USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 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= -0.0411 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 12 HIS : no HD1:sc= -0.662 X(o=-0.66,f=-0.5) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 178:sc= 0 (180deg=-0.0107) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.0786 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.91) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.698 USER MOD Single : A 53 ASN : amide:sc= -0.612 K(o=-0.61,f=-7.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-1.7e-05) USER MOD ----------------------------------------------------------------- ATOM 59 N PHE A 5 1.583 5.339 -10.823 1.00 53.53 N ATOM 60 CA PHE A 5 1.954 5.470 -12.227 1.00 43.14 C ATOM 61 C PHE A 5 1.745 6.901 -12.714 1.00 41.04 C ATOM 62 O PHE A 5 1.010 7.676 -12.102 1.00 5.52 O ATOM 63 CB PHE A 5 1.136 4.503 -13.086 1.00 25.35 C ATOM 64 CG PHE A 5 1.667 3.098 -13.076 1.00 64.33 C ATOM 65 CD1 PHE A 5 1.366 2.236 -12.034 1.00 70.10 C ATOM 66 CD2 PHE A 5 2.468 2.639 -14.110 1.00 23.13 C ATOM 67 CE1 PHE A 5 1.853 0.942 -12.023 1.00 14.24 C ATOM 68 CE2 PHE A 5 2.957 1.346 -14.104 1.00 4.22 C ATOM 69 CZ PHE A 5 2.650 0.497 -13.059 1.00 2.35 C ATOM 0 HA PHE A 5 3.012 5.223 -12.321 1.00 43.14 H new ATOM 0 HB2 PHE A 5 0.106 4.496 -12.731 1.00 25.35 H new ATOM 0 HB3 PHE A 5 1.117 4.869 -14.113 1.00 25.35 H new ATOM 0 HD1 PHE A 5 0.744 2.579 -11.221 1.00 70.10 H new ATOM 0 HD2 PHE A 5 2.713 3.299 -14.929 1.00 23.13 H new ATOM 0 HE1 PHE A 5 1.610 0.280 -11.205 1.00 14.24 H new ATOM 0 HE2 PHE A 5 3.579 1.000 -14.916 1.00 4.22 H new ATOM 0 HZ PHE A 5 3.033 -0.513 -13.052 1.00 2.35 H new ATOM 79 N CYS A 6 2.397 7.244 -13.820 1.00 52.34 N ATOM 80 CA CYS A 6 2.285 8.581 -14.391 1.00 14.31 C ATOM 81 C CYS A 6 1.876 8.513 -15.860 1.00 11.55 C ATOM 82 O CYS A 6 2.152 7.530 -16.547 1.00 52.43 O ATOM 83 CB CYS A 6 3.612 9.330 -14.253 1.00 53.15 C ATOM 84 SG CYS A 6 4.059 9.741 -12.536 1.00 64.40 S ATOM 0 H CYS A 6 3.009 6.614 -14.339 1.00 52.34 H new ATOM 0 HA CYS A 6 1.513 9.120 -13.842 1.00 14.31 H new ATOM 0 HB2 CYS A 6 4.406 8.724 -14.689 1.00 53.15 H new ATOM 0 HB3 CYS A 6 3.559 10.251 -14.834 1.00 53.15 H new ATOM 89 N VAL A 7 1.217 9.566 -16.334 1.00 34.22 N ATOM 90 CA VAL A 7 0.771 9.627 -17.721 1.00 12.24 C ATOM 91 C VAL A 7 1.197 10.935 -18.378 1.00 3.14 C ATOM 92 O VAL A 7 1.308 11.967 -17.716 1.00 10.35 O ATOM 93 CB VAL A 7 -0.760 9.488 -17.825 1.00 3.32 C ATOM 94 CG1 VAL A 7 -1.188 9.373 -19.280 1.00 3.51 C ATOM 95 CG2 VAL A 7 -1.241 8.289 -17.023 1.00 32.24 C ATOM 0 H VAL A 7 0.980 10.388 -15.778 1.00 34.22 H new ATOM 0 HA VAL A 7 1.241 8.792 -18.242 1.00 12.24 H new ATOM 0 HB VAL A 7 -1.218 10.384 -17.406 1.00 3.32 H new ATOM 0 HG11 VAL A 7 -2.272 9.276 -19.334 1.00 3.51 H new ATOM 0 HG12 VAL A 7 -0.877 10.266 -19.823 1.00 3.51 H new ATOM 0 HG13 VAL A 7 -0.722 8.495 -19.728 1.00 3.51 H new ATOM 0 HG21 VAL A 7 -2.325 8.206 -17.107 1.00 32.24 H new ATOM 0 HG22 VAL A 7 -0.776 7.382 -17.410 1.00 32.24 H new ATOM 0 HG23 VAL A 7 -0.968 8.418 -15.976 1.00 32.24 H new ATOM 105 N TYR A 8 1.435 10.885 -19.683 1.00 60.44 N ATOM 106 CA TYR A 8 1.852 12.065 -20.431 1.00 15.33 C ATOM 107 C TYR A 8 0.852 12.391 -21.536 1.00 60.24 C ATOM 108 O TYR A 8 0.383 11.501 -22.247 1.00 44.20 O ATOM 109 CB TYR A 8 3.242 11.850 -21.032 1.00 14.34 C ATOM 110 CG TYR A 8 4.176 13.023 -20.832 1.00 35.51 C ATOM 111 CD1 TYR A 8 4.403 13.547 -19.566 1.00 11.42 C ATOM 112 CD2 TYR A 8 4.831 13.605 -21.910 1.00 25.43 C ATOM 113 CE1 TYR A 8 5.255 14.619 -19.379 1.00 73.30 C ATOM 114 CE2 TYR A 8 5.686 14.675 -21.732 1.00 43.32 C ATOM 115 CZ TYR A 8 5.894 15.179 -20.465 1.00 41.01 C ATOM 116 OH TYR A 8 6.745 16.245 -20.283 1.00 54.40 O ATOM 0 H TYR A 8 1.346 10.039 -20.246 1.00 60.44 H new ATOM 0 HA TYR A 8 1.889 12.907 -19.740 1.00 15.33 H new ATOM 0 HB2 TYR A 8 3.688 10.961 -20.586 1.00 14.34 H new ATOM 0 HB3 TYR A 8 3.141 11.655 -22.100 1.00 14.34 H new ATOM 0 HD1 TYR A 8 3.905 13.109 -18.713 1.00 11.42 H new ATOM 0 HD2 TYR A 8 4.669 13.214 -22.904 1.00 25.43 H new ATOM 0 HE1 TYR A 8 5.419 15.016 -18.388 1.00 73.30 H new ATOM 0 HE2 TYR A 8 6.189 15.115 -22.580 1.00 43.32 H new ATOM 0 HH TYR A 8 7.114 16.520 -21.148 1.00 54.40 H new ATOM 126 N TYR A 9 0.531 13.672 -21.676 1.00 12.22 N ATOM 127 CA TYR A 9 -0.414 14.117 -22.693 1.00 72.12 C ATOM 128 C TYR A 9 0.177 15.248 -23.529 1.00 3.34 C ATOM 129 O TYR A 9 1.292 15.705 -23.275 1.00 12.43 O ATOM 130 CB TYR A 9 -1.719 14.578 -22.041 1.00 23.10 C ATOM 131 CG TYR A 9 -2.509 13.455 -21.408 1.00 21.10 C ATOM 132 CD1 TYR A 9 -3.404 12.701 -22.157 1.00 52.21 C ATOM 133 CD2 TYR A 9 -2.361 13.148 -20.061 1.00 13.20 C ATOM 134 CE1 TYR A 9 -4.129 11.675 -21.583 1.00 70.30 C ATOM 135 CE2 TYR A 9 -3.081 12.123 -19.479 1.00 23.41 C ATOM 136 CZ TYR A 9 -3.963 11.389 -20.244 1.00 34.02 C ATOM 137 OH TYR A 9 -4.683 10.367 -19.667 1.00 41.44 O ATOM 0 H TYR A 9 0.912 14.421 -21.098 1.00 12.22 H new ATOM 0 HA TYR A 9 -0.623 13.274 -23.351 1.00 72.12 H new ATOM 0 HB2 TYR A 9 -1.491 15.325 -21.280 1.00 23.10 H new ATOM 0 HB3 TYR A 9 -2.338 15.068 -22.793 1.00 23.10 H new ATOM 0 HD1 TYR A 9 -3.535 12.921 -23.206 1.00 52.21 H new ATOM 0 HD2 TYR A 9 -1.671 13.721 -19.459 1.00 13.20 H new ATOM 0 HE1 TYR A 9 -4.822 11.100 -22.179 1.00 70.30 H new ATOM 0 HE2 TYR A 9 -2.954 11.898 -18.430 1.00 23.41 H new ATOM 0 HH TYR A 9 -4.448 10.296 -18.718 1.00 41.44 H new ATOM 147 N ASP A 10 -0.578 15.695 -24.526 1.00 0.42 N ATOM 148 CA ASP A 10 -0.131 16.775 -25.399 1.00 31.41 C ATOM 149 C ASP A 10 -1.120 17.936 -25.377 1.00 3.11 C ATOM 150 O ASP A 10 -2.310 17.747 -25.130 1.00 21.13 O ATOM 151 CB ASP A 10 0.042 16.263 -26.830 1.00 1.11 C ATOM 152 CG ASP A 10 1.224 16.901 -27.534 1.00 30.54 C ATOM 153 OD1 ASP A 10 1.075 18.035 -28.035 1.00 61.44 O ATOM 154 OD2 ASP A 10 2.298 16.266 -27.582 1.00 21.22 O ATOM 0 H ASP A 10 -1.502 15.327 -24.750 1.00 0.42 H new ATOM 0 HA ASP A 10 0.830 17.133 -25.031 1.00 31.41 H new ATOM 0 HB2 ASP A 10 0.174 15.181 -26.812 1.00 1.11 H new ATOM 0 HB3 ASP A 10 -0.867 16.464 -27.397 1.00 1.11 H new ATOM 159 N GLY A 11 -0.617 19.140 -25.636 1.00 73.42 N ATOM 160 CA GLY A 11 -1.469 20.314 -25.640 1.00 15.21 C ATOM 161 C GLY A 11 -2.692 20.141 -26.519 1.00 62.04 C ATOM 162 O GLY A 11 -2.601 20.224 -27.745 1.00 1.33 O ATOM 0 H GLY A 11 0.365 19.322 -25.843 1.00 73.42 H new ATOM 0 HA2 GLY A 11 -1.786 20.532 -24.620 1.00 15.21 H new ATOM 0 HA3 GLY A 11 -0.896 21.174 -25.986 1.00 15.21 H new ATOM 166 N HIS A 12 -3.839 19.897 -25.894 1.00 53.41 N ATOM 167 CA HIS A 12 -5.086 19.711 -26.629 1.00 25.44 C ATOM 168 C HIS A 12 -6.275 19.651 -25.675 1.00 3.24 C ATOM 169 O HIS A 12 -6.265 18.899 -24.700 1.00 22.44 O ATOM 170 CB HIS A 12 -5.023 18.432 -27.464 1.00 62.33 C ATOM 171 CG HIS A 12 -4.755 18.678 -28.917 1.00 53.12 C ATOM 172 ND1 HIS A 12 -3.973 17.846 -29.690 1.00 2.40 N ATOM 173 CD2 HIS A 12 -5.173 19.670 -29.739 1.00 31.44 C ATOM 174 CE1 HIS A 12 -3.919 18.317 -30.923 1.00 73.54 C ATOM 175 NE2 HIS A 12 -4.640 19.422 -30.980 1.00 2.15 N ATOM 0 H HIS A 12 -3.932 19.823 -24.881 1.00 53.41 H new ATOM 0 HA HIS A 12 -5.219 20.565 -27.294 1.00 25.44 H new ATOM 0 HB2 HIS A 12 -4.243 17.785 -27.064 1.00 62.33 H new ATOM 0 HB3 HIS A 12 -5.966 17.895 -27.363 1.00 62.33 H new ATOM 0 HD2 HIS A 12 -5.807 20.501 -29.469 1.00 31.44 H new ATOM 0 HE1 HIS A 12 -3.377 17.874 -31.745 1.00 73.54 H new ATOM 0 HE2 HIS A 12 -4.778 19.998 -31.811 1.00 2.15 H new ATOM 183 N LEU A 13 -7.297 20.449 -25.961 1.00 52.33 N ATOM 184 CA LEU A 13 -8.494 20.488 -25.128 1.00 53.25 C ATOM 185 C LEU A 13 -9.033 19.082 -24.884 1.00 14.52 C ATOM 186 O LEU A 13 -8.719 18.136 -25.606 1.00 12.10 O ATOM 187 CB LEU A 13 -9.571 21.352 -25.788 1.00 63.13 C ATOM 188 CG LEU A 13 -9.753 22.756 -25.210 1.00 23.40 C ATOM 189 CD1 LEU A 13 -8.434 23.513 -25.223 1.00 53.40 C ATOM 190 CD2 LEU A 13 -10.816 23.519 -25.986 1.00 72.54 C ATOM 0 H LEU A 13 -7.321 21.078 -26.764 1.00 52.33 H new ATOM 0 HA LEU A 13 -8.224 20.926 -24.167 1.00 53.25 H new ATOM 0 HB2 LEU A 13 -9.335 21.445 -26.848 1.00 63.13 H new ATOM 0 HB3 LEU A 13 -10.523 20.826 -25.719 1.00 63.13 H new ATOM 0 HG LEU A 13 -10.085 22.662 -24.176 1.00 23.40 H new ATOM 0 HD11 LEU A 13 -8.583 24.510 -24.808 1.00 53.40 H new ATOM 0 HD12 LEU A 13 -7.700 22.976 -24.622 1.00 53.40 H new ATOM 0 HD13 LEU A 13 -8.073 23.597 -26.248 1.00 53.40 H new ATOM 0 HD21 LEU A 13 -10.932 24.516 -25.560 1.00 72.54 H new ATOM 0 HD22 LEU A 13 -10.514 23.603 -27.030 1.00 72.54 H new ATOM 0 HD23 LEU A 13 -11.765 22.986 -25.924 1.00 72.54 H new ATOM 202 N PRO A 14 -9.867 18.941 -23.842 1.00 62.03 N ATOM 203 CA PRO A 14 -10.470 17.655 -23.480 1.00 63.10 C ATOM 204 C PRO A 14 -11.507 17.193 -24.498 1.00 42.53 C ATOM 205 O PRO A 14 -11.994 16.065 -24.434 1.00 41.23 O ATOM 206 CB PRO A 14 -11.135 17.942 -22.132 1.00 11.32 C ATOM 207 CG PRO A 14 -11.404 19.408 -22.147 1.00 21.52 C ATOM 208 CD PRO A 14 -10.285 20.026 -22.939 1.00 30.24 C ATOM 0 HA PRO A 14 -9.731 16.854 -23.445 1.00 63.10 H new ATOM 0 HB2 PRO A 14 -12.056 17.372 -22.016 1.00 11.32 H new ATOM 0 HB3 PRO A 14 -10.483 17.667 -21.303 1.00 11.32 H new ATOM 0 HG2 PRO A 14 -12.370 19.623 -22.603 1.00 21.52 H new ATOM 0 HG3 PRO A 14 -11.434 19.810 -21.134 1.00 21.52 H new ATOM 0 HD2 PRO A 14 -10.621 20.903 -23.493 1.00 30.24 H new ATOM 0 HD3 PRO A 14 -9.468 20.350 -22.295 1.00 30.24 H new ATOM 216 N ALA A 15 -11.840 18.073 -25.437 1.00 45.12 N ATOM 217 CA ALA A 15 -12.817 17.755 -26.471 1.00 21.54 C ATOM 218 C ALA A 15 -12.238 16.782 -27.493 1.00 10.22 C ATOM 219 O ALA A 15 -12.935 15.894 -27.985 1.00 23.23 O ATOM 220 CB ALA A 15 -13.291 19.026 -27.158 1.00 53.14 C ATOM 0 H ALA A 15 -11.447 19.012 -25.503 1.00 45.12 H new ATOM 0 HA ALA A 15 -13.671 17.274 -25.994 1.00 21.54 H new ATOM 0 HB1 ALA A 15 -14.020 18.773 -27.928 1.00 53.14 H new ATOM 0 HB2 ALA A 15 -13.753 19.686 -26.424 1.00 53.14 H new ATOM 0 HB3 ALA A 15 -12.440 19.531 -27.616 1.00 53.14 H new ATOM 226 N THR A 16 -10.959 16.956 -27.810 1.00 4.13 N ATOM 227 CA THR A 16 -10.287 16.095 -28.775 1.00 5.51 C ATOM 228 C THR A 16 -8.881 15.736 -28.306 1.00 35.52 C ATOM 229 O THR A 16 -7.995 15.470 -29.118 1.00 2.14 O ATOM 230 CB THR A 16 -10.197 16.766 -30.159 1.00 34.21 C ATOM 231 OG1 THR A 16 -11.409 17.477 -30.438 1.00 5.14 O ATOM 232 CG2 THR A 16 -9.949 15.731 -31.246 1.00 52.32 C ATOM 0 H THR A 16 -10.368 17.686 -27.412 1.00 4.13 H new ATOM 0 HA THR A 16 -10.884 15.186 -28.857 1.00 5.51 H new ATOM 0 HB THR A 16 -9.361 17.465 -30.147 1.00 34.21 H new ATOM 0 HG1 THR A 16 -11.344 17.902 -31.319 1.00 5.14 H new ATOM 0 HG21 THR A 16 -9.889 16.228 -32.214 1.00 52.32 H new ATOM 0 HG22 THR A 16 -9.012 15.211 -31.046 1.00 52.32 H new ATOM 0 HG23 THR A 16 -10.768 15.012 -31.257 1.00 52.32 H new ATOM 240 N ARG A 17 -8.685 15.728 -26.991 1.00 74.24 N ATOM 241 CA ARG A 17 -7.387 15.401 -26.415 1.00 30.45 C ATOM 242 C ARG A 17 -6.863 14.079 -26.969 1.00 33.11 C ATOM 243 O ARG A 17 -7.620 13.284 -27.526 1.00 33.42 O ATOM 244 CB ARG A 17 -7.488 15.322 -24.890 1.00 45.41 C ATOM 245 CG ARG A 17 -6.233 15.792 -24.172 1.00 40.41 C ATOM 246 CD ARG A 17 -6.572 16.582 -22.918 1.00 2.42 C ATOM 247 NE ARG A 17 -5.377 17.102 -22.258 1.00 63.15 N ATOM 248 CZ ARG A 17 -5.411 17.928 -21.219 1.00 52.42 C ATOM 249 NH1 ARG A 17 -6.574 18.327 -20.723 1.00 75.21 N ATOM 250 NH2 ARG A 17 -4.280 18.358 -20.673 1.00 74.35 N ATOM 0 H ARG A 17 -9.409 15.944 -26.305 1.00 74.24 H new ATOM 0 HA ARG A 17 -6.688 16.192 -26.687 1.00 30.45 H new ATOM 0 HB2 ARG A 17 -8.334 15.925 -24.558 1.00 45.41 H new ATOM 0 HB3 ARG A 17 -7.698 14.292 -24.601 1.00 45.41 H new ATOM 0 HG2 ARG A 17 -5.620 14.931 -23.906 1.00 40.41 H new ATOM 0 HG3 ARG A 17 -5.638 16.411 -24.844 1.00 40.41 H new ATOM 0 HD2 ARG A 17 -7.231 17.410 -23.179 1.00 2.42 H new ATOM 0 HD3 ARG A 17 -7.120 15.944 -22.225 1.00 2.42 H new ATOM 0 HE ARG A 17 -4.466 16.815 -22.615 1.00 63.15 H new ATOM 0 HH11 ARG A 17 -7.445 17.999 -21.140 1.00 75.21 H new ATOM 0 HH12 ARG A 17 -6.597 18.962 -19.925 1.00 75.21 H new ATOM 0 HH21 ARG A 17 -3.383 18.054 -21.052 1.00 74.35 H new ATOM 0 HH22 ARG A 17 -4.308 18.993 -19.875 1.00 74.35 H new ATOM 264 N VAL A 18 -5.563 13.851 -26.813 1.00 40.40 N ATOM 265 CA VAL A 18 -4.938 12.626 -27.297 1.00 43.41 C ATOM 266 C VAL A 18 -3.833 12.163 -26.354 1.00 13.22 C ATOM 267 O VAL A 18 -2.857 12.878 -26.125 1.00 2.23 O ATOM 268 CB VAL A 18 -4.347 12.817 -28.707 1.00 33.11 C ATOM 269 CG1 VAL A 18 -3.846 11.491 -29.260 1.00 12.43 C ATOM 270 CG2 VAL A 18 -5.379 13.436 -29.637 1.00 75.12 C ATOM 0 H VAL A 18 -4.922 14.499 -26.355 1.00 40.40 H new ATOM 0 HA VAL A 18 -5.719 11.867 -27.338 1.00 43.41 H new ATOM 0 HB VAL A 18 -3.499 13.498 -28.638 1.00 33.11 H new ATOM 0 HG11 VAL A 18 -3.432 11.645 -30.256 1.00 12.43 H new ATOM 0 HG12 VAL A 18 -3.073 11.092 -28.604 1.00 12.43 H new ATOM 0 HG13 VAL A 18 -4.674 10.784 -29.317 1.00 12.43 H new ATOM 0 HG21 VAL A 18 -4.945 13.564 -30.629 1.00 75.12 H new ATOM 0 HG22 VAL A 18 -6.248 12.782 -29.703 1.00 75.12 H new ATOM 0 HG23 VAL A 18 -5.685 14.407 -29.247 1.00 75.12 H new ATOM 280 N LEU A 19 -3.993 10.962 -25.809 1.00 15.30 N ATOM 281 CA LEU A 19 -3.009 10.402 -24.890 1.00 32.23 C ATOM 282 C LEU A 19 -1.731 10.017 -25.628 1.00 52.34 C ATOM 283 O LEU A 19 -1.779 9.407 -26.697 1.00 42.13 O ATOM 284 CB LEU A 19 -3.587 9.178 -24.176 1.00 52.24 C ATOM 285 CG LEU A 19 -2.695 8.538 -23.113 1.00 22.42 C ATOM 286 CD1 LEU A 19 -3.508 8.181 -21.878 1.00 2.10 C ATOM 287 CD2 LEU A 19 -2.001 7.304 -23.671 1.00 70.34 C ATOM 0 H LEU A 19 -4.795 10.358 -25.988 1.00 15.30 H new ATOM 0 HA LEU A 19 -2.764 11.165 -24.151 1.00 32.23 H new ATOM 0 HB2 LEU A 19 -4.527 9.467 -23.707 1.00 52.24 H new ATOM 0 HB3 LEU A 19 -3.823 8.423 -24.926 1.00 52.24 H new ATOM 0 HG LEU A 19 -1.932 9.261 -22.824 1.00 22.42 H new ATOM 0 HD11 LEU A 19 -2.856 7.726 -21.132 1.00 2.10 H new ATOM 0 HD12 LEU A 19 -3.958 9.084 -21.465 1.00 2.10 H new ATOM 0 HD13 LEU A 19 -4.294 7.476 -22.151 1.00 2.10 H new ATOM 0 HD21 LEU A 19 -1.370 6.862 -22.900 1.00 70.34 H new ATOM 0 HD22 LEU A 19 -2.749 6.578 -23.988 1.00 70.34 H new ATOM 0 HD23 LEU A 19 -1.386 7.587 -24.525 1.00 70.34 H new ATOM 299 N LEU A 20 -0.590 10.376 -25.051 1.00 42.21 N ATOM 300 CA LEU A 20 0.702 10.067 -25.653 1.00 64.13 C ATOM 301 C LEU A 20 1.117 8.632 -25.345 1.00 62.33 C ATOM 302 O LEU A 20 1.241 7.804 -26.247 1.00 73.14 O ATOM 303 CB LEU A 20 1.769 11.038 -25.146 1.00 4.34 C ATOM 304 CG LEU A 20 1.538 12.516 -25.464 1.00 62.23 C ATOM 305 CD1 LEU A 20 2.440 13.394 -24.610 1.00 74.41 C ATOM 306 CD2 LEU A 20 1.774 12.786 -26.943 1.00 70.42 C ATOM 0 H LEU A 20 -0.533 10.881 -24.167 1.00 42.21 H new ATOM 0 HA LEU A 20 0.606 10.174 -26.733 1.00 64.13 H new ATOM 0 HB2 LEU A 20 1.847 10.928 -24.064 1.00 4.34 H new ATOM 0 HB3 LEU A 20 2.730 10.742 -25.567 1.00 4.34 H new ATOM 0 HG LEU A 20 0.502 12.760 -25.231 1.00 62.23 H new ATOM 0 HD11 LEU A 20 2.261 14.442 -24.851 1.00 74.41 H new ATOM 0 HD12 LEU A 20 2.223 13.222 -23.556 1.00 74.41 H new ATOM 0 HD13 LEU A 20 3.483 13.148 -24.811 1.00 74.41 H new ATOM 0 HD21 LEU A 20 1.605 13.842 -27.151 1.00 70.42 H new ATOM 0 HD22 LEU A 20 2.800 12.525 -27.201 1.00 70.42 H new ATOM 0 HD23 LEU A 20 1.086 12.185 -27.537 1.00 70.42 H new ATOM 318 N MET A 21 1.329 8.344 -24.065 1.00 54.11 N ATOM 319 CA MET A 21 1.726 7.008 -23.638 1.00 70.51 C ATOM 320 C MET A 21 1.882 6.945 -22.122 1.00 13.11 C ATOM 321 O MET A 21 2.132 7.960 -21.472 1.00 13.33 O ATOM 322 CB MET A 21 3.037 6.602 -24.314 1.00 71.53 C ATOM 323 CG MET A 21 2.878 5.474 -25.321 1.00 34.31 C ATOM 324 SD MET A 21 3.950 5.668 -26.757 1.00 41.12 S ATOM 325 CE MET A 21 5.564 5.504 -25.999 1.00 5.50 C ATOM 0 H MET A 21 1.232 9.018 -23.306 1.00 54.11 H new ATOM 0 HA MET A 21 0.942 6.311 -23.934 1.00 70.51 H new ATOM 0 HB2 MET A 21 3.461 7.471 -24.818 1.00 71.53 H new ATOM 0 HB3 MET A 21 3.751 6.297 -23.549 1.00 71.53 H new ATOM 0 HG2 MET A 21 3.098 4.524 -24.834 1.00 34.31 H new ATOM 0 HG3 MET A 21 1.840 5.430 -25.651 1.00 34.31 H new ATOM 0 HE1 MET A 21 6.335 5.566 -26.767 1.00 5.50 H new ATOM 0 HE2 MET A 21 5.709 6.305 -25.274 1.00 5.50 H new ATOM 0 HE3 MET A 21 5.632 4.541 -25.493 1.00 5.50 H new ATOM 335 N TYR A 22 1.732 5.748 -21.565 1.00 42.43 N ATOM 336 CA TYR A 22 1.854 5.555 -20.125 1.00 74.32 C ATOM 337 C TYR A 22 3.310 5.342 -19.725 1.00 63.31 C ATOM 338 O TYR A 22 4.084 4.724 -20.457 1.00 74.11 O ATOM 339 CB TYR A 22 1.010 4.360 -19.677 1.00 60.02 C ATOM 340 CG TYR A 22 -0.471 4.657 -19.607 1.00 60.45 C ATOM 341 CD1 TYR A 22 -1.240 4.729 -20.763 1.00 30.54 C ATOM 342 CD2 TYR A 22 -1.101 4.866 -18.387 1.00 71.21 C ATOM 343 CE1 TYR A 22 -2.593 5.000 -20.704 1.00 33.11 C ATOM 344 CE2 TYR A 22 -2.454 5.136 -18.319 1.00 10.22 C ATOM 345 CZ TYR A 22 -3.196 5.202 -19.480 1.00 3.52 C ATOM 346 OH TYR A 22 -4.543 5.473 -19.416 1.00 55.01 O ATOM 0 H TYR A 22 1.526 4.897 -22.089 1.00 42.43 H new ATOM 0 HA TYR A 22 1.489 6.455 -19.631 1.00 74.32 H new ATOM 0 HB2 TYR A 22 1.174 3.532 -20.366 1.00 60.02 H new ATOM 0 HB3 TYR A 22 1.353 4.031 -18.696 1.00 60.02 H new ATOM 0 HD1 TYR A 22 -0.772 4.570 -21.723 1.00 30.54 H new ATOM 0 HD2 TYR A 22 -0.523 4.817 -17.476 1.00 71.21 H new ATOM 0 HE1 TYR A 22 -3.176 5.053 -21.612 1.00 33.11 H new ATOM 0 HE2 TYR A 22 -2.928 5.295 -17.362 1.00 10.22 H new ATOM 0 HH TYR A 22 -4.809 5.588 -18.480 1.00 55.01 H new ATOM 356 N VAL A 23 3.678 5.858 -18.556 1.00 73.34 N ATOM 357 CA VAL A 23 5.041 5.724 -18.056 1.00 35.50 C ATOM 358 C VAL A 23 5.067 4.980 -16.725 1.00 54.22 C ATOM 359 O VAL A 23 4.354 5.339 -15.788 1.00 12.31 O ATOM 360 CB VAL A 23 5.710 7.099 -17.877 1.00 25.25 C ATOM 361 CG1 VAL A 23 7.185 6.935 -17.541 1.00 31.14 C ATOM 362 CG2 VAL A 23 5.531 7.946 -19.127 1.00 61.44 C ATOM 0 H VAL A 23 3.051 6.373 -17.938 1.00 73.34 H new ATOM 0 HA VAL A 23 5.597 5.152 -18.799 1.00 35.50 H new ATOM 0 HB VAL A 23 5.227 7.613 -17.046 1.00 25.25 H new ATOM 0 HG11 VAL A 23 7.642 7.917 -17.418 1.00 31.14 H new ATOM 0 HG12 VAL A 23 7.286 6.369 -16.615 1.00 31.14 H new ATOM 0 HG13 VAL A 23 7.685 6.401 -18.349 1.00 31.14 H new ATOM 0 HG21 VAL A 23 6.010 8.914 -18.982 1.00 61.44 H new ATOM 0 HG22 VAL A 23 5.986 7.439 -19.978 1.00 61.44 H new ATOM 0 HG23 VAL A 23 4.468 8.092 -19.318 1.00 61.44 H new ATOM 372 N ARG A 24 5.893 3.942 -16.650 1.00 4.45 N ATOM 373 CA ARG A 24 6.012 3.147 -15.433 1.00 42.43 C ATOM 374 C ARG A 24 7.119 3.690 -14.535 1.00 3.53 C ATOM 375 O ARG A 24 8.155 4.149 -15.018 1.00 1.04 O ATOM 376 CB ARG A 24 6.294 1.684 -15.780 1.00 41.44 C ATOM 377 CG ARG A 24 5.422 1.146 -16.902 1.00 75.43 C ATOM 378 CD ARG A 24 6.087 1.319 -18.258 1.00 44.33 C ATOM 379 NE ARG A 24 5.815 0.195 -19.150 1.00 54.41 N ATOM 380 CZ ARG A 24 6.293 -1.029 -18.957 1.00 44.45 C ATOM 381 NH1 ARG A 24 7.065 -1.285 -17.910 1.00 33.10 N ATOM 382 NH2 ARG A 24 6.000 -1.999 -19.813 1.00 65.34 N ATOM 0 H ARG A 24 6.490 3.632 -17.417 1.00 4.45 H new ATOM 0 HA ARG A 24 5.067 3.210 -14.894 1.00 42.43 H new ATOM 0 HB2 ARG A 24 7.341 1.582 -16.064 1.00 41.44 H new ATOM 0 HB3 ARG A 24 6.144 1.073 -14.890 1.00 41.44 H new ATOM 0 HG2 ARG A 24 5.216 0.090 -16.729 1.00 75.43 H new ATOM 0 HG3 ARG A 24 4.462 1.663 -16.898 1.00 75.43 H new ATOM 0 HD2 ARG A 24 5.734 2.241 -18.719 1.00 44.33 H new ATOM 0 HD3 ARG A 24 7.164 1.422 -18.123 1.00 44.33 H new ATOM 0 HE ARG A 24 5.226 0.359 -19.966 1.00 54.41 H new ATOM 0 HH11 ARG A 24 7.293 -0.541 -17.250 1.00 33.10 H new ATOM 0 HH12 ARG A 24 7.431 -2.226 -17.764 1.00 33.10 H new ATOM 0 HH21 ARG A 24 5.407 -1.805 -20.620 1.00 65.34 H new ATOM 0 HH22 ARG A 24 6.367 -2.939 -19.664 1.00 65.34 H new ATOM 396 N ILE A 25 6.893 3.636 -13.227 1.00 33.24 N ATOM 397 CA ILE A 25 7.871 4.122 -12.261 1.00 70.43 C ATOM 398 C ILE A 25 8.898 3.044 -11.930 1.00 11.22 C ATOM 399 O ILE A 25 9.126 2.727 -10.763 1.00 52.02 O ATOM 400 CB ILE A 25 7.194 4.587 -10.959 1.00 55.40 C ATOM 401 CG1 ILE A 25 5.961 5.438 -11.275 1.00 63.53 C ATOM 402 CG2 ILE A 25 8.177 5.369 -10.101 1.00 31.13 C ATOM 403 CD1 ILE A 25 6.278 6.692 -12.059 1.00 13.23 C ATOM 0 H ILE A 25 6.041 3.260 -12.811 1.00 33.24 H new ATOM 0 HA ILE A 25 8.374 4.972 -12.722 1.00 70.43 H new ATOM 0 HB ILE A 25 6.873 3.708 -10.400 1.00 55.40 H new ATOM 0 HG12 ILE A 25 5.249 4.836 -11.840 1.00 63.53 H new ATOM 0 HG13 ILE A 25 5.473 5.717 -10.341 1.00 63.53 H new ATOM 0 HG21 ILE A 25 7.684 5.691 -9.184 1.00 31.13 H new ATOM 0 HG22 ILE A 25 9.027 4.734 -9.852 1.00 31.13 H new ATOM 0 HG23 ILE A 25 8.525 6.243 -10.652 1.00 31.13 H new ATOM 0 HD11 ILE A 25 5.358 7.246 -12.247 1.00 13.23 H new ATOM 0 HD12 ILE A 25 6.966 7.315 -11.487 1.00 13.23 H new ATOM 0 HD13 ILE A 25 6.739 6.421 -13.009 1.00 13.23 H new ATOM 415 N GLY A 26 9.517 2.485 -12.965 1.00 50.34 N ATOM 416 CA GLY A 26 10.514 1.450 -12.763 1.00 41.54 C ATOM 417 C GLY A 26 11.828 1.769 -13.449 1.00 53.32 C ATOM 418 O GLY A 26 12.897 1.394 -12.967 1.00 33.52 O ATOM 0 H GLY A 26 9.346 2.730 -13.940 1.00 50.34 H new ATOM 0 HA2 GLY A 26 10.687 1.320 -11.695 1.00 41.54 H new ATOM 0 HA3 GLY A 26 10.131 0.502 -13.141 1.00 41.54 H new ATOM 422 N THR A 27 11.750 2.464 -14.580 1.00 71.23 N ATOM 423 CA THR A 27 12.941 2.831 -15.335 1.00 62.45 C ATOM 424 C THR A 27 12.727 4.130 -16.103 1.00 41.01 C ATOM 425 O THR A 27 11.623 4.674 -16.129 1.00 35.02 O ATOM 426 CB THR A 27 13.341 1.722 -16.327 1.00 23.20 C ATOM 427 OG1 THR A 27 14.624 2.011 -16.894 1.00 51.21 O ATOM 428 CG2 THR A 27 12.309 1.589 -17.436 1.00 52.43 C ATOM 0 H THR A 27 10.874 2.784 -14.993 1.00 71.23 H new ATOM 0 HA THR A 27 13.744 2.968 -14.611 1.00 62.45 H new ATOM 0 HB THR A 27 13.389 0.779 -15.783 1.00 23.20 H new ATOM 0 HG1 THR A 27 14.872 1.301 -17.522 1.00 51.21 H new ATOM 0 HG21 THR A 27 12.613 0.800 -18.124 1.00 52.43 H new ATOM 0 HG22 THR A 27 11.340 1.339 -17.003 1.00 52.43 H new ATOM 0 HG23 THR A 27 12.233 2.532 -17.977 1.00 52.43 H new ATOM 436 N THR A 28 13.791 4.624 -16.729 1.00 54.25 N ATOM 437 CA THR A 28 13.719 5.860 -17.498 1.00 1.51 C ATOM 438 C THR A 28 13.517 5.575 -18.982 1.00 21.24 C ATOM 439 O THR A 28 14.287 4.832 -19.591 1.00 14.33 O ATOM 440 CB THR A 28 14.993 6.708 -17.319 1.00 31.23 C ATOM 441 OG1 THR A 28 16.155 5.891 -17.501 1.00 34.43 O ATOM 442 CG2 THR A 28 15.028 7.347 -15.939 1.00 13.51 C ATOM 0 H THR A 28 14.713 4.187 -16.718 1.00 54.25 H new ATOM 0 HA THR A 28 12.863 6.418 -17.119 1.00 1.51 H new ATOM 0 HB THR A 28 14.984 7.499 -18.069 1.00 31.23 H new ATOM 0 HG1 THR A 28 15.996 5.253 -18.227 1.00 34.43 H new ATOM 0 HG21 THR A 28 15.936 7.941 -15.836 1.00 13.51 H new ATOM 0 HG22 THR A 28 14.157 7.991 -15.814 1.00 13.51 H new ATOM 0 HG23 THR A 28 15.015 6.568 -15.177 1.00 13.51 H new ATOM 450 N ALA A 29 12.478 6.169 -19.558 1.00 14.42 N ATOM 451 CA ALA A 29 12.176 5.981 -20.971 1.00 64.44 C ATOM 452 C ALA A 29 11.945 7.318 -21.667 1.00 23.22 C ATOM 453 O ALA A 29 11.921 8.368 -21.024 1.00 50.23 O ATOM 454 CB ALA A 29 10.961 5.081 -21.136 1.00 72.44 C ATOM 0 H ALA A 29 11.830 6.785 -19.067 1.00 14.42 H new ATOM 0 HA ALA A 29 13.036 5.502 -21.439 1.00 64.44 H new ATOM 0 HB1 ALA A 29 10.747 4.949 -22.197 1.00 72.44 H new ATOM 0 HB2 ALA A 29 11.163 4.110 -20.683 1.00 72.44 H new ATOM 0 HB3 ALA A 29 10.101 5.538 -20.646 1.00 72.44 H new ATOM 460 N THR A 30 11.776 7.273 -22.985 1.00 23.02 N ATOM 461 CA THR A 30 11.549 8.481 -23.768 1.00 21.12 C ATOM 462 C THR A 30 10.236 8.398 -24.538 1.00 1.21 C ATOM 463 O THR A 30 9.826 7.320 -24.969 1.00 14.22 O ATOM 464 CB THR A 30 12.699 8.731 -24.762 1.00 21.24 C ATOM 465 OG1 THR A 30 13.573 7.597 -24.795 1.00 2.14 O ATOM 466 CG2 THR A 30 13.487 9.974 -24.376 1.00 71.23 C ATOM 0 H THR A 30 11.792 6.412 -23.532 1.00 23.02 H new ATOM 0 HA THR A 30 11.502 9.311 -23.063 1.00 21.12 H new ATOM 0 HB THR A 30 12.268 8.886 -25.751 1.00 21.24 H new ATOM 0 HG1 THR A 30 14.300 7.763 -25.430 1.00 2.14 H new ATOM 0 HG21 THR A 30 14.294 10.130 -25.092 1.00 71.23 H new ATOM 0 HG22 THR A 30 12.825 10.840 -24.380 1.00 71.23 H new ATOM 0 HG23 THR A 30 13.907 9.843 -23.379 1.00 71.23 H new ATOM 474 N ILE A 31 9.582 9.542 -24.708 1.00 2.31 N ATOM 475 CA ILE A 31 8.316 9.598 -25.428 1.00 43.22 C ATOM 476 C ILE A 31 8.468 10.344 -26.749 1.00 50.53 C ATOM 477 O ILE A 31 9.183 11.344 -26.833 1.00 33.02 O ATOM 478 CB ILE A 31 7.221 10.281 -24.589 1.00 14.34 C ATOM 479 CG1 ILE A 31 7.019 9.534 -23.269 1.00 33.12 C ATOM 480 CG2 ILE A 31 5.918 10.347 -25.371 1.00 55.10 C ATOM 481 CD1 ILE A 31 6.921 10.447 -22.066 1.00 63.44 C ATOM 0 H ILE A 31 9.908 10.443 -24.357 1.00 2.31 H new ATOM 0 HA ILE A 31 8.020 8.568 -25.627 1.00 43.22 H new ATOM 0 HB ILE A 31 7.539 11.299 -24.364 1.00 14.34 H new ATOM 0 HG12 ILE A 31 6.111 8.935 -23.335 1.00 33.12 H new ATOM 0 HG13 ILE A 31 7.848 8.841 -23.123 1.00 33.12 H new ATOM 0 HG21 ILE A 31 5.154 10.833 -24.764 1.00 55.10 H new ATOM 0 HG22 ILE A 31 6.072 10.918 -26.287 1.00 55.10 H new ATOM 0 HG23 ILE A 31 5.594 9.337 -25.623 1.00 55.10 H new ATOM 0 HD11 ILE A 31 6.778 9.849 -21.166 1.00 63.44 H new ATOM 0 HD12 ILE A 31 7.839 11.028 -21.974 1.00 63.44 H new ATOM 0 HD13 ILE A 31 6.075 11.123 -22.190 1.00 63.44 H new ATOM 493 N THR A 32 7.789 9.853 -27.782 1.00 10.55 N ATOM 494 CA THR A 32 7.847 10.474 -29.099 1.00 61.52 C ATOM 495 C THR A 32 6.551 11.209 -29.418 1.00 53.14 C ATOM 496 O THR A 32 5.489 10.597 -29.526 1.00 32.41 O ATOM 497 CB THR A 32 8.116 9.430 -30.200 1.00 3.03 C ATOM 498 OG1 THR A 32 8.530 8.192 -29.611 1.00 13.15 O ATOM 499 CG2 THR A 32 9.187 9.922 -31.162 1.00 0.12 C ATOM 0 H THR A 32 7.193 9.027 -27.731 1.00 10.55 H new ATOM 0 HA THR A 32 8.670 11.188 -29.076 1.00 61.52 H new ATOM 0 HB THR A 32 7.192 9.276 -30.757 1.00 3.03 H new ATOM 0 HG1 THR A 32 8.697 7.533 -30.317 1.00 13.15 H new ATOM 0 HG21 THR A 32 9.360 9.168 -31.930 1.00 0.12 H new ATOM 0 HG22 THR A 32 8.857 10.849 -31.631 1.00 0.12 H new ATOM 0 HG23 THR A 32 10.113 10.101 -30.615 1.00 0.12 H new ATOM 507 N ALA A 33 6.645 12.526 -29.569 1.00 52.25 N ATOM 508 CA ALA A 33 5.479 13.345 -29.879 1.00 63.23 C ATOM 509 C ALA A 33 5.850 14.501 -30.802 1.00 1.13 C ATOM 510 O ALA A 33 6.861 15.173 -30.595 1.00 15.24 O ATOM 511 CB ALA A 33 4.848 13.870 -28.599 1.00 11.33 C ATOM 0 H ALA A 33 7.516 13.049 -29.482 1.00 52.25 H new ATOM 0 HA ALA A 33 4.753 12.719 -30.398 1.00 63.23 H new ATOM 0 HB1 ALA A 33 3.979 14.480 -28.845 1.00 11.33 H new ATOM 0 HB2 ALA A 33 4.538 13.031 -27.976 1.00 11.33 H new ATOM 0 HB3 ALA A 33 5.574 14.476 -28.057 1.00 11.33 H new ATOM 517 N ARG A 34 5.027 14.727 -31.820 1.00 70.35 N ATOM 518 CA ARG A 34 5.270 15.801 -32.776 1.00 21.23 C ATOM 519 C ARG A 34 6.675 15.699 -33.363 1.00 32.32 C ATOM 520 O ARG A 34 7.380 16.699 -33.489 1.00 61.22 O ATOM 521 CB ARG A 34 5.085 17.162 -32.103 1.00 13.21 C ATOM 522 CG ARG A 34 3.663 17.420 -31.631 1.00 70.21 C ATOM 523 CD ARG A 34 3.396 18.906 -31.452 1.00 41.13 C ATOM 524 NE ARG A 34 2.416 19.406 -32.412 1.00 75.55 N ATOM 525 CZ ARG A 34 1.780 20.564 -32.278 1.00 54.13 C ATOM 526 NH1 ARG A 34 2.021 21.339 -31.230 1.00 35.34 N ATOM 527 NH2 ARG A 34 0.901 20.950 -33.195 1.00 10.04 N ATOM 0 H ARG A 34 4.186 14.181 -32.004 1.00 70.35 H new ATOM 0 HA ARG A 34 4.548 15.702 -33.587 1.00 21.23 H new ATOM 0 HB2 ARG A 34 5.760 17.231 -31.250 1.00 13.21 H new ATOM 0 HB3 ARG A 34 5.374 17.946 -32.803 1.00 13.21 H new ATOM 0 HG2 ARG A 34 2.958 17.007 -32.353 1.00 70.21 H new ATOM 0 HG3 ARG A 34 3.492 16.902 -30.687 1.00 70.21 H new ATOM 0 HD2 ARG A 34 3.038 19.090 -30.439 1.00 41.13 H new ATOM 0 HD3 ARG A 34 4.329 19.458 -31.566 1.00 41.13 H new ATOM 0 HE ARG A 34 2.208 18.834 -33.231 1.00 75.55 H new ATOM 0 HH11 ARG A 34 2.696 21.046 -30.524 1.00 35.34 H new ATOM 0 HH12 ARG A 34 1.531 22.228 -31.130 1.00 35.34 H new ATOM 0 HH21 ARG A 34 0.714 20.357 -34.003 1.00 10.04 H new ATOM 0 HH22 ARG A 34 0.413 21.840 -33.091 1.00 10.04 H new ATOM 541 N GLY A 35 7.075 14.482 -33.719 1.00 72.24 N ATOM 542 CA GLY A 35 8.393 14.271 -34.288 1.00 3.20 C ATOM 543 C GLY A 35 9.504 14.694 -33.348 1.00 4.33 C ATOM 544 O GLY A 35 10.611 15.010 -33.785 1.00 44.12 O ATOM 0 H GLY A 35 6.510 13.638 -33.623 1.00 72.24 H new ATOM 0 HA2 GLY A 35 8.513 13.217 -34.537 1.00 3.20 H new ATOM 0 HA3 GLY A 35 8.477 14.830 -35.220 1.00 3.20 H new ATOM 548 N HIS A 36 9.210 14.703 -32.052 1.00 33.35 N ATOM 549 CA HIS A 36 10.193 15.092 -31.046 1.00 74.35 C ATOM 550 C HIS A 36 10.292 14.038 -29.947 1.00 55.41 C ATOM 551 O HIS A 36 9.327 13.326 -29.669 1.00 43.50 O ATOM 552 CB HIS A 36 9.824 16.446 -30.440 1.00 22.13 C ATOM 553 CG HIS A 36 10.483 17.606 -31.120 1.00 53.23 C ATOM 554 ND1 HIS A 36 10.287 17.908 -32.452 1.00 24.44 N ATOM 555 CD2 HIS A 36 11.337 18.543 -30.645 1.00 71.25 C ATOM 556 CE1 HIS A 36 10.994 18.978 -32.767 1.00 3.23 C ATOM 557 NE2 HIS A 36 11.640 19.384 -31.688 1.00 71.51 N ATOM 0 H HIS A 36 8.299 14.445 -31.673 1.00 33.35 H new ATOM 0 HA HIS A 36 11.164 15.174 -31.534 1.00 74.35 H new ATOM 0 HB2 HIS A 36 8.743 16.574 -30.488 1.00 22.13 H new ATOM 0 HB3 HIS A 36 10.099 16.450 -29.385 1.00 22.13 H new ATOM 0 HD2 HIS A 36 11.710 18.616 -29.634 1.00 71.25 H new ATOM 0 HE1 HIS A 36 11.037 19.442 -33.741 1.00 3.23 H new ATOM 0 HE2 HIS A 36 12.262 20.191 -31.638 1.00 71.51 H new ATOM 565 N GLU A 37 11.464 13.946 -29.327 1.00 33.51 N ATOM 566 CA GLU A 37 11.688 12.978 -28.259 1.00 73.34 C ATOM 567 C GLU A 37 11.803 13.676 -26.907 1.00 74.24 C ATOM 568 O GLU A 37 12.597 14.601 -26.739 1.00 44.14 O ATOM 569 CB GLU A 37 12.954 12.165 -28.535 1.00 64.23 C ATOM 570 CG GLU A 37 14.216 13.008 -28.602 1.00 5.34 C ATOM 571 CD GLU A 37 15.230 12.465 -29.590 1.00 22.34 C ATOM 572 OE1 GLU A 37 15.098 11.290 -29.991 1.00 34.33 O ATOM 573 OE2 GLU A 37 16.156 13.215 -29.962 1.00 4.41 O ATOM 0 H GLU A 37 12.272 14.529 -29.545 1.00 33.51 H new ATOM 0 HA GLU A 37 10.832 12.304 -28.229 1.00 73.34 H new ATOM 0 HB2 GLU A 37 13.070 11.413 -27.754 1.00 64.23 H new ATOM 0 HB3 GLU A 37 12.834 11.630 -29.477 1.00 64.23 H new ATOM 0 HG2 GLU A 37 13.952 14.028 -28.882 1.00 5.34 H new ATOM 0 HG3 GLU A 37 14.669 13.056 -27.612 1.00 5.34 H new ATOM 580 N PHE A 38 11.003 13.226 -25.946 1.00 51.10 N ATOM 581 CA PHE A 38 11.013 13.808 -24.609 1.00 31.32 C ATOM 582 C PHE A 38 11.474 12.785 -23.574 1.00 74.03 C ATOM 583 O PHE A 38 10.773 11.813 -23.293 1.00 63.05 O ATOM 584 CB PHE A 38 9.620 14.326 -24.245 1.00 1.22 C ATOM 585 CG PHE A 38 9.067 15.307 -25.239 1.00 0.24 C ATOM 586 CD1 PHE A 38 9.373 16.655 -25.145 1.00 44.33 C ATOM 587 CD2 PHE A 38 8.241 14.881 -26.266 1.00 43.24 C ATOM 588 CE1 PHE A 38 8.865 17.560 -26.058 1.00 40.01 C ATOM 589 CE2 PHE A 38 7.730 15.781 -27.183 1.00 3.45 C ATOM 590 CZ PHE A 38 8.044 17.122 -27.079 1.00 15.44 C ATOM 0 H PHE A 38 10.340 12.461 -26.068 1.00 51.10 H new ATOM 0 HA PHE A 38 11.715 14.642 -24.608 1.00 31.32 H new ATOM 0 HB2 PHE A 38 8.937 13.481 -24.162 1.00 1.22 H new ATOM 0 HB3 PHE A 38 9.662 14.799 -23.264 1.00 1.22 H new ATOM 0 HD1 PHE A 38 10.016 17.003 -24.350 1.00 44.33 H new ATOM 0 HD2 PHE A 38 7.993 13.833 -26.352 1.00 43.24 H new ATOM 0 HE1 PHE A 38 9.110 18.608 -25.973 1.00 40.01 H new ATOM 0 HE2 PHE A 38 7.087 15.436 -27.979 1.00 3.45 H new ATOM 0 HZ PHE A 38 7.648 17.827 -27.795 1.00 15.44 H new ATOM 600 N GLU A 39 12.657 13.012 -23.012 1.00 54.50 N ATOM 601 CA GLU A 39 13.211 12.110 -22.010 1.00 4.21 C ATOM 602 C GLU A 39 12.875 12.589 -20.601 1.00 10.23 C ATOM 603 O GLU A 39 13.482 13.532 -20.092 1.00 32.32 O ATOM 604 CB GLU A 39 14.729 12.001 -22.174 1.00 73.55 C ATOM 605 CG GLU A 39 15.341 10.839 -21.410 1.00 64.14 C ATOM 606 CD GLU A 39 16.689 10.422 -21.966 1.00 24.44 C ATOM 607 OE1 GLU A 39 17.542 11.307 -22.182 1.00 43.35 O ATOM 608 OE2 GLU A 39 16.891 9.208 -22.183 1.00 10.31 O ATOM 0 H GLU A 39 13.250 13.812 -23.234 1.00 54.50 H new ATOM 0 HA GLU A 39 12.764 11.127 -22.157 1.00 4.21 H new ATOM 0 HB2 GLU A 39 14.965 11.893 -23.233 1.00 73.55 H new ATOM 0 HB3 GLU A 39 15.190 12.930 -21.837 1.00 73.55 H new ATOM 0 HG2 GLU A 39 15.454 11.117 -20.362 1.00 64.14 H new ATOM 0 HG3 GLU A 39 14.660 9.989 -21.442 1.00 64.14 H new ATOM 615 N VAL A 40 11.903 11.933 -19.975 1.00 54.03 N ATOM 616 CA VAL A 40 11.485 12.290 -18.625 1.00 12.40 C ATOM 617 C VAL A 40 11.973 11.264 -17.609 1.00 2.21 C ATOM 618 O VAL A 40 12.438 10.186 -17.976 1.00 72.32 O ATOM 619 CB VAL A 40 9.952 12.407 -18.524 1.00 43.31 C ATOM 620 CG1 VAL A 40 9.426 13.416 -19.534 1.00 31.12 C ATOM 621 CG2 VAL A 40 9.300 11.048 -18.727 1.00 22.14 C ATOM 0 H VAL A 40 11.390 11.151 -20.382 1.00 54.03 H new ATOM 0 HA VAL A 40 11.931 13.259 -18.402 1.00 12.40 H new ATOM 0 HB VAL A 40 9.697 12.761 -17.525 1.00 43.31 H new ATOM 0 HG11 VAL A 40 8.342 13.485 -19.448 1.00 31.12 H new ATOM 0 HG12 VAL A 40 9.869 14.392 -19.337 1.00 31.12 H new ATOM 0 HG13 VAL A 40 9.690 13.094 -20.541 1.00 31.12 H new ATOM 0 HG21 VAL A 40 8.217 11.149 -18.652 1.00 22.14 H new ATOM 0 HG22 VAL A 40 9.561 10.663 -19.713 1.00 22.14 H new ATOM 0 HG23 VAL A 40 9.653 10.357 -17.962 1.00 22.14 H new ATOM 631 N GLU A 41 11.864 11.608 -16.329 1.00 50.03 N ATOM 632 CA GLU A 41 12.295 10.716 -15.260 1.00 23.32 C ATOM 633 C GLU A 41 11.136 10.389 -14.323 1.00 72.11 C ATOM 634 O GLU A 41 10.459 11.285 -13.821 1.00 15.15 O ATOM 635 CB GLU A 41 13.442 11.349 -14.468 1.00 72.35 C ATOM 636 CG GLU A 41 13.806 10.584 -13.207 1.00 60.42 C ATOM 637 CD GLU A 41 14.967 11.210 -12.460 1.00 11.35 C ATOM 638 OE1 GLU A 41 14.951 12.443 -12.264 1.00 41.53 O ATOM 639 OE2 GLU A 41 15.891 10.466 -12.069 1.00 42.54 O ATOM 0 H GLU A 41 11.481 12.497 -16.008 1.00 50.03 H new ATOM 0 HA GLU A 41 12.645 9.789 -15.715 1.00 23.32 H new ATOM 0 HB2 GLU A 41 14.321 11.416 -15.109 1.00 72.35 H new ATOM 0 HB3 GLU A 41 13.166 12.368 -14.198 1.00 72.35 H new ATOM 0 HG2 GLU A 41 12.937 10.540 -12.550 1.00 60.42 H new ATOM 0 HG3 GLU A 41 14.059 9.557 -13.470 1.00 60.42 H new ATOM 646 N ALA A 42 10.914 9.099 -14.094 1.00 35.21 N ATOM 647 CA ALA A 42 9.838 8.653 -13.217 1.00 72.12 C ATOM 648 C ALA A 42 10.375 8.263 -11.844 1.00 74.43 C ATOM 649 O ALA A 42 11.161 7.324 -11.717 1.00 44.15 O ATOM 650 CB ALA A 42 9.094 7.485 -13.847 1.00 32.41 C ATOM 0 H ALA A 42 11.465 8.344 -14.503 1.00 35.21 H new ATOM 0 HA ALA A 42 9.143 9.482 -13.084 1.00 72.12 H new ATOM 0 HB1 ALA A 42 8.293 7.162 -13.182 1.00 32.41 H new ATOM 0 HB2 ALA A 42 8.669 7.796 -14.801 1.00 32.41 H new ATOM 0 HB3 ALA A 42 9.786 6.659 -14.010 1.00 32.41 H new ATOM 656 N LYS A 43 9.945 8.989 -10.818 1.00 21.21 N ATOM 657 CA LYS A 43 10.382 8.719 -9.453 1.00 73.22 C ATOM 658 C LYS A 43 9.204 8.302 -8.578 1.00 22.22 C ATOM 659 O LYS A 43 9.374 7.577 -7.597 1.00 13.20 O ATOM 660 CB LYS A 43 11.060 9.955 -8.859 1.00 1.22 C ATOM 661 CG LYS A 43 12.567 9.819 -8.729 1.00 63.23 C ATOM 662 CD LYS A 43 13.144 10.868 -7.793 1.00 73.14 C ATOM 663 CE LYS A 43 14.366 10.344 -7.054 1.00 53.34 C ATOM 664 NZ LYS A 43 14.567 11.040 -5.753 1.00 31.40 N ATOM 0 H LYS A 43 9.294 9.769 -10.906 1.00 21.21 H new ATOM 0 HA LYS A 43 11.099 7.898 -9.483 1.00 73.22 H new ATOM 0 HB2 LYS A 43 10.834 10.819 -9.484 1.00 1.22 H new ATOM 0 HB3 LYS A 43 10.635 10.154 -7.875 1.00 1.22 H new ATOM 0 HG2 LYS A 43 12.813 8.824 -8.357 1.00 63.23 H new ATOM 0 HG3 LYS A 43 13.028 9.915 -9.712 1.00 63.23 H new ATOM 0 HD2 LYS A 43 13.416 11.756 -8.363 1.00 73.14 H new ATOM 0 HD3 LYS A 43 12.384 11.172 -7.073 1.00 73.14 H new ATOM 0 HE2 LYS A 43 14.254 9.274 -6.880 1.00 53.34 H new ATOM 0 HE3 LYS A 43 15.251 10.475 -7.677 1.00 53.34 H new ATOM 0 HZ1 LYS A 43 15.409 10.655 -5.280 1.00 31.40 H new ATOM 0 HZ2 LYS A 43 14.699 12.058 -5.921 1.00 31.40 H new ATOM 0 HZ3 LYS A 43 13.733 10.894 -5.149 1.00 31.40 H new ATOM 678 N ASP A 44 8.012 8.763 -8.939 1.00 71.53 N ATOM 679 CA ASP A 44 6.806 8.435 -8.188 1.00 74.00 C ATOM 680 C ASP A 44 5.579 9.090 -8.816 1.00 64.35 C ATOM 681 O ASP A 44 5.674 9.728 -9.864 1.00 43.22 O ATOM 682 CB ASP A 44 6.948 8.882 -6.732 1.00 44.55 C ATOM 683 CG ASP A 44 7.524 10.280 -6.610 1.00 63.51 C ATOM 684 OD1 ASP A 44 6.807 11.247 -6.938 1.00 51.31 O ATOM 685 OD2 ASP A 44 8.693 10.405 -6.187 1.00 71.01 O ATOM 0 H ASP A 44 7.855 9.365 -9.747 1.00 71.53 H new ATOM 0 HA ASP A 44 6.674 7.353 -8.217 1.00 74.00 H new ATOM 0 HB2 ASP A 44 5.972 8.851 -6.248 1.00 44.55 H new ATOM 0 HB3 ASP A 44 7.590 8.180 -6.200 1.00 44.55 H new ATOM 690 N GLN A 45 4.430 8.925 -8.170 1.00 1.14 N ATOM 691 CA GLN A 45 3.185 9.499 -8.667 1.00 23.21 C ATOM 692 C GLN A 45 3.347 10.989 -8.949 1.00 63.25 C ATOM 693 O GLN A 45 2.699 11.535 -9.841 1.00 44.11 O ATOM 694 CB GLN A 45 2.058 9.279 -7.656 1.00 62.13 C ATOM 695 CG GLN A 45 0.670 9.313 -8.276 1.00 24.22 C ATOM 696 CD GLN A 45 -0.405 9.696 -7.278 1.00 42.22 C ATOM 697 OE1 GLN A 45 -0.168 9.717 -6.070 1.00 42.20 O ATOM 698 NE2 GLN A 45 -1.596 10.002 -7.779 1.00 43.54 N ATOM 0 H GLN A 45 4.335 8.399 -7.301 1.00 1.14 H new ATOM 0 HA GLN A 45 2.930 8.997 -9.600 1.00 23.21 H new ATOM 0 HB2 GLN A 45 2.204 8.317 -7.165 1.00 62.13 H new ATOM 0 HB3 GLN A 45 2.120 10.044 -6.882 1.00 62.13 H new ATOM 0 HG2 GLN A 45 0.663 10.023 -9.103 1.00 24.22 H new ATOM 0 HG3 GLN A 45 0.439 8.334 -8.695 1.00 24.22 H new ATOM 0 HE21 GLN A 45 -1.748 9.971 -8.787 1.00 43.54 H new ATOM 0 HE22 GLN A 45 -2.358 10.268 -7.156 1.00 43.54 H new ATOM 707 N ASN A 46 4.216 11.640 -8.183 1.00 41.32 N ATOM 708 CA ASN A 46 4.462 13.068 -8.351 1.00 25.02 C ATOM 709 C ASN A 46 5.366 13.327 -9.553 1.00 20.33 C ATOM 710 O ASN A 46 6.577 13.494 -9.408 1.00 64.41 O ATOM 711 CB ASN A 46 5.098 13.649 -7.086 1.00 62.12 C ATOM 712 CG ASN A 46 4.801 15.126 -6.916 1.00 43.31 C ATOM 713 OD1 ASN A 46 4.487 15.823 -7.881 1.00 72.23 O ATOM 714 ND2 ASN A 46 4.900 15.611 -5.684 1.00 4.51 N ATOM 0 H ASN A 46 4.761 11.202 -7.440 1.00 41.32 H new ATOM 0 HA ASN A 46 3.504 13.558 -8.527 1.00 25.02 H new ATOM 0 HB2 ASN A 46 4.731 13.105 -6.216 1.00 62.12 H new ATOM 0 HB3 ASN A 46 6.177 13.500 -7.124 1.00 62.12 H new ATOM 0 HD21 ASN A 46 4.713 16.598 -5.508 1.00 4.51 H new ATOM 0 HD22 ASN A 46 5.163 14.997 -4.914 1.00 4.51 H new ATOM 721 N CYS A 47 4.768 13.359 -10.739 1.00 44.11 N ATOM 722 CA CYS A 47 5.517 13.598 -11.967 1.00 25.51 C ATOM 723 C CYS A 47 5.267 15.008 -12.492 1.00 14.22 C ATOM 724 O CYS A 47 4.141 15.505 -12.457 1.00 75.22 O ATOM 725 CB CYS A 47 5.132 12.569 -13.032 1.00 40.10 C ATOM 726 SG CYS A 47 5.800 10.901 -12.731 1.00 53.11 S ATOM 0 H CYS A 47 3.766 13.222 -10.876 1.00 44.11 H new ATOM 0 HA CYS A 47 6.579 13.497 -11.741 1.00 25.51 H new ATOM 0 HB2 CYS A 47 4.045 12.509 -13.087 1.00 40.10 H new ATOM 0 HB3 CYS A 47 5.482 12.919 -14.003 1.00 40.10 H new ATOM 731 N LYS A 48 6.324 15.649 -12.978 1.00 50.13 N ATOM 732 CA LYS A 48 6.220 17.002 -13.513 1.00 23.25 C ATOM 733 C LYS A 48 6.911 17.106 -14.868 1.00 64.24 C ATOM 734 O LYS A 48 7.985 16.539 -15.074 1.00 52.44 O ATOM 735 CB LYS A 48 6.836 18.006 -12.536 1.00 41.40 C ATOM 736 CG LYS A 48 8.298 17.736 -12.227 1.00 23.15 C ATOM 737 CD LYS A 48 8.540 17.624 -10.731 1.00 22.14 C ATOM 738 CE LYS A 48 9.830 18.318 -10.321 1.00 62.01 C ATOM 739 NZ LYS A 48 10.458 17.669 -9.137 1.00 33.40 N ATOM 0 H LYS A 48 7.263 15.253 -13.013 1.00 50.13 H new ATOM 0 HA LYS A 48 5.163 17.234 -13.646 1.00 23.25 H new ATOM 0 HB2 LYS A 48 6.740 19.009 -12.951 1.00 41.40 H new ATOM 0 HB3 LYS A 48 6.268 17.990 -11.606 1.00 41.40 H new ATOM 0 HG2 LYS A 48 8.610 16.814 -12.717 1.00 23.15 H new ATOM 0 HG3 LYS A 48 8.912 18.538 -12.637 1.00 23.15 H new ATOM 0 HD2 LYS A 48 7.701 18.065 -10.192 1.00 22.14 H new ATOM 0 HD3 LYS A 48 8.585 16.573 -10.446 1.00 22.14 H new ATOM 0 HE2 LYS A 48 10.530 18.305 -11.156 1.00 62.01 H new ATOM 0 HE3 LYS A 48 9.623 19.364 -10.095 1.00 62.01 H new ATOM 0 HZ1 LYS A 48 11.334 18.172 -8.890 1.00 33.40 H new ATOM 0 HZ2 LYS A 48 9.800 17.704 -8.332 1.00 33.40 H new ATOM 0 HZ3 LYS A 48 10.679 16.678 -9.361 1.00 33.40 H new ATOM 753 N VAL A 49 6.290 17.834 -15.790 1.00 53.42 N ATOM 754 CA VAL A 49 6.846 18.015 -17.126 1.00 24.24 C ATOM 755 C VAL A 49 8.285 18.515 -17.058 1.00 52.53 C ATOM 756 O VAL A 49 8.530 19.697 -16.812 1.00 25.32 O ATOM 757 CB VAL A 49 6.008 19.006 -17.954 1.00 74.12 C ATOM 758 CG1 VAL A 49 4.719 18.350 -18.427 1.00 41.20 C ATOM 759 CG2 VAL A 49 5.712 20.259 -17.145 1.00 13.42 C ATOM 0 H VAL A 49 5.400 18.309 -15.636 1.00 53.42 H new ATOM 0 HA VAL A 49 6.825 17.040 -17.613 1.00 24.24 H new ATOM 0 HB VAL A 49 6.584 19.296 -18.833 1.00 74.12 H new ATOM 0 HG11 VAL A 49 4.140 19.065 -19.011 1.00 41.20 H new ATOM 0 HG12 VAL A 49 4.957 17.485 -19.046 1.00 41.20 H new ATOM 0 HG13 VAL A 49 4.136 18.029 -17.564 1.00 41.20 H new ATOM 0 HG21 VAL A 49 5.119 20.948 -17.746 1.00 13.42 H new ATOM 0 HG22 VAL A 49 5.156 19.989 -16.247 1.00 13.42 H new ATOM 0 HG23 VAL A 49 6.649 20.739 -16.861 1.00 13.42 H new ATOM 769 N ILE A 50 9.232 17.610 -17.279 1.00 75.14 N ATOM 770 CA ILE A 50 10.646 17.960 -17.246 1.00 10.35 C ATOM 771 C ILE A 50 11.469 17.008 -18.106 1.00 21.31 C ATOM 772 O ILE A 50 11.155 15.821 -18.213 1.00 52.52 O ATOM 773 CB ILE A 50 11.196 17.941 -15.807 1.00 65.23 C ATOM 774 CG1 ILE A 50 12.607 18.533 -15.770 1.00 13.14 C ATOM 775 CG2 ILE A 50 11.198 16.521 -15.260 1.00 15.32 C ATOM 776 CD1 ILE A 50 13.081 18.876 -14.375 1.00 21.12 C ATOM 0 H ILE A 50 9.045 16.628 -17.483 1.00 75.14 H new ATOM 0 HA ILE A 50 10.731 18.970 -17.646 1.00 10.35 H new ATOM 0 HB ILE A 50 10.549 18.552 -15.178 1.00 65.23 H new ATOM 0 HG12 ILE A 50 13.302 17.823 -16.217 1.00 13.14 H new ATOM 0 HG13 ILE A 50 12.631 19.433 -16.385 1.00 13.14 H new ATOM 0 HG21 ILE A 50 11.589 16.524 -14.243 1.00 15.32 H new ATOM 0 HG22 ILE A 50 10.180 16.131 -15.256 1.00 15.32 H new ATOM 0 HG23 ILE A 50 11.826 15.890 -15.889 1.00 15.32 H new ATOM 0 HD11 ILE A 50 14.088 19.291 -14.424 1.00 21.12 H new ATOM 0 HD12 ILE A 50 12.408 19.610 -13.932 1.00 21.12 H new ATOM 0 HD13 ILE A 50 13.089 17.975 -13.762 1.00 21.12 H new ATOM 788 N LEU A 51 12.525 17.534 -18.716 1.00 64.52 N ATOM 789 CA LEU A 51 13.397 16.730 -19.567 1.00 35.35 C ATOM 790 C LEU A 51 14.815 16.686 -19.007 1.00 13.23 C ATOM 791 O LEU A 51 15.230 17.578 -18.266 1.00 53.52 O ATOM 792 CB LEU A 51 13.414 17.292 -20.989 1.00 4.42 C ATOM 793 CG LEU A 51 12.051 17.618 -21.599 1.00 73.42 C ATOM 794 CD1 LEU A 51 12.218 18.286 -22.955 1.00 23.11 C ATOM 795 CD2 LEU A 51 11.208 16.357 -21.725 1.00 22.44 C ATOM 0 H LEU A 51 12.799 18.513 -18.638 1.00 64.52 H new ATOM 0 HA LEU A 51 13.004 15.713 -19.590 1.00 35.35 H new ATOM 0 HB2 LEU A 51 14.017 18.200 -20.992 1.00 4.42 H new ATOM 0 HB3 LEU A 51 13.917 16.573 -21.636 1.00 4.42 H new ATOM 0 HG LEU A 51 11.535 18.312 -20.936 1.00 73.42 H new ATOM 0 HD11 LEU A 51 11.237 18.510 -23.373 1.00 23.11 H new ATOM 0 HD12 LEU A 51 12.783 19.211 -22.838 1.00 23.11 H new ATOM 0 HD13 LEU A 51 12.754 17.616 -23.627 1.00 23.11 H new ATOM 0 HD21 LEU A 51 10.241 16.608 -22.161 1.00 22.44 H new ATOM 0 HD22 LEU A 51 11.720 15.640 -22.366 1.00 22.44 H new ATOM 0 HD23 LEU A 51 11.058 15.919 -20.738 1.00 22.44 H new ATOM 807 N THR A 52 15.556 15.643 -19.367 1.00 42.10 N ATOM 808 CA THR A 52 16.928 15.484 -18.902 1.00 61.51 C ATOM 809 C THR A 52 17.916 16.119 -19.874 1.00 55.11 C ATOM 810 O THR A 52 19.128 15.975 -19.724 1.00 40.33 O ATOM 811 CB THR A 52 17.290 13.998 -18.719 1.00 31.52 C ATOM 812 OG1 THR A 52 18.558 13.879 -18.064 1.00 13.23 O ATOM 813 CG2 THR A 52 17.338 13.283 -20.061 1.00 22.12 C ATOM 0 H THR A 52 15.229 14.896 -19.979 1.00 42.10 H new ATOM 0 HA THR A 52 16.995 15.989 -17.938 1.00 61.51 H new ATOM 0 HB THR A 52 16.519 13.533 -18.105 1.00 31.52 H new ATOM 0 HG1 THR A 52 19.173 14.556 -18.416 1.00 13.23 H new ATOM 0 HG21 THR A 52 17.596 12.235 -19.906 1.00 22.12 H new ATOM 0 HG22 THR A 52 16.363 13.349 -20.544 1.00 22.12 H new ATOM 0 HG23 THR A 52 18.090 13.751 -20.696 1.00 22.12 H new ATOM 821 N ASN A 53 17.388 16.823 -20.870 1.00 60.05 N ATOM 822 CA ASN A 53 18.224 17.481 -21.868 1.00 3.23 C ATOM 823 C ASN A 53 18.463 18.942 -21.499 1.00 2.24 C ATOM 824 O ASN A 53 18.724 19.777 -22.363 1.00 44.25 O ATOM 825 CB ASN A 53 17.572 17.393 -23.249 1.00 64.41 C ATOM 826 CG ASN A 53 16.394 18.336 -23.394 1.00 33.22 C ATOM 827 OD1 ASN A 53 15.788 18.747 -22.404 1.00 23.12 O ATOM 828 ND2 ASN A 53 16.063 18.683 -24.632 1.00 14.10 N ATOM 0 H ASN A 53 16.386 16.953 -21.008 1.00 60.05 H new ATOM 0 HA ASN A 53 19.186 16.969 -21.895 1.00 3.23 H new ATOM 0 HB2 ASN A 53 18.314 17.623 -24.013 1.00 64.41 H new ATOM 0 HB3 ASN A 53 17.239 16.370 -23.426 1.00 64.41 H new ATOM 0 HD21 ASN A 53 15.278 19.315 -24.792 1.00 14.10 H new ATOM 0 HD22 ASN A 53 16.593 18.318 -25.423 1.00 14.10 H new ATOM 835 N GLY A 54 18.372 19.243 -20.207 1.00 1.24 N ATOM 836 CA GLY A 54 18.581 20.603 -19.745 1.00 44.13 C ATOM 837 C GLY A 54 17.580 21.576 -20.335 1.00 42.14 C ATOM 838 O GLY A 54 17.812 22.785 -20.351 1.00 4.12 O ATOM 0 H GLY A 54 18.157 18.569 -19.472 1.00 1.24 H new ATOM 0 HA2 GLY A 54 18.511 20.629 -18.658 1.00 44.13 H new ATOM 0 HA3 GLY A 54 19.590 20.921 -20.007 1.00 44.13 H new ATOM 842 N LYS A 55 16.463 21.049 -20.825 1.00 31.14 N ATOM 843 CA LYS A 55 15.422 21.878 -21.420 1.00 14.24 C ATOM 844 C LYS A 55 14.037 21.411 -20.981 1.00 43.31 C ATOM 845 O LYS A 55 13.532 20.400 -21.466 1.00 71.53 O ATOM 846 CB LYS A 55 15.523 21.843 -22.946 1.00 44.42 C ATOM 847 CG LYS A 55 14.972 23.087 -23.621 1.00 51.31 C ATOM 848 CD LYS A 55 13.478 22.969 -23.873 1.00 1.32 C ATOM 849 CE LYS A 55 13.177 22.743 -25.347 1.00 3.24 C ATOM 850 NZ LYS A 55 11.818 23.225 -25.716 1.00 14.55 N ATOM 0 H LYS A 55 16.256 20.050 -20.822 1.00 31.14 H new ATOM 0 HA LYS A 55 15.567 22.902 -21.076 1.00 14.24 H new ATOM 0 HB2 LYS A 55 16.568 21.719 -23.230 1.00 44.42 H new ATOM 0 HB3 LYS A 55 14.986 20.970 -23.317 1.00 44.42 H new ATOM 0 HG2 LYS A 55 15.169 23.958 -22.997 1.00 51.31 H new ATOM 0 HG3 LYS A 55 15.490 23.249 -24.566 1.00 51.31 H new ATOM 0 HD2 LYS A 55 13.073 22.144 -23.287 1.00 1.32 H new ATOM 0 HD3 LYS A 55 12.978 23.876 -23.533 1.00 1.32 H new ATOM 0 HE2 LYS A 55 13.922 23.259 -25.953 1.00 3.24 H new ATOM 0 HE3 LYS A 55 13.260 21.681 -25.576 1.00 3.24 H new ATOM 0 HZ1 LYS A 55 11.652 23.053 -26.728 1.00 14.55 H new ATOM 0 HZ2 LYS A 55 11.105 22.715 -25.156 1.00 14.55 H new ATOM 0 HZ3 LYS A 55 11.747 24.244 -25.522 1.00 14.55 H new ATOM 864 N GLN A 56 13.430 22.156 -20.063 1.00 21.34 N ATOM 865 CA GLN A 56 12.104 21.817 -19.560 1.00 53.04 C ATOM 866 C GLN A 56 11.087 21.769 -20.696 1.00 43.24 C ATOM 867 O GLN A 56 11.256 22.430 -21.721 1.00 35.11 O ATOM 868 CB GLN A 56 11.660 22.832 -18.506 1.00 1.33 C ATOM 869 CG GLN A 56 11.429 24.227 -19.064 1.00 13.44 C ATOM 870 CD GLN A 56 11.366 25.286 -17.980 1.00 53.03 C ATOM 871 OE1 GLN A 56 12.362 25.570 -17.315 1.00 41.10 O ATOM 872 NE2 GLN A 56 10.191 25.877 -17.797 1.00 74.14 N ATOM 0 H GLN A 56 13.835 22.998 -19.653 1.00 21.34 H new ATOM 0 HA GLN A 56 12.158 20.829 -19.103 1.00 53.04 H new ATOM 0 HB2 GLN A 56 10.740 22.480 -18.039 1.00 1.33 H new ATOM 0 HB3 GLN A 56 12.416 22.884 -17.722 1.00 1.33 H new ATOM 0 HG2 GLN A 56 12.230 24.473 -19.761 1.00 13.44 H new ATOM 0 HG3 GLN A 56 10.499 24.238 -19.632 1.00 13.44 H new ATOM 0 HE21 GLN A 56 9.391 25.611 -18.371 1.00 74.14 H new ATOM 0 HE22 GLN A 56 10.088 26.597 -17.082 1.00 74.14 H new ATOM 881 N ALA A 57 10.033 20.983 -20.508 1.00 32.25 N ATOM 882 CA ALA A 57 8.988 20.850 -21.516 1.00 4.13 C ATOM 883 C ALA A 57 8.473 22.216 -21.956 1.00 4.33 C ATOM 884 O ALA A 57 8.643 23.222 -21.266 1.00 41.11 O ATOM 885 CB ALA A 57 7.845 20.000 -20.983 1.00 21.45 C ATOM 0 H ALA A 57 9.880 20.428 -19.666 1.00 32.25 H new ATOM 0 HA ALA A 57 9.419 20.355 -22.387 1.00 4.13 H new ATOM 0 HB1 ALA A 57 7.072 19.909 -21.746 1.00 21.45 H new ATOM 0 HB2 ALA A 57 8.218 19.009 -20.725 1.00 21.45 H new ATOM 0 HB3 ALA A 57 7.424 20.472 -20.095 1.00 21.45 H new ATOM 891 N PRO A 58 7.829 22.256 -23.132 1.00 3.24 N ATOM 892 CA PRO A 58 7.277 23.494 -23.690 1.00 34.12 C ATOM 893 C PRO A 58 6.072 23.998 -22.902 1.00 5.12 C ATOM 894 O PRO A 58 5.763 23.485 -21.826 1.00 62.24 O ATOM 895 CB PRO A 58 6.858 23.089 -25.105 1.00 72.52 C ATOM 896 CG PRO A 58 6.615 21.621 -25.023 1.00 15.13 C ATOM 897 CD PRO A 58 7.591 21.096 -24.006 1.00 54.04 C ATOM 0 HA PRO A 58 7.998 24.311 -23.661 1.00 34.12 H new ATOM 0 HB2 PRO A 58 5.961 23.622 -25.420 1.00 72.52 H new ATOM 0 HB3 PRO A 58 7.638 23.321 -25.830 1.00 72.52 H new ATOM 0 HG2 PRO A 58 5.588 21.412 -24.723 1.00 15.13 H new ATOM 0 HG3 PRO A 58 6.767 21.145 -25.992 1.00 15.13 H new ATOM 0 HD2 PRO A 58 7.179 20.253 -23.452 1.00 54.04 H new ATOM 0 HD3 PRO A 58 8.512 20.750 -24.474 1.00 54.04 H new ATOM 905 N ASP A 59 5.396 25.005 -23.444 1.00 4.14 N ATOM 906 CA ASP A 59 4.225 25.578 -22.792 1.00 35.14 C ATOM 907 C ASP A 59 2.973 24.769 -23.116 1.00 35.23 C ATOM 908 O ASP A 59 1.934 24.932 -22.476 1.00 33.42 O ATOM 909 CB ASP A 59 4.033 27.032 -23.225 1.00 2.34 C ATOM 910 CG ASP A 59 4.824 28.001 -22.367 1.00 34.54 C ATOM 911 OD1 ASP A 59 6.068 27.899 -22.351 1.00 40.43 O ATOM 912 OD2 ASP A 59 4.198 28.859 -21.710 1.00 33.14 O ATOM 0 H ASP A 59 5.639 25.441 -24.333 1.00 4.14 H new ATOM 0 HA ASP A 59 4.388 25.547 -21.715 1.00 35.14 H new ATOM 0 HB2 ASP A 59 4.337 27.141 -24.266 1.00 2.34 H new ATOM 0 HB3 ASP A 59 2.974 27.287 -23.174 1.00 2.34 H new ATOM 917 N TRP A 60 3.079 23.899 -24.113 1.00 71.52 N ATOM 918 CA TRP A 60 1.955 23.065 -24.523 1.00 75.20 C ATOM 919 C TRP A 60 2.146 21.626 -24.058 1.00 31.45 C ATOM 920 O TRP A 60 1.580 20.696 -24.634 1.00 61.41 O ATOM 921 CB TRP A 60 1.791 23.105 -26.043 1.00 70.33 C ATOM 922 CG TRP A 60 3.071 22.863 -26.785 1.00 33.31 C ATOM 923 CD1 TRP A 60 4.009 23.794 -27.126 1.00 3.54 C ATOM 924 CD2 TRP A 60 3.551 21.608 -27.279 1.00 32.42 C ATOM 925 NE1 TRP A 60 5.044 23.194 -27.802 1.00 0.14 N ATOM 926 CE2 TRP A 60 4.787 21.853 -27.908 1.00 22.22 C ATOM 927 CE3 TRP A 60 3.058 20.300 -27.249 1.00 50.32 C ATOM 928 CZ2 TRP A 60 5.534 20.839 -28.502 1.00 31.22 C ATOM 929 CZ3 TRP A 60 3.800 19.295 -27.839 1.00 41.14 C ATOM 930 CH2 TRP A 60 5.027 19.568 -28.458 1.00 43.41 C ATOM 0 H TRP A 60 3.932 23.752 -24.653 1.00 71.52 H new ATOM 0 HA TRP A 60 1.053 23.461 -24.057 1.00 75.20 H new ATOM 0 HB2 TRP A 60 1.059 22.355 -26.342 1.00 70.33 H new ATOM 0 HB3 TRP A 60 1.389 24.076 -26.333 1.00 70.33 H new ATOM 0 HD1 TRP A 60 3.947 24.848 -26.898 1.00 3.54 H new ATOM 0 HE1 TRP A 60 5.870 23.670 -28.166 1.00 0.14 H new ATOM 0 HE3 TRP A 60 2.114 20.079 -26.773 1.00 50.32 H new ATOM 0 HZ2 TRP A 60 6.480 21.048 -28.980 1.00 31.22 H new ATOM 0 HZ3 TRP A 60 3.428 18.281 -27.823 1.00 41.14 H new ATOM 0 HH2 TRP A 60 5.584 18.760 -28.909 1.00 43.41 H new ATOM 941 N LEU A 61 2.946 21.448 -23.012 1.00 13.02 N ATOM 942 CA LEU A 61 3.211 20.120 -22.468 1.00 43.54 C ATOM 943 C LEU A 61 2.660 19.992 -21.052 1.00 24.31 C ATOM 944 O LEU A 61 2.672 20.951 -20.281 1.00 54.24 O ATOM 945 CB LEU A 61 4.715 19.838 -22.471 1.00 13.32 C ATOM 946 CG LEU A 61 5.167 18.615 -23.269 1.00 73.11 C ATOM 947 CD1 LEU A 61 4.387 17.381 -22.842 1.00 23.01 C ATOM 948 CD2 LEU A 61 5.002 18.862 -24.762 1.00 23.43 C ATOM 0 H LEU A 61 3.422 22.206 -22.524 1.00 13.02 H new ATOM 0 HA LEU A 61 2.709 19.388 -23.100 1.00 43.54 H new ATOM 0 HB2 LEU A 61 5.228 20.715 -22.866 1.00 13.32 H new ATOM 0 HB3 LEU A 61 5.043 19.715 -21.439 1.00 13.32 H new ATOM 0 HG LEU A 61 6.223 18.441 -23.064 1.00 73.11 H new ATOM 0 HD11 LEU A 61 4.722 16.520 -23.421 1.00 23.01 H new ATOM 0 HD12 LEU A 61 4.555 17.193 -21.782 1.00 23.01 H new ATOM 0 HD13 LEU A 61 3.324 17.544 -23.017 1.00 23.01 H new ATOM 0 HD21 LEU A 61 5.329 17.981 -25.315 1.00 23.43 H new ATOM 0 HD22 LEU A 61 3.954 19.062 -24.984 1.00 23.43 H new ATOM 0 HD23 LEU A 61 5.605 19.720 -25.058 1.00 23.43 H new ATOM 960 N ALA A 62 2.181 18.799 -20.715 1.00 70.11 N ATOM 961 CA ALA A 62 1.630 18.543 -19.390 1.00 50.31 C ATOM 962 C ALA A 62 1.852 17.093 -18.974 1.00 14.23 C ATOM 963 O ALA A 62 2.344 16.281 -19.756 1.00 42.23 O ATOM 964 CB ALA A 62 0.147 18.882 -19.361 1.00 10.11 C ATOM 0 H ALA A 62 2.163 17.994 -21.342 1.00 70.11 H new ATOM 0 HA ALA A 62 2.151 19.182 -18.677 1.00 50.31 H new ATOM 0 HB1 ALA A 62 -0.252 18.686 -18.366 1.00 10.11 H new ATOM 0 HB2 ALA A 62 0.010 19.935 -19.606 1.00 10.11 H new ATOM 0 HB3 ALA A 62 -0.381 18.268 -20.091 1.00 10.11 H new ATOM 970 N ALA A 63 1.485 16.775 -17.736 1.00 43.14 N ATOM 971 CA ALA A 63 1.643 15.422 -17.217 1.00 1.40 C ATOM 972 C ALA A 63 0.666 15.155 -16.077 1.00 25.32 C ATOM 973 O ALA A 63 0.743 15.784 -15.022 1.00 52.02 O ATOM 974 CB ALA A 63 3.074 15.199 -16.752 1.00 5.32 C ATOM 0 H ALA A 63 1.077 17.436 -17.075 1.00 43.14 H new ATOM 0 HA ALA A 63 1.422 14.722 -18.022 1.00 1.40 H new ATOM 0 HB1 ALA A 63 3.178 14.185 -16.367 1.00 5.32 H new ATOM 0 HB2 ALA A 63 3.755 15.340 -17.591 1.00 5.32 H new ATOM 0 HB3 ALA A 63 3.316 15.913 -15.964 1.00 5.32 H new ATOM 980 N GLU A 64 -0.251 14.218 -16.297 1.00 23.12 N ATOM 981 CA GLU A 64 -1.243 13.869 -15.287 1.00 11.31 C ATOM 982 C GLU A 64 -0.925 12.517 -14.656 1.00 20.14 C ATOM 983 O GLU A 64 -0.184 11.704 -15.209 1.00 0.12 O ATOM 984 CB GLU A 64 -2.643 13.840 -15.904 1.00 62.43 C ATOM 985 CG GLU A 64 -3.354 15.182 -15.864 1.00 34.51 C ATOM 986 CD GLU A 64 -3.540 15.785 -17.242 1.00 45.54 C ATOM 987 OE1 GLU A 64 -4.045 15.077 -18.138 1.00 42.41 O ATOM 988 OE2 GLU A 64 -3.179 16.967 -17.425 1.00 1.31 O ATOM 0 H GLU A 64 -0.327 13.688 -17.165 1.00 23.12 H new ATOM 0 HA GLU A 64 -1.213 14.630 -14.507 1.00 11.31 H new ATOM 0 HB2 GLU A 64 -2.567 13.509 -16.940 1.00 62.43 H new ATOM 0 HB3 GLU A 64 -3.248 13.102 -15.377 1.00 62.43 H new ATOM 0 HG2 GLU A 64 -4.328 15.059 -15.391 1.00 34.51 H new ATOM 0 HG3 GLU A 64 -2.783 15.873 -15.243 1.00 34.51 H new