 0 HB3 PRO A 14 -10.501 17.251 -20.912 1.00 4.41 H new ATOM 0 HG2 PRO A 14 -12.459 19.203 -22.108 1.00 62.13 H new ATOM 0 HG3 PRO A 14 -11.493 19.365 -20.654 1.00 62.13 H new ATOM 0 HD2 PRO A 14 -10.759 20.550 -22.994 1.00 74.20 H new ATOM 0 HD3 PRO A 14 -9.566 19.985 -21.841 1.00 74.20 H new ATOM 216 N ALA A 15 -11.960 17.755 -25.001 1.00 40.51 N ATOM 217 CA ALA A 15 -12.954 17.447 -26.022 1.00 1.32 C ATOM 218 C ALA A 15 -12.374 16.531 -27.094 1.00 43.31 C ATOM 219 O ALA A 15 -13.060 15.648 -27.610 1.00 11.24 O ATOM 220 CB ALA A 15 -13.481 18.729 -26.649 1.00 14.21 C ATOM 0 H ALA A 15 -11.589 18.704 -25.047 1.00 40.51 H new ATOM 0 HA ALA A 15 -13.781 16.923 -25.543 1.00 1.32 H new ATOM 0 HB1 ALA A 15 -14.222 18.484 -27.410 1.00 14.21 H new ATOM 0 HB2 ALA A 15 -13.942 19.348 -25.879 1.00 14.21 H new ATOM 0 HB3 ALA A 15 -12.657 19.275 -27.108 1.00 14.21 H new ATOM 226 N THR A 16 -11.105 16.747 -27.427 1.00 41.23 N ATOM 227 CA THR A 16 -10.433 15.943 -28.440 1.00 20.53 C ATOM 228 C THR A 16 -9.012 15.596 -28.012 1.00 64.50 C ATOM 229 O THR A 16 -8.135 15.384 -28.850 1.00 72.04 O ATOM 230 CB THR A 16 -10.385 16.671 -29.796 1.00 14.20 C ATOM 231 OG1 THR A 16 -11.515 17.542 -29.924 1.00 3.30 O ATOM 232 CG2 THR A 16 -10.374 15.675 -30.945 1.00 73.24 C ATOM 0 H THR A 16 -10.522 17.472 -27.009 1.00 41.23 H new ATOM 0 HA THR A 16 -11.011 15.026 -28.550 1.00 20.53 H new ATOM 0 HB THR A 16 -9.467 17.258 -29.836 1.00 14.20 H new ATOM 0 HG1 THR A 16 -11.477 18.003 -30.788 1.00 3.30 H new ATOM 0 HG21 THR A 16 -10.340 16.213 -31.892 1.00 73.24 H new ATOM 0 HG22 THR A 16 -9.498 15.032 -30.861 1.00 73.24 H new ATOM 0 HG23 THR A 16 -11.276 15.065 -30.906 1.00 73.24 H new ATOM 240 N ARG A 17 -8.790 15.538 -26.703 1.00 21.01 N ATOM 241 CA ARG A 17 -7.474 15.217 -26.164 1.00 63.23 C ATOM 242 C ARG A 17 -6.932 13.931 -26.782 1.00 53.15 C ATOM 243 O ARG A 17 -7.682 13.142 -27.358 1.00 15.53 O ATOM 244 CB ARG A 17 -7.543 15.074 -24.643 1.00 2.12 C ATOM 245 CG ARG A 17 -8.206 13.787 -24.181 1.00 63.53 C ATOM 246 CD ARG A 17 -8.840 13.948 -22.809 1.00 31.54 C ATOM 247 NE ARG A 17 -7.935 14.590 -21.859 1.00 52.35 N ATOM 248 CZ ARG A 17 -8.321 15.057 -20.677 1.00 22.30 C ATOM 249 NH1 ARG A 17 -9.588 14.952 -20.300 1.00 63.23 N ATOM 250 NH2 ARG A 17 -7.438 15.629 -19.868 1.00 71.02 N ATOM 0 H ARG A 17 -9.505 15.709 -25.996 1.00 21.01 H new ATOM 0 HA ARG A 17 -6.798 16.034 -26.415 1.00 63.23 H new ATOM 0 HB2 ARG A 17 -6.533 15.118 -24.236 1.00 2.12 H new ATOM 0 HB3 ARG A 17 -8.090 15.922 -24.231 1.00 2.12 H new ATOM 0 HG2 ARG A 17 -8.967 13.490 -24.902 1.00 63.53 H new ATOM 0 HG3 ARG A 17 -7.467 12.987 -24.150 1.00 63.53 H new ATOM 0 HD2 ARG A 17 -9.751 14.540 -22.898 1.00 31.54 H new ATOM 0 HD3 ARG A 17 -9.131 12.969 -22.427 1.00 31.54 H new ATOM 0 HE ARG A 17 -6.953 14.685 -22.117 1.00 52.35 H new ATOM 0 HH11 ARG A 17 -10.269 14.512 -20.918 1.00 63.23 H new ATOM 0 HH12 ARG A 17 -9.881 15.312 -19.392 1.00 63.23 H new ATOM 0 HH21 ARG A 17 -6.462 15.710 -20.154 1.00 71.02 H new ATOM 0 HH22 ARG A 17 -7.735 15.987 -18.960 1.00 71.02 H new ATOM 264 N VAL A 18 -5.625 13.727 -26.660 1.00 65.41 N ATOM 265 CA VAL A 18 -4.982 12.537 -27.206 1.00 33.11 C ATOM 266 C VAL A 18 -3.850 12.060 -26.303 1.00 40.51 C ATOM 267 O VAL A 18 -2.898 12.797 -26.042 1.00 21.14 O ATOM 268 CB VAL A 18 -4.424 12.798 -28.617 1.00 43.23 C ATOM 269 CG1 VAL A 18 -3.898 11.509 -29.231 1.00 15.21 C ATOM 270 CG2 VAL A 18 -5.489 13.425 -29.504 1.00 10.11 C ATOM 0 H VAL A 18 -4.990 14.370 -26.188 1.00 65.41 H new ATOM 0 HA VAL A 18 -5.747 11.763 -27.264 1.00 33.11 H new ATOM 0 HB VAL A 18 -3.593 13.499 -28.536 1.00 43.23 H new ATOM 0 HG11 VAL A 18 -3.508 11.714 -30.228 1.00 15.21 H new ATOM 0 HG12 VAL A 18 -3.102 11.106 -28.605 1.00 15.21 H new ATOM 0 HG13 VAL A 18 -4.707 10.782 -29.300 1.00 15.21 H new ATOM 0 HG21 VAL A 18 -5.077 13.602 -30.497 1.00 10.11 H new ATOM 0 HG22 VAL A 18 -6.342 12.751 -29.580 1.00 10.11 H new ATOM 0 HG23 VAL A 18 -5.812 14.372 -29.071 1.00 10.11 H new ATOM 280 N LEU A 19 -3.959 10.824 -25.829 1.00 41.25 N ATOM 281 CA LEU A 19 -2.943 10.248 -24.955 1.00 72.53 C ATOM 282 C LEU A 19 -1.674 9.921 -25.736 1.00 53.13 C ATOM 283 O LEU A 19 -1.733 9.362 -26.832 1.00 74.32 O ATOM 284 CB LEU A 19 -3.480 8.984 -24.281 1.00 72.22 C ATOM 285 CG LEU A 19 -2.579 8.356 -23.217 1.00 15.53 C ATOM 286 CD1 LEU A 19 -3.410 7.836 -22.054 1.00 71.31 C ATOM 287 CD2 LEU A 19 -1.741 7.238 -23.819 1.00 12.22 C ATOM 0 H LEU A 19 -4.740 10.201 -26.035 1.00 41.25 H new ATOM 0 HA LEU A 19 -2.697 10.985 -24.190 1.00 72.53 H new ATOM 0 HB2 LEU A 19 -4.440 9.221 -23.822 1.00 72.22 H new ATOM 0 HB3 LEU A 19 -3.671 8.238 -25.053 1.00 72.22 H new ATOM 0 HG LEU A 19 -1.904 9.125 -22.840 1.00 15.53 H new ATOM 0 HD11 LEU A 19 -2.752 7.392 -21.306 1.00 71.31 H new ATOM 0 HD12 LEU A 19 -3.965 8.660 -21.606 1.00 71.31 H new ATOM 0 HD13 LEU A 19 -4.109 7.082 -22.415 1.00 71.31 H new ATOM 0 HD21 LEU A 19 -1.106 6.803 -23.047 1.00 12.22 H new ATOM 0 HD22 LEU A 19 -2.398 6.469 -24.224 1.00 12.22 H new ATOM 0 HD23 LEU A 19 -1.117 7.640 -24.617 1.00 12.22 H new ATOM 299 N LEU A 20 -0.528 10.272 -25.165 1.00 25.22 N ATOM 300 CA LEU A 20 0.757 10.014 -25.806 1.00 42.11 C ATOM 301 C LEU A 20 1.207 8.576 -25.566 1.00 50.50 C ATOM 302 O LEU A 20 1.322 7.787 -26.503 1.00 42.22 O ATOM 303 CB LEU A 20 1.815 10.986 -25.281 1.00 65.03 C ATOM 304 CG LEU A 20 1.490 12.473 -25.424 1.00 4.32 C ATOM 305 CD1 LEU A 20 2.498 13.316 -24.657 1.00 71.31 C ATOM 306 CD2 LEU A 20 1.463 12.875 -26.891 1.00 44.13 C ATOM 0 H LEU A 20 -0.462 10.736 -24.259 1.00 25.22 H new ATOM 0 HA LEU A 20 0.636 10.163 -26.879 1.00 42.11 H new ATOM 0 HB2 LEU A 20 1.985 10.772 -24.226 1.00 65.03 H new ATOM 0 HB3 LEU A 20 2.752 10.788 -25.801 1.00 65.03 H new ATOM 0 HG LEU A 20 0.501 12.651 -25.001 1.00 4.32 H new ATOM 0 HD11 LEU A 20 2.251 14.372 -24.770 1.00 71.31 H new ATOM 0 HD12 LEU A 20 2.468 13.048 -23.601 1.00 71.31 H new ATOM 0 HD13 LEU A 20 3.498 13.134 -25.049 1.00 71.31 H new ATOM 0 HD21 LEU A 20 1.230 13.937 -26.973 1.00 44.13 H new ATOM 0 HD22 LEU A 20 2.438 12.682 -27.339 1.00 44.13 H new ATOM 0 HD23 LEU A 20 0.702 12.295 -27.413 1.00 44.13 H new ATOM 318 N MET A 21 1.458 8.243 -24.304 1.00 54.21 N ATOM 319 CA MET A 21 1.891 6.899 -23.941 1.00 3.12 C ATOM 320 C MET A 21 2.088 6.780 -22.433 1.00 0.42 C ATOM 321 O MET A 21 2.251 7.783 -21.738 1.00 0.44 O ATOM 322 CB MET A 21 3.191 6.546 -24.666 1.00 4.21 C ATOM 323 CG MET A 21 3.107 5.261 -25.473 1.00 43.25 C ATOM 324 SD MET A 21 4.663 4.350 -25.493 1.00 41.24 S ATOM 325 CE MET A 21 4.200 2.911 -26.454 1.00 24.34 C ATOM 0 H MET A 21 1.369 8.885 -23.516 1.00 54.21 H new ATOM 0 HA MET A 21 1.112 6.199 -24.244 1.00 3.12 H new ATOM 0 HB2 MET A 21 3.461 7.366 -25.331 1.00 4.21 H new ATOM 0 HB3 MET A 21 3.993 6.453 -23.933 1.00 4.21 H new ATOM 0 HG2 MET A 21 2.324 4.626 -25.058 1.00 43.25 H new ATOM 0 HG3 MET A 21 2.816 5.498 -26.496 1.00 43.25 H new ATOM 0 HE1 MET A 21 5.060 2.249 -26.555 1.00 24.34 H new ATOM 0 HE2 MET A 21 3.391 2.382 -25.950 1.00 24.34 H new ATOM 0 HE3 MET A 21 3.867 3.226 -27.443 1.00 24.34 H new ATOM 335 N TYR A 22 2.071 5.549 -21.934 1.00 3.52 N ATOM 336 CA TYR A 22 2.245 5.301 -20.508 1.00 21.53 C ATOM 337 C TYR A 22 3.725 5.217 -20.146 1.00 12.55 C ATOM 338 O TYR A 22 4.553 4.806 -20.958 1.00 71.41 O ATOM 339 CB TYR A 22 1.537 4.006 -20.104 1.00 55.34 C ATOM 340 CG TYR A 22 0.030 4.129 -20.060 1.00 42.14 C ATOM 341 CD1 TYR A 22 -0.739 3.893 -21.193 1.00 14.22 C ATOM 342 CD2 TYR A 22 -0.624 4.480 -18.886 1.00 4.34 C ATOM 343 CE1 TYR A 22 -2.116 4.005 -21.157 1.00 42.10 C ATOM 344 CE2 TYR A 22 -2.000 4.593 -18.840 1.00 43.12 C ATOM 345 CZ TYR A 22 -2.741 4.355 -19.979 1.00 13.04 C ATOM 346 OH TYR A 22 -4.112 4.466 -19.939 1.00 13.15 O ATOM 0 H TYR A 22 1.939 4.708 -22.496 1.00 3.52 H new ATOM 0 HA TYR A 22 1.802 6.135 -19.964 1.00 21.53 H new ATOM 0 HB2 TYR A 22 1.809 3.219 -20.807 1.00 55.34 H new ATOM 0 HB3 TYR A 22 1.897 3.696 -19.123 1.00 55.34 H new ATOM 0 HD1 TYR A 22 -0.253 3.617 -22.117 1.00 14.22 H new ATOM 0 HD2 TYR A 22 -0.046 4.668 -17.993 1.00 4.34 H new ATOM 0 HE1 TYR A 22 -2.699 3.819 -22.047 1.00 42.10 H new ATOM 0 HE2 TYR A 22 -2.492 4.866 -17.918 1.00 43.12 H new ATOM 0 HH TYR A 22 -4.393 4.719 -19.035 1.00 13.15 H new ATOM 356 N VAL A 23 4.050 5.612 -18.918 1.00 60.43 N ATOM 357 CA VAL A 23 5.429 5.581 -18.446 1.00 30.23 C ATOM 358 C VAL A 23 5.533 4.875 -17.099 1.00 34.53 C ATOM 359 O VAL A 23 5.103 5.404 -16.074 1.00 11.42 O ATOM 360 CB VAL A 23 6.009 7.002 -18.314 1.00 60.41 C ATOM 361 CG1 VAL A 23 7.456 6.947 -17.849 1.00 21.33 C ATOM 362 CG2 VAL A 23 5.893 7.748 -19.634 1.00 52.52 C ATOM 0 H VAL A 23 3.377 5.957 -18.233 1.00 60.43 H new ATOM 0 HA VAL A 23 6.005 5.029 -19.188 1.00 30.23 H new ATOM 0 HB VAL A 23 5.432 7.543 -17.564 1.00 60.41 H new ATOM 0 HG11 VAL A 23 7.849 7.960 -17.762 1.00 21.33 H new ATOM 0 HG12 VAL A 23 7.508 6.453 -16.879 1.00 21.33 H new ATOM 0 HG13 VAL A 23 8.050 6.389 -18.573 1.00 21.33 H new ATOM 0 HG21 VAL A 23 6.307 8.750 -19.523 1.00 52.52 H new ATOM 0 HG22 VAL A 23 6.445 7.211 -20.405 1.00 52.52 H new ATOM 0 HG23 VAL A 23 4.844 7.819 -19.921 1.00 52.52 H new ATOM 372 N ARG A 24 6.106 3.676 -17.108 1.00 31.41 N ATOM 373 CA ARG A 24 6.266 2.896 -15.887 1.00 34.35 C ATOM 374 C ARG A 24 7.361 3.486 -15.004 1.00 2.23 C ATOM 375 O ARG A 24 8.394 3.938 -15.499 1.00 3.15 O ATOM 376 CB ARG A 24 6.597 1.441 -16.225 1.00 1.03 C ATOM 377 CG ARG A 24 6.522 0.505 -15.029 1.00 52.42 C ATOM 378 CD ARG A 24 6.607 -0.952 -15.456 1.00 12.32 C ATOM 379 NE ARG A 24 7.880 -1.559 -15.078 1.00 70.30 N ATOM 380 CZ ARG A 24 8.142 -2.855 -15.204 1.00 72.51 C ATOM 381 NH1 ARG A 24 7.224 -3.676 -15.696 1.00 14.11 N ATOM 382 NH2 ARG A 24 9.324 -3.333 -14.838 1.00 63.32 N ATOM 0 H ARG A 24 6.467 3.224 -17.948 1.00 31.41 H new ATOM 0 HA ARG A 24 5.324 2.929 -15.339 1.00 34.35 H new ATOM 0 HB2 ARG A 24 5.909 1.090 -16.994 1.00 1.03 H new ATOM 0 HB3 ARG A 24 7.600 1.395 -16.650 1.00 1.03 H new ATOM 0 HG2 ARG A 24 7.334 0.731 -14.338 1.00 52.42 H new ATOM 0 HG3 ARG A 24 5.589 0.674 -14.491 1.00 52.42 H new ATOM 0 HD2 ARG A 24 5.789 -1.511 -15.001 1.00 12.32 H new ATOM 0 HD3 ARG A 24 6.479 -1.021 -16.536 1.00 12.32 H new ATOM 0 HE ARG A 24 8.608 -0.955 -14.696 1.00 70.30 H new ATOM 0 HH11 ARG A 24 6.314 -3.313 -15.979 1.00 14.11 H new ATOM 0 HH12 ARG A 24 7.428 -4.671 -15.792 1.00 14.11 H new ATOM 0 HH21 ARG A 24 10.033 -2.705 -14.459 1.00 63.32 H new ATOM 0 HH22 ARG A 24 9.524 -4.328 -14.935 1.00 63.32 H new ATOM 396 N ILE A 25 7.128 3.479 -13.696 1.00 13.33 N ATOM 397 CA ILE A 25 8.095 4.014 -12.745 1.00 33.52 C ATOM 398 C ILE A 25 9.189 2.995 -12.443 1.00 11.32 C ATOM 399 O ILE A 25 9.412 2.632 -11.289 1.00 20.12 O ATOM 400 CB ILE A 25 7.417 4.428 -11.426 1.00 12.34 C ATOM 401 CG1 ILE A 25 6.149 5.236 -11.710 1.00 74.43 C ATOM 402 CG2 ILE A 25 8.380 5.231 -10.565 1.00 4.34 C ATOM 403 CD1 ILE A 25 6.409 6.528 -12.452 1.00 11.10 C ATOM 0 H ILE A 25 6.278 3.109 -13.270 1.00 13.33 H new ATOM 0 HA ILE A 25 8.539 4.895 -13.208 1.00 33.52 H new ATOM 0 HB ILE A 25 7.137 3.527 -10.881 1.00 12.34 H new ATOM 0 HG12 ILE A 25 5.461 4.624 -12.293 1.00 74.43 H new ATOM 0 HG13 ILE A 25 5.653 5.462 -10.766 1.00 74.43 H new ATOM 0 HG21 ILE A 25 7.886 5.516 -9.636 1.00 4.34 H new ATOM 0 HG22 ILE A 25 9.257 4.625 -10.338 1.00 4.34 H new ATOM 0 HG23 ILE A 25 8.688 6.128 -11.103 1.00 4.34 H new ATOM 0 HD11 ILE A 25 5.466 7.048 -12.619 1.00 11.10 H new ATOM 0 HD12 ILE A 25 7.072 7.160 -11.861 1.00 11.10 H new ATOM 0 HD13 ILE A 25 6.877 6.309 -13.412 1.00 11.10 H new ATOM 415 N GLY A 26 9.871 2.539 -13.489 1.00 52.34 N ATOM 416 CA GLY A 26 10.935 1.568 -13.315 1.00 43.42 C ATOM 417 C GLY A 26 12.231 2.005 -13.970 1.00 32.10 C ATOM 418 O GLY A 26 13.318 1.702 -13.477 1.00 0.32 O ATOM 0 H GLY A 26 9.706 2.825 -14.454 1.00 52.34 H new ATOM 0 HA2 GLY A 26 11.106 1.407 -12.251 1.00 43.42 H new ATOM 0 HA3 GLY A 26 10.623 0.612 -13.736 1.00 43.42 H new ATOM 422 N THR A 27 12.117 2.718 -15.087 1.00 22.35 N ATOM 423 CA THR A 27 13.288 3.194 -15.812 1.00 2.03 C ATOM 424 C THR A 27 12.986 4.492 -16.551 1.00 43.24 C ATOM 425 O THR A 27 11.841 4.943 -16.595 1.00 30.10 O ATOM 426 CB THR A 27 13.788 2.145 -16.823 1.00 22.25 C ATOM 427 OG1 THR A 27 15.047 2.553 -17.370 1.00 21.54 O ATOM 428 CG2 THR A 27 12.780 1.952 -17.945 1.00 62.24 C ATOM 0 H THR A 27 11.225 2.978 -15.509 1.00 22.35 H new ATOM 0 HA THR A 27 14.067 3.373 -15.071 1.00 2.03 H new ATOM 0 HB THR A 27 13.910 1.197 -16.299 1.00 22.25 H new ATOM 0 HG1 THR A 27 15.359 1.880 -18.010 1.00 21.54 H new ATOM 0 HG21 THR A 27 13.155 1.207 -18.647 1.00 62.24 H new ATOM 0 HG22 THR A 27 11.832 1.613 -17.528 1.00 62.24 H new ATOM 0 HG23 THR A 27 12.630 2.898 -18.466 1.00 62.24 H new ATOM 436 N THR A 28 14.021 5.091 -17.134 1.00 32.42 N ATOM 437 CA THR A 28 13.866 6.338 -17.872 1.00 22.22 C ATOM 438 C THR A 28 13.729 6.078 -19.368 1.00 11.24 C ATOM 439 O THR A 28 14.581 5.431 -19.976 1.00 10.15 O ATOM 440 CB THR A 28 15.059 7.283 -17.634 1.00 11.03 C ATOM 441 OG1 THR A 28 16.288 6.597 -17.897 1.00 71.01 O ATOM 442 CG2 THR A 28 15.059 7.804 -16.205 1.00 5.35 C ATOM 0 H THR A 28 14.975 4.732 -17.109 1.00 32.42 H new ATOM 0 HA THR A 28 12.957 6.813 -17.504 1.00 22.22 H new ATOM 0 HB THR A 28 14.964 8.130 -18.313 1.00 11.03 H new ATOM 0 HG1 THR A 28 16.149 5.939 -18.610 1.00 71.01 H new ATOM 0 HG21 THR A 28 15.910 8.469 -16.060 1.00 5.35 H new ATOM 0 HG22 THR A 28 14.135 8.351 -16.017 1.00 5.35 H new ATOM 0 HG23 THR A 28 15.132 6.966 -15.512 1.00 5.35 H new ATOM 450 N ALA A 29 12.651 6.588 -19.955 1.00 63.44 N ATOM 451 CA ALA A 29 12.404 6.413 -21.381 1.00 63.22 C ATOM 452 C ALA A 29 12.146 7.753 -22.062 1.00 21.40 C ATOM 453 O ALA A 29 12.061 8.790 -21.403 1.00 70.24 O ATOM 454 CB ALA A 29 11.229 5.471 -21.602 1.00 5.41 C ATOM 0 H ALA A 29 11.935 7.125 -19.465 1.00 63.44 H new ATOM 0 HA ALA A 29 13.296 5.974 -21.828 1.00 63.22 H new ATOM 0 HB1 ALA A 29 11.056 5.350 -22.671 1.00 5.41 H new ATOM 0 HB2 ALA A 29 11.452 4.501 -21.158 1.00 5.41 H new ATOM 0 HB3 ALA A 29 10.336 5.887 -21.135 1.00 5.41 H new ATOM 460 N THR A 30 12.023 7.725 -23.385 1.00 71.15 N ATOM 461 CA THR A 30 11.776 8.937 -24.156 1.00 4.33 C ATOM 462 C THR A 30 10.450 8.855 -24.902 1.00 34.43 C ATOM 463 O THR A 30 10.037 7.779 -25.336 1.00 21.43 O ATOM 464 CB THR A 30 12.907 9.199 -25.169 1.00 73.40 C ATOM 465 OG1 THR A 30 14.160 8.770 -24.626 1.00 4.02 O ATOM 466 CG2 THR A 30 12.982 10.675 -25.527 1.00 53.22 C ATOM 0 H THR A 30 12.090 6.875 -23.945 1.00 71.15 H new ATOM 0 HA THR A 30 11.738 9.761 -23.444 1.00 4.33 H new ATOM 0 HB THR A 30 12.691 8.633 -26.075 1.00 73.40 H new ATOM 0 HG1 THR A 30 14.707 9.553 -24.407 1.00 4.02 H new ATOM 0 HG21 THR A 30 13.788 10.835 -26.243 1.00 53.22 H new ATOM 0 HG22 THR A 30 12.036 10.991 -25.968 1.00 53.22 H new ATOM 0 HG23 THR A 30 13.176 11.258 -24.627 1.00 53.22 H new ATOM 474 N ILE A 31 9.786 9.997 -25.048 1.00 63.50 N ATOM 475 CA ILE A 31 8.507 10.052 -25.744 1.00 13.32 C ATOM 476 C ILE A 31 8.608 10.887 -27.016 1.00 5.23 C ATOM 477 O ILE A 31 9.329 11.885 -27.062 1.00 21.24 O ATOM 478 CB ILE A 31 7.402 10.639 -24.845 1.00 3.21 C ATOM 479 CG1 ILE A 31 7.337 9.880 -23.518 1.00 5.31 C ATOM 480 CG2 ILE A 31 6.058 10.589 -25.556 1.00 43.21 C ATOM 481 CD1 ILE A 31 6.347 10.464 -22.536 1.00 15.34 C ATOM 0 H ILE A 31 10.113 10.896 -24.694 1.00 63.50 H new ATOM 0 HA ILE A 31 8.246 9.026 -26.005 1.00 13.32 H new ATOM 0 HB ILE A 31 7.641 11.681 -24.635 1.00 3.21 H new ATOM 0 HG12 ILE A 31 7.071 8.842 -23.715 1.00 5.31 H new ATOM 0 HG13 ILE A 31 8.327 9.874 -23.063 1.00 5.31 H new ATOM 0 HG21 ILE A 31 5.288 11.007 -24.908 1.00 43.21 H new ATOM 0 HG22 ILE A 31 6.112 11.169 -26.477 1.00 43.21 H new ATOM 0 HG23 ILE A 31 5.810 9.554 -25.793 1.00 43.21 H new ATOM 0 HD11 ILE A 31 6.354 9.876 -21.619 1.00 15.34 H new ATOM 0 HD12 ILE A 31 6.624 11.494 -22.309 1.00 15.34 H new ATOM 0 HD13 ILE A 31 5.348 10.445 -22.971 1.00 15.34 H new ATOM 493 N THR A 32 7.880 10.474 -28.048 1.00 63.24 N ATOM 494 CA THR A 32 7.887 11.183 -29.321 1.00 45.25 C ATOM 495 C THR A 32 6.542 11.849 -29.587 1.00 44.43 C ATOM 496 O THR A 32 5.531 11.174 -29.773 1.00 54.11 O ATOM 497 CB THR A 32 8.218 10.236 -30.490 1.00 44.34 C ATOM 498 OG1 THR A 32 9.383 9.463 -30.180 1.00 33.33 O ATOM 499 CG2 THR A 32 8.452 11.021 -31.773 1.00 31.42 C ATOM 0 H THR A 32 7.277 9.651 -28.027 1.00 63.24 H new ATOM 0 HA THR A 32 8.661 11.948 -29.252 1.00 45.25 H new ATOM 0 HB THR A 32 7.369 9.569 -30.640 1.00 44.34 H new ATOM 0 HG1 THR A 32 9.586 8.862 -30.927 1.00 33.33 H new ATOM 0 HG21 THR A 32 8.684 10.331 -32.584 1.00 31.42 H new ATOM 0 HG22 THR A 32 7.554 11.586 -32.023 1.00 31.42 H new ATOM 0 HG23 THR A 32 9.286 11.709 -31.632 1.00 31.42 H new ATOM 507 N ALA A 33 6.539 13.178 -29.605 1.00 14.34 N ATOM 508 CA ALA A 33 5.318 13.936 -29.851 1.00 32.43 C ATOM 509 C ALA A 33 5.613 15.219 -30.619 1.00 4.32 C ATOM 510 O ALA A 33 6.656 15.844 -30.424 1.00 64.25 O ATOM 511 CB ALA A 33 4.620 14.253 -28.537 1.00 11.45 C ATOM 0 H ALA A 33 7.368 13.752 -29.452 1.00 14.34 H new ATOM 0 HA ALA A 33 4.656 13.323 -30.462 1.00 32.43 H new ATOM 0 HB1 ALA A 33 3.710 14.819 -28.736 1.00 11.45 H new ATOM 0 HB2 ALA A 33 4.365 13.324 -28.027 1.00 11.45 H new ATOM 0 HB3 ALA A 33 5.284 14.843 -27.905 1.00 11.45 H new ATOM 517 N ARG A 34 4.690 15.607 -31.492 1.00 15.11 N ATOM 518 CA ARG A 34 4.853 16.816 -32.291 1.00 32.33 C ATOM 519 C ARG A 34 6.194 16.810 -33.018 1.00 23.22 C ATOM 520 O ARG A 34 6.856 17.841 -33.130 1.00 13.01 O ATOM 521 CB ARG A 34 4.747 18.057 -31.403 1.00 40.33 C ATOM 522 CG ARG A 34 3.317 18.442 -31.062 1.00 53.23 C ATOM 523 CD ARG A 34 3.067 19.924 -31.297 1.00 25.20 C ATOM 524 NE ARG A 34 2.450 20.176 -32.596 1.00 74.11 N ATOM 525 CZ ARG A 34 2.455 21.362 -33.195 1.00 23.41 C ATOM 526 NH1 ARG A 34 3.044 22.398 -32.615 1.00 10.35 N ATOM 527 NH2 ARG A 34 1.872 21.512 -34.377 1.00 52.10 N ATOM 0 H ARG A 34 3.821 15.102 -31.664 1.00 15.11 H new ATOM 0 HA ARG A 34 4.057 16.841 -33.035 1.00 32.33 H new ATOM 0 HB2 ARG A 34 5.297 17.880 -30.479 1.00 40.33 H new ATOM 0 HB3 ARG A 34 5.230 18.895 -31.905 1.00 40.33 H new ATOM 0 HG2 ARG A 34 2.627 17.855 -31.668 1.00 53.23 H new ATOM 0 HG3 ARG A 34 3.112 18.198 -30.019 1.00 53.23 H new ATOM 0 HD2 ARG A 34 2.423 20.312 -30.508 1.00 25.20 H new ATOM 0 HD3 ARG A 34 4.011 20.465 -31.233 1.00 25.20 H new ATOM 0 HE ARG A 34 1.990 19.399 -33.070 1.00 74.11 H new ATOM 0 HH11 ARG A 34 3.495 22.286 -31.707 1.00 10.35 H new ATOM 0 HH12 ARG A 34 3.047 23.307 -33.077 1.00 10.35 H new ATOM 0 HH21 ARG A 34 1.419 20.716 -34.827 1.00 52.10 H new ATOM 0 HH22 ARG A 34 1.876 22.423 -34.836 1.00 52.10 H new ATOM 541 N GLY A 35 6.590 15.640 -33.510 1.00 71.40 N ATOM 542 CA GLY A 35 7.850 15.521 -34.219 1.00 44.23 C ATOM 543 C GLY A 35 9.039 15.892 -33.355 1.00 21.22 C ATOM 544 O GLY A 35 10.084 16.297 -33.864 1.00 44.14 O ATOM 0 H GLY A 35 6.060 14.772 -33.430 1.00 71.40 H new ATOM 0 HA2 GLY A 35 7.968 14.497 -34.574 1.00 44.23 H new ATOM 0 HA3 GLY A 35 7.830 16.163 -35.099 1.00 44.23 H new ATOM 548 N HIS A 36 8.880 15.755 -32.042 1.00 70.32 N ATOM 549 CA HIS A 36 9.949 16.079 -31.104 1.00 50.44 C ATOM 550 C HIS A 36 10.130 14.964 -30.079 1.00 53.12 C ATOM 551 O HIS A 36 9.204 14.198 -29.813 1.00 65.22 O ATOM 552 CB HIS A 36 9.648 17.399 -30.392 1.00 63.35 C ATOM 553 CG HIS A 36 10.875 18.183 -30.041 1.00 21.54 C ATOM 554 ND1 HIS A 36 11.638 17.924 -28.921 1.00 53.42 N ATOM 555 CD2 HIS A 36 11.472 19.223 -30.669 1.00 34.52 C ATOM 556 CE1 HIS A 36 12.649 18.773 -28.875 1.00 63.11 C ATOM 557 NE2 HIS A 36 12.572 19.571 -29.925 1.00 13.14 N ATOM 0 H HIS A 36 8.021 15.422 -31.604 1.00 70.32 H new ATOM 0 HA HIS A 36 10.876 16.182 -31.669 1.00 50.44 H new ATOM 0 HB2 HIS A 36 9.007 18.008 -31.029 1.00 63.35 H new ATOM 0 HB3 HIS A 36 9.086 17.191 -29.481 1.00 63.35 H new ATOM 0 HD1 HIS A 36 11.451 17.192 -28.236 1.00 53.42 H new ATOM 0 HD2 HIS A 36 11.144 19.692 -31.585 1.00 34.52 H new ATOM 0 HE1 HIS A 36 13.409 18.809 -28.109 1.00 63.11 H new ATOM 565 N GLU A 37 11.327 14.880 -29.508 1.00 63.23 N ATOM 566 CA GLU A 37 11.628 13.857 -28.514 1.00 24.32 C ATOM 567 C GLU A 37 11.714 14.465 -27.117 1.00 30.43 C ATOM 568 O GLU A 37 12.355 15.496 -26.914 1.00 41.04 O ATOM 569 CB GLU A 37 12.943 13.152 -28.857 1.00 35.24 C ATOM 570 CG GLU A 37 12.808 12.115 -29.959 1.00 55.01 C ATOM 571 CD GLU A 37 14.117 11.415 -30.265 1.00 22.42 C ATOM 572 OE1 GLU A 37 14.907 11.195 -29.323 1.00 42.12 O ATOM 573 OE2 GLU A 37 14.352 11.086 -31.447 1.00 34.23 O ATOM 0 H GLU A 37 12.104 15.508 -29.716 1.00 63.23 H new ATOM 0 HA GLU A 37 10.819 13.127 -28.525 1.00 24.32 H new ATOM 0 HB2 GLU A 37 13.677 13.898 -29.160 1.00 35.24 H new ATOM 0 HB3 GLU A 37 13.331 12.669 -27.960 1.00 35.24 H new ATOM 0 HG2 GLU A 37 12.064 11.374 -29.666 1.00 55.01 H new ATOM 0 HG3 GLU A 37 12.438 12.598 -30.864 1.00 55.01 H new ATOM 580 N PHE A 38 11.063 13.818 -26.156 1.00 34.13 N ATOM 581 CA PHE A 38 11.063 14.295 -24.778 1.00 30.45 C ATOM 582 C PHE A 38 11.473 13.182 -23.817 1.00 74.33 C ATOM 583 O PHE A 38 10.738 12.213 -23.624 1.00 43.44 O ATOM 584 CB PHE A 38 9.679 14.826 -24.399 1.00 41.41 C ATOM 585 CG PHE A 38 9.152 15.860 -25.354 1.00 23.45 C ATOM 586 CD1 PHE A 38 9.753 17.105 -25.448 1.00 35.14 C ATOM 587 CD2 PHE A 38 8.057 15.585 -26.157 1.00 45.41 C ATOM 588 CE1 PHE A 38 9.269 18.058 -26.324 1.00 62.44 C ATOM 589 CE2 PHE A 38 7.570 16.534 -27.036 1.00 51.12 C ATOM 590 CZ PHE A 38 8.177 17.771 -27.121 1.00 4.54 C ATOM 0 H PHE A 38 10.529 12.962 -26.306 1.00 34.13 H new ATOM 0 HA PHE A 38 11.789 15.104 -24.701 1.00 30.45 H new ATOM 0 HB2 PHE A 38 8.978 13.992 -24.355 1.00 41.41 H new ATOM 0 HB3 PHE A 38 9.725 15.257 -23.399 1.00 41.41 H new ATOM 0 HD1 PHE A 38 10.609 17.333 -24.830 1.00 35.14 H new ATOM 0 HD2 PHE A 38 7.579 14.619 -26.095 1.00 45.41 H new ATOM 0 HE1 PHE A 38 9.744 19.026 -26.386 1.00 62.44 H new ATOM 0 HE2 PHE A 38 6.715 16.308 -27.656 1.00 51.12 H new ATOM 0 HZ PHE A 38 7.799 18.513 -27.809 1.00 4.54 H new ATOM 600 N GLU A 39 12.651 13.328 -23.219 1.00 14.42 N ATOM 601 CA GLU A 39 13.159 12.335 -22.280 1.00 14.11 C ATOM 602 C GLU A 39 12.866 12.748 -20.840 1.00 64.22 C ATOM 603 O GLU A 39 13.541 13.613 -20.281 1.00 70.23 O ATOM 604 CB GLU A 39 14.665 12.143 -22.471 1.00 54.24 C ATOM 605 CG GLU A 39 15.203 10.875 -21.831 1.00 33.21 C ATOM 606 CD GLU A 39 16.517 10.426 -22.440 1.00 75.45 C ATOM 607 OE1 GLU A 39 16.506 9.976 -23.606 1.00 22.24 O ATOM 608 OE2 GLU A 39 17.554 10.523 -21.753 1.00 44.41 O ATOM 0 H GLU A 39 13.271 14.124 -23.368 1.00 14.42 H new ATOM 0 HA GLU A 39 12.652 11.391 -22.479 1.00 14.11 H new ATOM 0 HB2 GLU A 39 14.888 12.124 -23.538 1.00 54.24 H new ATOM 0 HB3 GLU A 39 15.188 13.002 -22.051 1.00 54.24 H new ATOM 0 HG2 GLU A 39 15.340 11.042 -20.763 1.00 33.21 H new ATOM 0 HG3 GLU A 39 14.467 10.078 -21.937 1.00 33.21 H new ATOM 615 N VAL A 40 11.855 12.123 -20.245 1.00 61.13 N ATOM 616 CA VAL A 40 11.473 12.424 -18.871 1.00 32.21 C ATOM 617 C VAL A 40 11.969 11.346 -17.914 1.00 22.12 C ATOM 618 O VAL A 40 12.356 10.257 -18.337 1.00 42.31 O ATOM 619 CB VAL A 40 9.945 12.556 -18.730 1.00 13.14 C ATOM 620 CG1 VAL A 40 9.428 13.708 -19.578 1.00 74.21 C ATOM 621 CG2 VAL A 40 9.260 11.252 -19.111 1.00 51.51 C ATOM 0 H VAL A 40 11.286 11.405 -20.693 1.00 61.13 H new ATOM 0 HA VAL A 40 11.938 13.376 -18.614 1.00 32.21 H new ATOM 0 HB VAL A 40 9.711 12.771 -17.687 1.00 13.14 H new ATOM 0 HG11 VAL A 40 8.347 13.786 -19.466 1.00 74.21 H new ATOM 0 HG12 VAL A 40 9.895 14.638 -19.252 1.00 74.21 H new ATOM 0 HG13 VAL A 40 9.672 13.527 -20.625 1.00 74.21 H new ATOM 0 HG21 VAL A 40 8.181 11.364 -19.005 1.00 51.51 H new ATOM 0 HG22 VAL A 40 9.500 11.004 -20.145 1.00 51.51 H new ATOM 0 HG23 VAL A 40 9.608 10.453 -18.456 1.00 51.51 H new ATOM 631 N GLU A 41 11.954 11.657 -16.621 1.00 44.25 N ATOM 632 CA GLU A 41 12.404 10.714 -15.604 1.00 52.21 C ATOM 633 C GLU A 41 11.283 10.404 -14.616 1.00 52.43 C ATOM 634 O GLU A 41 10.824 11.283 -13.887 1.00 34.32 O ATOM 635 CB GLU A 41 13.616 11.275 -14.857 1.00 60.23 C ATOM 636 CG GLU A 41 14.047 10.426 -13.673 1.00 12.43 C ATOM 637 CD GLU A 41 15.528 10.554 -13.372 1.00 34.33 C ATOM 638 OE1 GLU A 41 16.326 9.838 -14.012 1.00 21.22 O ATOM 639 OE2 GLU A 41 15.888 11.368 -12.497 1.00 11.33 O ATOM 0 H GLU A 41 11.635 12.554 -16.254 1.00 44.25 H new ATOM 0 HA GLU A 41 12.691 9.789 -16.104 1.00 52.21 H new ATOM 0 HB2 GLU A 41 14.451 11.365 -15.552 1.00 60.23 H new ATOM 0 HB3 GLU A 41 13.383 12.281 -14.507 1.00 60.23 H new ATOM 0 HG2 GLU A 41 13.474 10.719 -12.793 1.00 12.43 H new ATOM 0 HG3 GLU A 41 13.810 9.381 -13.874 1.00 12.43 H new ATOM 646 N ALA A 42 10.847 9.149 -14.600 1.00 12.02 N ATOM 647 CA ALA A 42 9.781 8.722 -13.702 1.00 1.14 C ATOM 648 C ALA A 42 10.348 8.207 -12.383 1.00 50.00 C ATOM 649 O ALA A 42 11.142 7.266 -12.362 1.00 2.43 O ATOM 650 CB ALA A 42 8.928 7.651 -14.366 1.00 3.41 C ATOM 0 H ALA A 42 11.216 8.410 -15.199 1.00 12.02 H new ATOM 0 HA ALA A 42 9.154 9.587 -13.485 1.00 1.14 H new ATOM 0 HB1 ALA A 42 8.136 7.342 -13.684 1.00 3.41 H new ATOM 0 HB2 ALA A 42 8.485 8.052 -15.278 1.00 3.41 H new ATOM 0 HB3 ALA A 42 9.551 6.791 -14.613 1.00 3.41 H new ATOM 656 N LYS A 43 9.936 8.829 -11.284 1.00 12.41 N ATOM 657 CA LYS A 43 10.402 8.434 -9.960 1.00 14.31 C ATOM 658 C LYS A 43 9.245 7.924 -9.106 1.00 41.21 C ATOM 659 O LYS A 43 9.437 7.099 -8.213 1.00 63.43 O ATOM 660 CB LYS A 43 11.082 9.614 -9.263 1.00 3.41 C ATOM 661 CG LYS A 43 12.467 9.290 -8.730 1.00 61.41 C ATOM 662 CD LYS A 43 12.791 10.102 -7.488 1.00 2.14 C ATOM 663 CE LYS A 43 14.109 9.667 -6.865 1.00 61.03 C ATOM 664 NZ LYS A 43 13.900 8.867 -5.626 1.00 43.54 N ATOM 0 H LYS A 43 9.280 9.610 -11.284 1.00 12.41 H new ATOM 0 HA LYS A 43 11.124 7.627 -10.082 1.00 14.31 H new ATOM 0 HB2 LYS A 43 11.157 10.445 -9.964 1.00 3.41 H new ATOM 0 HB3 LYS A 43 10.454 9.949 -8.438 1.00 3.41 H new ATOM 0 HG2 LYS A 43 12.529 8.227 -8.497 1.00 61.41 H new ATOM 0 HG3 LYS A 43 13.211 9.491 -9.501 1.00 61.41 H new ATOM 0 HD2 LYS A 43 12.841 11.160 -7.747 1.00 2.14 H new ATOM 0 HD3 LYS A 43 11.988 9.990 -6.759 1.00 2.14 H new ATOM 0 HE2 LYS A 43 14.675 9.078 -7.587 1.00 61.03 H new ATOM 0 HE3 LYS A 43 14.709 10.547 -6.632 1.00 61.03 H new ATOM 0 HZ1 LYS A 43 14.822 8.590 -5.232 1.00 43.54 H new ATOM 0 HZ2 LYS A 43 13.382 9.438 -4.927 1.00 43.54 H new ATOM 0 HZ3 LYS A 43 13.350 8.014 -5.852 1.00 43.54 H new ATOM 678 N ASP A 44 8.045 8.420 -9.387 1.00 60.30 N ATOM 679 CA ASP A 44 6.857 8.012 -8.646 1.00 71.03 C ATOM 680 C ASP A 44 5.617 8.729 -9.171 1.00 73.42 C ATOM 681 O ASP A 44 5.668 9.406 -10.197 1.00 43.40 O ATOM 682 CB ASP A 44 7.035 8.301 -7.155 1.00 43.20 C ATOM 683 CG ASP A 44 6.842 7.065 -6.298 1.00 54.44 C ATOM 684 OD1 ASP A 44 5.690 6.596 -6.187 1.00 0.13 O ATOM 685 OD2 ASP A 44 7.842 6.568 -5.739 1.00 14.10 O ATOM 0 H ASP A 44 7.869 9.105 -10.122 1.00 60.30 H new ATOM 0 HA ASP A 44 6.722 6.940 -8.786 1.00 71.03 H new ATOM 0 HB2 ASP A 44 8.032 8.707 -6.983 1.00 43.20 H new ATOM 0 HB3 ASP A 44 6.322 9.067 -6.849 1.00 43.20 H new ATOM 690 N GLN A 45 4.504 8.572 -8.461 1.00 41.31 N ATOM 691 CA GLN A 45 3.251 9.203 -8.857 1.00 53.31 C ATOM 692 C GLN A 45 3.444 10.698 -9.091 1.00 72.14 C ATOM 693 O GLN A 45 2.751 11.302 -9.909 1.00 0.33 O ATOM 694 CB GLN A 45 2.181 8.977 -7.788 1.00 31.45 C ATOM 695 CG GLN A 45 2.652 9.298 -6.378 1.00 53.44 C ATOM 696 CD GLN A 45 1.703 10.225 -5.644 1.00 4.34 C ATOM 697 OE1 GLN A 45 0.790 9.776 -4.951 1.00 74.25 O ATOM 698 NE2 GLN A 45 1.916 11.528 -5.790 1.00 61.22 N ATOM 0 H GLN A 45 4.445 8.014 -7.609 1.00 41.31 H new ATOM 0 HA GLN A 45 2.924 8.747 -9.791 1.00 53.31 H new ATOM 0 HB2 GLN A 45 1.311 9.592 -8.020 1.00 31.45 H new ATOM 0 HB3 GLN A 45 1.856 7.937 -7.826 1.00 31.45 H new ATOM 0 HG2 GLN A 45 2.758 8.371 -5.814 1.00 53.44 H new ATOM 0 HG3 GLN A 45 3.640 9.757 -6.424 1.00 53.44 H new ATOM 0 HE21 GLN A 45 2.685 11.857 -6.374 1.00 61.22 H new ATOM 0 HE22 GLN A 45 1.311 12.200 -5.318 1.00 61.22 H new ATOM 707 N ASN A 46 4.390 11.288 -8.368 1.00 31.21 N ATOM 708 CA ASN A 46 4.673 12.713 -8.497 1.00 24.45 C ATOM 709 C ASN A 46 5.552 12.985 -9.714 1.00 30.32 C ATOM 710 O ASN A 46 6.773 13.098 -9.599 1.00 52.33 O ATOM 711 CB ASN A 46 5.359 13.234 -7.232 1.00 23.51 C ATOM 712 CG ASN A 46 4.374 13.819 -6.239 1.00 52.43 C ATOM 713 OD1 ASN A 46 3.496 14.601 -6.606 1.00 62.25 O ATOM 714 ND2 ASN A 46 4.515 13.444 -4.973 1.00 62.45 N ATOM 0 H ASN A 46 4.973 10.802 -7.687 1.00 31.21 H new ATOM 0 HA ASN A 46 3.726 13.236 -8.631 1.00 24.45 H new ATOM 0 HB2 ASN A 46 5.908 12.420 -6.758 1.00 23.51 H new ATOM 0 HB3 ASN A 46 6.090 13.995 -7.506 1.00 23.51 H new ATOM 0 HD21 ASN A 46 3.882 13.806 -4.260 1.00 62.45 H new ATOM 0 HD22 ASN A 46 5.257 12.794 -4.713 1.00 62.45 H new ATOM 721 N CYS A 47 4.923 13.089 -10.879 1.00 75.24 N ATOM 722 CA CYS A 47 5.645 13.348 -12.119 1.00 22.32 C ATOM 723 C CYS A 47 5.436 14.787 -12.580 1.00 5.55 C ATOM 724 O CYS A 47 4.319 15.303 -12.555 1.00 51.43 O ATOM 725 CB CYS A 47 5.188 12.380 -13.212 1.00 23.41 C ATOM 726 SG CYS A 47 5.825 10.684 -13.017 1.00 30.01 S ATOM 0 H CYS A 47 3.913 12.998 -10.991 1.00 75.24 H new ATOM 0 HA CYS A 47 6.708 13.196 -11.929 1.00 22.32 H new ATOM 0 HB2 CYS A 47 4.099 12.349 -13.222 1.00 23.41 H new ATOM 0 HB3 CYS A 47 5.505 12.767 -14.181 1.00 23.41 H new ATOM 731 N LYS A 48 6.520 15.431 -13.000 1.00 3.34 N ATOM 732 CA LYS A 48 6.458 16.811 -13.468 1.00 30.32 C ATOM 733 C LYS A 48 7.111 16.950 -14.839 1.00 74.34 C ATOM 734 O LYS A 48 8.201 16.430 -15.075 1.00 24.44 O ATOM 735 CB LYS A 48 7.146 17.742 -12.467 1.00 51.11 C ATOM 736 CG LYS A 48 8.658 17.599 -12.443 1.00 32.44 C ATOM 737 CD LYS A 48 9.229 17.951 -11.080 1.00 4.14 C ATOM 738 CE LYS A 48 9.598 16.704 -10.291 1.00 5.34 C ATOM 739 NZ LYS A 48 11.071 16.579 -10.108 1.00 1.22 N ATOM 0 H LYS A 48 7.453 15.019 -13.026 1.00 3.34 H new ATOM 0 HA LYS A 48 5.408 17.092 -13.555 1.00 30.32 H new ATOM 0 HB2 LYS A 48 6.891 18.774 -12.709 1.00 51.11 H new ATOM 0 HB3 LYS A 48 6.755 17.542 -11.469 1.00 51.11 H new ATOM 0 HG2 LYS A 48 8.932 16.576 -12.700 1.00 32.44 H new ATOM 0 HG3 LYS A 48 9.098 18.247 -13.201 1.00 32.44 H new ATOM 0 HD2 LYS A 48 10.112 18.578 -11.205 1.00 4.14 H new ATOM 0 HD3 LYS A 48 8.500 18.535 -10.519 1.00 4.14 H new ATOM 0 HE2 LYS A 48 9.112 16.734 -9.316 1.00 5.34 H new ATOM 0 HE3 LYS A 48 9.220 15.822 -10.808 1.00 5.34 H new ATOM 0 HZ1 LYS A 48 11.282 15.717 -9.566 1.00 1.22 H new ATOM 0 HZ2 LYS A 48 11.533 16.524 -11.038 1.00 1.22 H new ATOM 0 HZ3 LYS A 48 11.428 17.408 -9.592 1.00 1.22 H new ATOM 753 N VAL A 49 6.437 17.656 -15.742 1.00 33.03 N ATOM 754 CA VAL A 49 6.952 17.866 -17.089 1.00 65.42 C ATOM 755 C VAL A 49 8.379 18.403 -17.054 1.00 71.42 C ATOM 756 O VAL A 49 8.602 19.582 -16.778 1.00 63.41 O ATOM 757 CB VAL A 49 6.067 18.844 -17.883 1.00 73.13 C ATOM 758 CG1 VAL A 49 4.781 18.162 -18.325 1.00 71.13 C ATOM 759 CG2 VAL A 49 5.765 20.082 -17.053 1.00 52.53 C ATOM 0 H VAL A 49 5.532 18.092 -15.564 1.00 33.03 H new ATOM 0 HA VAL A 49 6.943 16.896 -17.586 1.00 65.42 H new ATOM 0 HB VAL A 49 6.610 19.156 -18.775 1.00 73.13 H new ATOM 0 HG11 VAL A 49 4.168 18.869 -18.885 1.00 71.13 H new ATOM 0 HG12 VAL A 49 5.021 17.308 -18.959 1.00 71.13 H new ATOM 0 HG13 VAL A 49 4.231 17.820 -17.448 1.00 71.13 H new ATOM 0 HG21 VAL A 49 5.138 20.763 -17.629 1.00 52.53 H new ATOM 0 HG22 VAL A 49 5.242 19.791 -16.142 1.00 52.53 H new ATOM 0 HG23 VAL A 49 6.698 20.581 -16.792 1.00 52.53 H new ATOM 769 N ILE A 50 9.341 17.530 -17.336 1.00 54.24 N ATOM 770 CA ILE A 50 10.746 17.917 -17.339 1.00 12.42 C ATOM 771 C ILE A 50 11.563 17.015 -18.257 1.00 22.33 C ATOM 772 O ILE A 50 11.229 15.846 -18.455 1.00 35.00 O ATOM 773 CB ILE A 50 11.346 17.868 -15.921 1.00 71.33 C ATOM 774 CG1 ILE A 50 12.741 18.497 -15.912 1.00 15.01 C ATOM 775 CG2 ILE A 50 11.403 16.432 -15.420 1.00 43.25 C ATOM 776 CD1 ILE A 50 13.204 18.919 -14.535 1.00 72.01 C ATOM 0 H ILE A 50 9.173 16.550 -17.565 1.00 54.24 H new ATOM 0 HA ILE A 50 10.791 18.942 -17.708 1.00 12.42 H new ATOM 0 HB ILE A 50 10.705 18.441 -15.251 1.00 71.33 H new ATOM 0 HG12 ILE A 50 13.455 17.784 -16.324 1.00 15.01 H new ATOM 0 HG13 ILE A 50 12.743 19.366 -16.570 1.00 15.01 H new ATOM 0 HG21 ILE A 50 11.829 16.413 -14.417 1.00 43.25 H new ATOM 0 HG22 ILE A 50 10.396 16.015 -15.394 1.00 43.25 H new ATOM 0 HG23 ILE A 50 12.025 15.837 -16.089 1.00 43.25 H new ATOM 0 HD11 ILE A 50 14.200 19.356 -14.604 1.00 72.01 H new ATOM 0 HD12 ILE A 50 12.512 19.656 -14.128 1.00 72.01 H new ATOM 0 HD13 ILE A 50 13.235 18.049 -13.879 1.00 72.01 H new ATOM 788 N LEU A 51 12.637 17.563 -18.813 1.00 43.42 N ATOM 789 CA LEU A 51 13.505 16.807 -19.710 1.00 3.45 C ATOM 790 C LEU A 51 14.905 16.666 -19.121 1.00 44.51 C ATOM 791 O LEU A 51 15.362 17.523 -18.363 1.00 12.01 O ATOM 792 CB LEU A 51 13.580 17.491 -21.076 1.00 3.23 C ATOM 793 CG LEU A 51 12.270 18.071 -21.609 1.00 12.52 C ATOM 794 CD1 LEU A 51 12.533 18.972 -22.806 1.00 14.34 C ATOM 795 CD2 LEU A 51 11.305 16.955 -21.981 1.00 14.43 C ATOM 0 H LEU A 51 12.928 18.528 -18.659 1.00 43.42 H new ATOM 0 HA LEU A 51 13.080 15.811 -19.833 1.00 3.45 H new ATOM 0 HB2 LEU A 51 14.313 18.296 -21.017 1.00 3.23 H new ATOM 0 HB3 LEU A 51 13.956 16.769 -21.801 1.00 3.23 H new ATOM 0 HG LEU A 51 11.814 18.671 -20.822 1.00 12.52 H new ATOM 0 HD11 LEU A 51 11.589 19.376 -23.172 1.00 14.34 H new ATOM 0 HD12 LEU A 51 13.187 19.792 -22.508 1.00 14.34 H new ATOM 0 HD13 LEU A 51 13.012 18.395 -23.597 1.00 14.34 H new ATOM 0 HD21 LEU A 51 10.378 17.386 -22.358 1.00 14.43 H new ATOM 0 HD22 LEU A 51 11.754 16.328 -22.752 1.00 14.43 H new ATOM 0 HD23 LEU A 51 11.091 16.350 -21.100 1.00 14.43 H new ATOM 807 N THR A 52 15.585 15.581 -19.477 1.00 30.52 N ATOM 808 CA THR A 52 16.933 15.328 -18.985 1.00 65.44 C ATOM 809 C THR A 52 17.977 15.986 -19.880 1.00 63.34 C ATOM 810 O THR A 52 19.177 15.778 -19.706 1.00 43.23 O ATOM 811 CB THR A 52 17.226 13.818 -18.899 1.00 60.33 C ATOM 812 OG1 THR A 52 18.466 13.597 -18.218 1.00 11.12 O ATOM 813 CG2 THR A 52 17.287 13.198 -20.287 1.00 43.44 C ATOM 0 H THR A 52 15.224 14.863 -20.105 1.00 30.52 H new ATOM 0 HA THR A 52 16.991 15.759 -17.986 1.00 65.44 H new ATOM 0 HB THR A 52 16.417 13.345 -18.342 1.00 60.33 H new ATOM 0 HG1 THR A 52 19.134 14.239 -18.538 1.00 11.12 H new ATOM 0 HG21 THR A 52 17.495 12.132 -20.200 1.00 43.44 H new ATOM 0 HG22 THR A 52 16.332 13.341 -20.792 1.00 43.44 H new ATOM 0 HG23 THR A 52 18.078 13.676 -20.865 1.00 43.44 H new ATOM 821 N ASN A 53 17.512 16.781 -20.839 1.00 20.35 N ATOM 822 CA ASN A 53 18.407 17.470 -21.761 1.00 74.14 C ATOM 823 C ASN A 53 18.630 18.915 -21.326 1.00 32.14 C ATOM 824 O ASN A 53 18.829 19.801 -22.156 1.00 34.14 O ATOM 825 CB ASN A 53 17.835 17.436 -23.180 1.00 73.31 C ATOM 826 CG ASN A 53 18.892 17.695 -24.236 1.00 72.00 C ATOM 827 OD1 ASN A 53 20.067 17.383 -24.044 1.00 30.44 O ATOM 828 ND2 ASN A 53 18.477 18.269 -25.359 1.00 44.33 N ATOM 0 H ASN A 53 16.521 16.964 -20.997 1.00 20.35 H new ATOM 0 HA ASN A 53 19.367 16.954 -21.750 1.00 74.14 H new ATOM 0 HB2 ASN A 53 17.376 16.464 -23.360 1.00 73.31 H new ATOM 0 HB3 ASN A 53 17.046 18.183 -23.269 1.00 73.31 H new ATOM 0 HD21 ASN A 53 19.142 18.468 -26.106 1.00 44.33 H new ATOM 0 HD22 ASN A 53 17.493 18.511 -25.475 1.00 44.33 H new ATOM 835 N GLY A 54 18.596 19.145 -20.016 1.00 72.44 N ATOM 836 CA GLY A 54 18.796 20.483 -19.493 1.00 2.13 C ATOM 837 C GLY A 54 17.744 21.460 -19.980 1.00 24.23 C ATOM 838 O GLY A 54 17.981 22.667 -20.027 1.00 3.10 O ATOM 0 H GLY A 54 18.434 18.428 -19.309 1.00 72.44 H new ATOM 0 HA2 GLY A 54 18.780 20.450 -18.404 1.00 2.13 H new ATOM 0 HA3 GLY A 54 19.783 20.841 -19.787 1.00 2.13 H new ATOM 842 N LYS A 55 16.578 20.938 -20.345 1.00 64.30 N ATOM 843 CA LYS A 55 15.485 21.771 -20.832 1.00 23.12 C ATOM 844 C LYS A 55 14.158 21.341 -20.216 1.00 12.54 C ATOM 845 O LYS A 55 14.015 20.209 -19.755 1.00 3.44 O ATOM 846 CB LYS A 55 15.400 21.695 -22.358 1.00 14.21 C ATOM 847 CG LYS A 55 16.611 22.278 -23.065 1.00 11.42 C ATOM 848 CD LYS A 55 16.555 22.031 -24.563 1.00 53.20 C ATOM 849 CE LYS A 55 17.730 22.678 -25.279 1.00 45.11 C ATOM 850 NZ LYS A 55 19.021 22.022 -24.931 1.00 61.53 N ATOM 0 H LYS A 55 16.366 19.941 -20.313 1.00 64.30 H new ATOM 0 HA LYS A 55 15.686 22.801 -20.536 1.00 23.12 H new ATOM 0 HB2 LYS A 55 15.283 20.653 -22.655 1.00 14.21 H new ATOM 0 HB3 LYS A 55 14.507 22.223 -22.690 1.00 14.21 H new ATOM 0 HG2 LYS A 55 16.664 23.350 -22.874 1.00 11.42 H new ATOM 0 HG3 LYS A 55 17.520 21.836 -22.656 1.00 11.42 H new ATOM 0 HD2 LYS A 55 16.556 20.958 -24.756 1.00 53.20 H new ATOM 0 HD3 LYS A 55 15.621 22.426 -24.963 1.00 53.20 H new ATOM 0 HE2 LYS A 55 17.574 22.623 -26.356 1.00 45.11 H new ATOM 0 HE3 LYS A 55 17.778 23.735 -25.017 1.00 45.11 H new ATOM 0 HZ1 LYS A 55 19.783 22.423 -25.514 1.00 61.53 H new ATOM 0 HZ2 LYS A 55 19.233 22.184 -23.926 1.00 61.53 H new ATOM 0 HZ3 LYS A 55 18.950 21.000 -25.110 1.00 61.53 H new ATOM 864 N GLN A 56 13.190 22.252 -20.213 1.00 13.11 N ATOM 865 CA GLN A 56 11.874 21.966 -19.654 1.00 32.21 C ATOM 866 C GLN A 56 10.813 21.928 -20.749 1.00 64.14 C ATOM 867 O GLN A 56 10.916 22.636 -21.751 1.00 10.04 O ATOM 868 CB GLN A 56 11.503 23.015 -18.605 1.00 12.24 C ATOM 869 CG GLN A 56 11.337 24.414 -19.175 1.00 43.35 C ATOM 870 CD GLN A 56 11.654 25.498 -18.164 1.00 53.52 C ATOM 871 OE1 GLN A 56 12.819 25.808 -17.912 1.00 74.24 O ATOM 872 NE2 GLN A 56 10.615 26.083 -17.578 1.00 63.11 N ATOM 0 H GLN A 56 13.292 23.194 -20.591 1.00 13.11 H new ATOM 0 HA GLN A 56 11.915 20.986 -19.179 1.00 32.21 H new ATOM 0 HB2 GLN A 56 10.574 22.717 -18.119 1.00 12.24 H new ATOM 0 HB3 GLN A 56 12.274 23.035 -17.835 1.00 12.24 H new ATOM 0 HG2 GLN A 56 11.989 24.529 -20.041 1.00 43.35 H new ATOM 0 HG3 GLN A 56 10.313 24.539 -19.527 1.00 43.35 H new ATOM 0 HE21 GLN A 56 9.666 25.795 -17.817 1.00 63.11 H new ATOM 0 HE22 GLN A 56 10.766 26.820 -16.889 1.00 63.11 H new ATOM 881 N ALA A 57 9.796 21.097 -20.552 1.00 75.53 N ATOM 882 CA ALA A 57 8.716 20.968 -21.523 1.00 35.43 C ATOM 883 C ALA A 57 8.134 22.331 -21.882 1.00 5.03 C ATOM 884 O ALA A 57 8.297 23.312 -21.156 1.00 40.53 O ATOM 885 CB ALA A 57 7.626 20.053 -20.982 1.00 3.43 C ATOM 0 H ALA A 57 9.697 20.503 -19.729 1.00 75.53 H new ATOM 0 HA ALA A 57 9.128 20.528 -22.431 1.00 35.43 H new ATOM 0 HB1 ALA A 57 6.826 19.966 -21.717 1.00 3.43 H new ATOM 0 HB2 ALA A 57 8.045 19.067 -20.783 1.00 3.43 H new ATOM 0 HB3 ALA A 57 7.226 20.471 -20.058 1.00 3.43 H new ATOM 891 N PRO A 58 7.441 22.396 -23.028 1.00 11.41 N ATOM 892 CA PRO A 58 6.822 23.635 -23.509 1.00 51.00 C ATOM 893 C PRO A 58 5.635 24.061 -22.652 1.00 75.51 C ATOM 894 O PRO A 58 5.389 23.491 -21.589 1.00 35.13 O ATOM 895 CB PRO A 58 6.359 23.274 -24.923 1.00 0.32 C ATOM 896 CG PRO A 58 6.172 21.797 -24.895 1.00 34.34 C ATOM 897 CD PRO A 58 7.207 21.266 -23.942 1.00 42.02 C ATOM 0 HA PRO A 58 7.514 24.477 -23.474 1.00 51.00 H new ATOM 0 HB2 PRO A 58 5.431 23.786 -25.178 1.00 0.32 H new ATOM 0 HB3 PRO A 58 7.099 23.565 -25.668 1.00 0.32 H new ATOM 0 HG2 PRO A 58 5.167 21.537 -24.563 1.00 34.34 H new ATOM 0 HG3 PRO A 58 6.301 21.369 -25.889 1.00 34.34 H new ATOM 0 HD2 PRO A 58 6.848 20.386 -23.409 1.00 42.02 H new ATOM 0 HD3 PRO A 58 8.120 20.974 -24.462 1.00 42.02 H new ATOM 905 N ASP A 59 4.902 25.064 -23.122 1.00 35.13 N ATOM 906 CA ASP A 59 3.738 25.565 -22.399 1.00 22.33 C ATOM 907 C ASP A 59 2.505 24.721 -22.703 1.00 34.52 C ATOM 908 O ASP A 59 1.490 24.815 -22.012 1.00 2.12 O ATOM 909 CB ASP A 59 3.474 27.026 -22.764 1.00 42.23 C ATOM 910 CG ASP A 59 4.511 27.966 -22.180 1.00 71.40 C ATOM 911 OD1 ASP A 59 4.522 28.142 -20.944 1.00 24.15 O ATOM 912 OD2 ASP A 59 5.311 28.524 -22.959 1.00 62.31 O ATOM 0 H ASP A 59 5.093 25.546 -24.000 1.00 35.13 H new ATOM 0 HA ASP A 59 3.948 25.498 -21.331 1.00 22.33 H new ATOM 0 HB2 ASP A 59 3.464 27.130 -23.849 1.00 42.23 H new ATOM 0 HB3 ASP A 59 2.485 27.314 -22.407 1.00 42.23 H new ATOM 917 N TRP A 60 2.599 23.897 -23.741 1.00 11.35 N ATOM 918 CA TRP A 60 1.490 23.037 -24.137 1.00 14.13 C ATOM 919 C TRP A 60 1.752 21.590 -23.733 1.00 54.32 C ATOM 920 O TRP A 60 1.188 20.662 -24.313 1.00 74.45 O ATOM 921 CB TRP A 60 1.263 23.125 -25.647 1.00 0.32 C ATOM 922 CG TRP A 60 2.519 22.954 -26.447 1.00 12.41 C ATOM 923 CD1 TRP A 60 3.409 23.930 -26.793 1.00 42.31 C ATOM 924 CD2 TRP A 60 3.022 21.734 -27.002 1.00 10.22 C ATOM 925 NE1 TRP A 60 4.436 23.390 -27.530 1.00 14.30 N ATOM 926 CE2 TRP A 60 4.222 22.045 -27.671 1.00 71.31 C ATOM 927 CE3 TRP A 60 2.577 20.410 -26.997 1.00 30.43 C ATOM 928 CZ2 TRP A 60 4.979 21.078 -28.328 1.00 53.44 C ATOM 929 CZ3 TRP A 60 3.329 19.452 -27.650 1.00 21.23 C ATOM 930 CH2 TRP A 60 4.519 19.790 -28.307 1.00 63.55 C ATOM 0 H TRP A 60 3.432 23.807 -24.323 1.00 11.35 H new ATOM 0 HA TRP A 60 0.594 23.382 -23.622 1.00 14.13 H new ATOM 0 HB2 TRP A 60 0.544 22.361 -25.944 1.00 0.32 H new ATOM 0 HB3 TRP A 60 0.818 24.091 -25.885 1.00 0.32 H new ATOM 0 HD1 TRP A 60 3.319 24.973 -26.527 1.00 42.31 H new ATOM 0 HE1 TRP A 60 5.229 23.907 -27.910 1.00 14.30 H new ATOM 0 HE3 TRP A 60 1.661 20.140 -26.492 1.00 30.43 H new ATOM 0 HZ2 TRP A 60 5.897 21.336 -28.836 1.00 53.44 H new ATOM 0 HZ3 TRP A 60 2.994 18.425 -27.654 1.00 21.23 H new ATOM 0 HH2 TRP A 60 5.085 19.018 -28.807 1.00 63.55 H new ATOM 941 N LEU A 61 2.610 21.405 -22.736 1.00 73.12 N ATOM 942 CA LEU A 61 2.946 20.070 -22.255 1.00 22.43 C ATOM 943 C LEU A 61 2.474 19.874 -20.818 1.00 34.23 C ATOM 944 O LEU A 61 2.535 20.794 -20.003 1.00 20.11 O ATOM 945 CB LEU A 61 4.456 19.840 -22.343 1.00 71.51 C ATOM 946 CG LEU A 61 4.906 18.667 -23.215 1.00 63.01 C ATOM 947 CD1 LEU A 61 4.184 17.392 -22.809 1.00 71.34 C ATOM 948 CD2 LEU A 61 4.666 18.973 -24.686 1.00 40.22 C ATOM 0 H LEU A 61 3.085 22.162 -22.245 1.00 73.12 H new ATOM 0 HA LEU A 61 2.436 19.344 -22.888 1.00 22.43 H new ATOM 0 HB2 LEU A 61 4.920 20.749 -22.724 1.00 71.51 H new ATOM 0 HB3 LEU A 61 4.839 19.685 -21.334 1.00 71.51 H new ATOM 0 HG LEU A 61 5.975 18.518 -23.066 1.00 63.01 H new ATOM 0 HD11 LEU A 61 4.517 16.568 -23.440 1.00 71.34 H new ATOM 0 HD12 LEU A 61 4.407 17.164 -21.767 1.00 71.34 H new ATOM 0 HD13 LEU A 61 3.109 17.529 -22.928 1.00 71.34 H new ATOM 0 HD21 LEU A 61 4.992 18.127 -25.291 1.00 40.22 H new ATOM 0 HD22 LEU A 61 3.603 19.150 -24.852 1.00 40.22 H new ATOM 0 HD23 LEU A 61 5.230 19.861 -24.970 1.00 40.22 H new ATOM 960 N ALA A 62 2.004 18.668 -20.514 1.00 2.23 N ATOM 961 CA ALA A 62 1.526 18.350 -19.174 1.00 55.32 C ATOM 962 C ALA A 62 1.762 16.881 -18.841 1.00 10.10 C ATOM 963 O ALA A 62 2.110 16.085 -19.713 1.00 13.41 O ATOM 964 CB ALA A 62 0.048 18.691 -19.047 1.00 1.21 C ATOM 0 H ALA A 62 1.944 17.896 -21.178 1.00 2.23 H new ATOM 0 HA ALA A 62 2.090 18.952 -18.461 1.00 55.32 H new ATOM 0 HB1 ALA A 62 -0.296 18.449 -18.042 1.00 1.21 H new ATOM 0 HB2 ALA A 62 -0.097 19.755 -19.234 1.00 1.21 H new ATOM 0 HB3 ALA A 62 -0.522 18.114 -19.775 1.00 1.21 H new ATOM 970 N ALA A 63 1.572 16.528 -17.574 1.00 13.52 N ATOM 971 CA ALA A 63 1.763 15.155 -17.126 1.00 61.42 C ATOM 972 C ALA A 63 0.988 14.883 -15.841 1.00 60.34 C ATOM 973 O ALA A 63 1.183 15.561 -14.834 1.00 15.43 O ATOM 974 CB ALA A 63 3.243 14.867 -16.923 1.00 4.23 C ATOM 0 H ALA A 63 1.286 17.175 -16.839 1.00 13.52 H new ATOM 0 HA ALA A 63 1.377 14.490 -17.899 1.00 61.42 H new ATOM 0 HB1 ALA A 63 3.371 13.838 -16.588 1.00 4.23 H new ATOM 0 HB2 ALA A 63 3.774 15.011 -17.864 1.00 4.23 H new ATOM 0 HB3 ALA A 63 3.646 15.546 -16.171 1.00 4.23 H new ATOM 980 N GLU A 64 0.109 13.886 -15.886 1.00 11.54 N ATOM 981 CA GLU A 64 -0.696 13.527 -14.724 1.00 54.23 C ATOM 982 C GLU A 64 -0.397 12.100 -14.275 1.00 70.22 C ATOM 983 O GLU A 64 0.137 11.284 -15.028 1.00 12.54 O ATOM 984 CB GLU A 64 -2.186 13.671 -15.044 1.00 43.13 C ATOM 985 CG GLU A 64 -2.734 15.063 -14.778 1.00 22.01 C ATOM 986 CD GLU A 64 -3.997 15.042 -13.939 1.00 62.01 C ATOM 987 OE1 GLU A 64 -3.887 14.873 -12.707 1.00 1.15 O ATOM 988 OE2 GLU A 64 -5.095 15.194 -14.515 1.00 5.15 O ATOM 0 H GLU A 64 -0.063 13.314 -16.713 1.00 11.54 H new ATOM 0 HA GLU A 64 -0.439 14.207 -13.912 1.00 54.23 H new ATOM 0 HB2 GLU A 64 -2.350 13.419 -16.092 1.00 43.13 H new ATOM 0 HB3 GLU A 64 -2.748 12.949 -14.451 1.00 43.13 H new ATOM 0 HG2 GLU A 64 -1.975 15.657 -14.270 1.00 22.01 H new ATOM 0 HG3 GLU A 64 -2.941 15.555 -15.728 1.00 22.01 H new