USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 421 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 1 MET CE :methyl 176:sc= 0 (180deg=-0.0033) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.02 (180deg=1.01) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= -0.216 (180deg=-1.68!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.41) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.8!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0493 F(o=-1.9!,f=-0.049) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.0351 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 0.633 (180deg=0.382) USER MOD Single : A 51 THR OG1 : rot 59:sc= 0.0068 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.715 -8.244 8.111 1.00 2.03 N ATOM 2 CA MET A 1 18.647 -9.258 8.594 1.00 34.23 C ATOM 3 C MET A 1 18.270 -10.638 8.067 1.00 73.15 C ATOM 4 O MET A 1 17.167 -11.131 8.315 1.00 63.51 O ATOM 5 CB MET A 1 18.671 -9.272 10.124 1.00 42.53 C ATOM 6 CG MET A 1 19.554 -8.194 10.728 1.00 45.15 C ATOM 7 SD MET A 1 19.799 -8.407 12.502 1.00 3.33 S ATOM 8 CE MET A 1 18.954 -6.962 13.138 1.00 73.52 C ATOM 0 H1 MET A 1 18.030 -7.304 8.427 1.00 2.03 H new ATOM 0 H2 MET A 1 17.684 -8.268 7.072 1.00 2.03 H new ATOM 0 H3 MET A 1 16.766 -8.436 8.490 1.00 2.03 H new ATOM 0 HA MET A 1 19.641 -9.007 8.225 1.00 34.23 H new ATOM 0 HB2 MET A 1 17.654 -9.148 10.496 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.018 -10.247 10.465 1.00 42.53 H new ATOM 0 HG2 MET A 1 20.523 -8.202 10.228 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.107 -7.218 10.542 1.00 45.15 H new ATOM 0 HE1 MET A 1 18.957 -6.989 14.228 1.00 73.52 H new ATOM 0 HE2 MET A 1 19.465 -6.062 12.796 1.00 73.52 H new ATOM 0 HE3 MET A 1 17.925 -6.954 12.778 1.00 73.52 H new ATOM 18 N THR A 2 19.189 -11.260 7.337 1.00 32.33 N ATOM 19 CA THR A 2 18.953 -12.583 6.774 1.00 25.25 C ATOM 20 C THR A 2 19.115 -13.669 7.832 1.00 52.42 C ATOM 21 O THR A 2 20.087 -13.672 8.588 1.00 3.11 O ATOM 22 CB THR A 2 19.912 -12.875 5.603 1.00 23.24 C ATOM 23 OG1 THR A 2 19.918 -11.774 4.689 1.00 35.55 O ATOM 24 CG2 THR A 2 19.502 -14.146 4.872 1.00 50.33 C ATOM 0 H THR A 2 20.106 -10.868 7.121 1.00 32.33 H new ATOM 0 HA THR A 2 17.927 -12.590 6.405 1.00 25.25 H new ATOM 0 HB THR A 2 20.914 -13.015 6.009 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.531 -11.967 3.949 1.00 35.55 H new ATOM 0 HG21 THR A 2 20.193 -14.332 4.050 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.527 -14.988 5.564 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.492 -14.030 4.478 1.00 50.33 H new ATOM 32 N PHE A 3 18.158 -14.590 7.879 1.00 23.24 N ATOM 33 CA PHE A 3 18.195 -15.682 8.845 1.00 31.32 C ATOM 34 C PHE A 3 18.032 -17.030 8.150 1.00 32.01 C ATOM 35 O PHE A 3 17.406 -17.125 7.094 1.00 41.12 O ATOM 36 CB PHE A 3 17.097 -15.499 9.894 1.00 42.31 C ATOM 37 CG PHE A 3 17.560 -14.787 11.131 1.00 33.03 C ATOM 38 CD1 PHE A 3 17.276 -13.444 11.322 1.00 42.10 C ATOM 39 CD2 PHE A 3 18.283 -15.458 12.106 1.00 33.44 C ATOM 40 CE1 PHE A 3 17.701 -12.784 12.460 1.00 51.32 C ATOM 41 CE2 PHE A 3 18.710 -14.804 13.245 1.00 24.41 C ATOM 42 CZ PHE A 3 18.421 -13.465 13.421 1.00 72.31 C ATOM 0 H PHE A 3 17.348 -14.602 7.260 1.00 23.24 H new ATOM 0 HA PHE A 3 19.167 -15.664 9.339 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.272 -14.941 9.451 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.706 -16.477 10.173 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.715 -12.906 10.572 1.00 42.10 H new ATOM 0 HD2 PHE A 3 18.515 -16.504 11.973 1.00 33.44 H new ATOM 0 HE1 PHE A 3 17.470 -11.738 12.597 1.00 51.32 H new ATOM 0 HE2 PHE A 3 19.270 -15.339 13.998 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.758 -12.951 14.309 1.00 72.31 H new ATOM 52 N LYS A 4 18.602 -18.070 8.749 1.00 30.13 N ATOM 53 CA LYS A 4 18.520 -19.415 8.189 1.00 25.34 C ATOM 54 C LYS A 4 17.812 -20.362 9.152 1.00 70.05 C ATOM 55 O LYS A 4 17.955 -20.247 10.370 1.00 25.23 O ATOM 56 CB LYS A 4 19.922 -19.943 7.873 1.00 2.25 C ATOM 57 CG LYS A 4 19.996 -20.728 6.575 1.00 51.01 C ATOM 58 CD LYS A 4 21.140 -21.729 6.594 1.00 12.30 C ATOM 59 CE LYS A 4 22.431 -21.110 6.079 1.00 32.32 C ATOM 60 NZ LYS A 4 23.631 -21.835 6.579 1.00 32.44 N1+ ATOM 0 H LYS A 4 19.126 -18.008 9.622 1.00 30.13 H new ATOM 0 HA LYS A 4 17.941 -19.365 7.267 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.614 -19.103 7.820 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.255 -20.580 8.693 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.055 -21.253 6.412 1.00 51.01 H new ATOM 0 HG3 LYS A 4 20.127 -20.040 5.740 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.290 -22.093 7.611 1.00 12.30 H new ATOM 0 HD3 LYS A 4 20.880 -22.592 5.982 1.00 12.30 H new ATOM 0 HE2 LYS A 4 22.429 -21.120 4.989 1.00 32.32 H new ATOM 0 HE3 LYS A 4 22.482 -20.066 6.389 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 24.490 -21.383 6.206 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 23.647 -21.804 7.618 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 23.595 -22.825 6.262 1.00 32.44 H new ATOM 74 N LEU A 5 17.051 -21.299 8.598 1.00 33.01 N ATOM 75 CA LEU A 5 16.322 -22.269 9.408 1.00 5.52 C ATOM 76 C LEU A 5 16.877 -23.676 9.205 1.00 63.41 C ATOM 77 O LEU A 5 17.140 -24.094 8.077 1.00 54.40 O ATOM 78 CB LEU A 5 14.833 -22.241 9.056 1.00 41.31 C ATOM 79 CG LEU A 5 13.944 -23.228 9.813 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.102 -23.045 11.315 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.489 -23.059 9.403 1.00 71.45 C ATOM 0 H LEU A 5 16.923 -21.408 7.592 1.00 33.01 H new ATOM 0 HA LEU A 5 16.447 -21.996 10.456 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.457 -21.234 9.235 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.729 -22.435 7.988 1.00 41.31 H new ATOM 0 HG LEU A 5 14.257 -24.240 9.556 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.462 -23.756 11.837 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.141 -23.218 11.595 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.817 -22.030 11.590 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.871 -23.770 9.952 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.163 -22.044 9.630 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.389 -23.242 8.333 1.00 71.45 H new ATOM 93 N ILE A 6 17.051 -24.401 10.303 1.00 4.33 N ATOM 94 CA ILE A 6 17.572 -25.762 10.246 1.00 33.32 C ATOM 95 C ILE A 6 16.598 -26.751 10.878 1.00 45.43 C ATOM 96 O ILE A 6 16.416 -26.765 12.096 1.00 53.14 O ATOM 97 CB ILE A 6 18.933 -25.874 10.957 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.024 -25.200 10.124 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.280 -27.333 11.210 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.289 -25.887 8.804 1.00 64.22 C ATOM 0 H ILE A 6 16.839 -24.070 11.244 1.00 4.33 H new ATOM 0 HA ILE A 6 17.701 -26.006 9.192 1.00 33.32 H new ATOM 0 HB ILE A 6 18.867 -25.364 11.918 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.738 -24.165 9.935 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.947 -25.174 10.703 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.245 -27.396 11.713 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.513 -27.786 11.838 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.331 -27.865 10.260 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.074 -25.354 8.268 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.606 -26.914 8.986 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.378 -25.889 8.206 1.00 64.22 H new ATOM 112 N ILE A 7 15.976 -27.576 10.042 1.00 20.51 N ATOM 113 CA ILE A 7 15.023 -28.570 10.521 1.00 51.32 C ATOM 114 C ILE A 7 15.650 -29.960 10.559 1.00 24.33 C ATOM 115 O ILE A 7 15.589 -30.706 9.582 1.00 22.23 O ATOM 116 CB ILE A 7 13.763 -28.613 9.636 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.161 -27.212 9.502 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.742 -29.580 10.215 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.013 -27.140 8.520 1.00 50.13 C ATOM 0 H ILE A 7 16.115 -27.576 9.031 1.00 20.51 H new ATOM 0 HA ILE A 7 14.739 -28.274 11.531 1.00 51.32 H new ATOM 0 HB ILE A 7 14.045 -28.964 8.644 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.813 -26.879 10.480 1.00 1.21 H new ATOM 0 HG13 ILE A 7 13.941 -26.518 9.188 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.857 -29.599 9.579 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.175 -30.579 10.265 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.461 -29.256 11.217 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.635 -26.118 8.476 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.360 -27.442 7.532 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.215 -27.808 8.844 1.00 50.13 H new ATOM 131 N ASN A 8 16.254 -30.301 11.693 1.00 64.41 N ATOM 132 CA ASN A 8 16.892 -31.601 11.857 1.00 62.14 C ATOM 133 C ASN A 8 15.849 -32.709 11.960 1.00 34.41 C ATOM 134 O ASN A 8 15.503 -33.151 13.056 1.00 1.43 O ATOM 135 CB ASN A 8 17.778 -31.602 13.106 1.00 1.04 C ATOM 136 CG ASN A 8 18.592 -32.876 13.236 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.331 -33.865 12.551 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.583 -32.856 14.118 1.00 14.42 N ATOM 0 H ASN A 8 16.315 -29.695 12.511 1.00 64.41 H new ATOM 0 HA ASN A 8 17.510 -31.789 10.979 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.451 -30.746 13.071 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.154 -31.481 13.991 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.165 -33.683 14.250 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.763 -32.013 14.664 1.00 14.42 H new ATOM 145 N GLY A 9 15.352 -33.156 10.812 1.00 25.24 N ATOM 146 CA GLY A 9 14.353 -34.208 10.792 1.00 42.23 C ATOM 147 C GLY A 9 14.917 -35.533 10.322 1.00 54.12 C ATOM 148 O GLY A 9 15.541 -35.610 9.263 1.00 64.31 O ATOM 0 H GLY A 9 15.624 -32.807 9.893 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.936 -34.328 11.792 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.532 -33.913 10.138 1.00 42.23 H new ATOM 152 N LYS A 10 14.700 -36.581 11.110 1.00 20.14 N ATOM 153 CA LYS A 10 15.192 -37.911 10.768 1.00 61.12 C ATOM 154 C LYS A 10 14.399 -38.503 9.608 1.00 44.41 C ATOM 155 O LYS A 10 14.906 -39.335 8.856 1.00 51.54 O ATOM 156 CB LYS A 10 15.105 -38.836 11.985 1.00 74.11 C ATOM 157 CG LYS A 10 15.710 -38.243 13.245 1.00 52.15 C ATOM 158 CD LYS A 10 16.106 -39.325 14.235 1.00 52.11 C ATOM 159 CE LYS A 10 14.934 -39.728 15.119 1.00 33.45 C ATOM 160 NZ LYS A 10 15.187 -41.018 15.820 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.187 -36.535 11.990 1.00 20.14 H new ATOM 0 HA LYS A 10 16.234 -37.819 10.462 1.00 61.12 H new ATOM 0 HB2 LYS A 10 14.059 -39.077 12.173 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.612 -39.773 11.755 1.00 74.11 H new ATOM 0 HG2 LYS A 10 16.586 -37.649 12.984 1.00 52.15 H new ATOM 0 HG3 LYS A 10 14.993 -37.567 13.711 1.00 52.15 H new ATOM 0 HD2 LYS A 10 16.472 -40.198 13.695 1.00 52.11 H new ATOM 0 HD3 LYS A 10 16.927 -38.968 14.857 1.00 52.11 H new ATOM 0 HE2 LYS A 10 14.748 -38.945 15.854 1.00 33.45 H new ATOM 0 HE3 LYS A 10 14.033 -39.815 14.511 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 14.366 -41.258 16.412 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 15.340 -41.770 15.118 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 16.032 -40.927 16.420 1.00 33.12 H new ATOM 174 N THR A 11 13.151 -38.067 9.466 1.00 15.21 N ATOM 175 CA THR A 11 12.289 -38.552 8.396 1.00 62.22 C ATOM 176 C THR A 11 12.189 -37.537 7.265 1.00 61.24 C ATOM 177 O THR A 11 11.948 -37.897 6.112 1.00 32.30 O ATOM 178 CB THR A 11 10.872 -38.867 8.916 1.00 70.54 C ATOM 179 OG1 THR A 11 10.100 -39.490 7.885 1.00 73.10 O ATOM 180 CG2 THR A 11 10.174 -37.598 9.382 1.00 44.40 C ATOM 0 H THR A 11 12.715 -37.378 10.079 1.00 15.21 H new ATOM 0 HA THR A 11 12.742 -39.468 8.017 1.00 62.22 H new ATOM 0 HB THR A 11 10.961 -39.547 9.763 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.202 -39.688 8.223 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.176 -37.844 9.745 1.00 44.40 H new ATOM 0 HG22 THR A 11 10.750 -37.140 10.186 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.095 -36.899 8.549 1.00 44.40 H new ATOM 188 N LEU A 12 12.378 -36.266 7.600 1.00 23.00 N ATOM 189 CA LEU A 12 12.309 -35.195 6.611 1.00 43.11 C ATOM 190 C LEU A 12 13.139 -33.993 7.050 1.00 4.35 C ATOM 191 O LEU A 12 12.813 -33.324 8.031 1.00 72.22 O ATOM 192 CB LEU A 12 10.857 -34.771 6.387 1.00 64.33 C ATOM 193 CG LEU A 12 10.518 -34.244 4.993 1.00 11.33 C ATOM 194 CD1 LEU A 12 11.334 -32.999 4.680 1.00 33.21 C ATOM 195 CD2 LEU A 12 10.759 -35.319 3.943 1.00 70.53 C ATOM 0 H LEU A 12 12.580 -35.951 8.549 1.00 23.00 H new ATOM 0 HA LEU A 12 12.718 -35.574 5.675 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.214 -35.626 6.596 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.609 -33.999 7.115 1.00 64.33 H new ATOM 0 HG LEU A 12 9.462 -33.976 4.974 1.00 11.33 H new ATOM 0 HD11 LEU A 12 11.079 -32.638 3.684 1.00 33.21 H new ATOM 0 HD12 LEU A 12 11.112 -32.225 5.414 1.00 33.21 H new ATOM 0 HD13 LEU A 12 12.396 -33.241 4.718 1.00 33.21 H new ATOM 0 HD21 LEU A 12 10.512 -34.926 2.957 1.00 70.53 H new ATOM 0 HD22 LEU A 12 11.807 -35.618 3.963 1.00 70.53 H new ATOM 0 HD23 LEU A 12 10.131 -36.184 4.157 1.00 70.53 H new ATOM 207 N LYS A 13 14.216 -33.725 6.318 1.00 21.15 N ATOM 208 CA LYS A 13 15.092 -32.601 6.630 1.00 13.53 C ATOM 209 C LYS A 13 14.941 -31.490 5.594 1.00 62.51 C ATOM 210 O LYS A 13 14.549 -31.739 4.457 1.00 23.21 O ATOM 211 CB LYS A 13 16.549 -33.066 6.686 1.00 14.43 C ATOM 212 CG LYS A 13 17.418 -32.228 7.609 1.00 1.44 C ATOM 213 CD LYS A 13 18.858 -32.715 7.613 1.00 42.34 C ATOM 214 CE LYS A 13 19.615 -32.224 6.388 1.00 71.21 C ATOM 215 NZ LYS A 13 19.497 -33.171 5.245 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.503 -34.270 5.505 1.00 21.15 H new ATOM 0 HA LYS A 13 14.804 -32.206 7.605 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.578 -34.104 7.016 1.00 14.43 H new ATOM 0 HB3 LYS A 13 16.969 -33.039 5.681 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.386 -31.185 7.293 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.017 -32.266 8.622 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.359 -32.366 8.516 1.00 42.34 H new ATOM 0 HD3 LYS A 13 18.875 -33.805 7.640 1.00 42.34 H new ATOM 0 HE2 LYS A 13 19.231 -31.248 6.092 1.00 71.21 H new ATOM 0 HE3 LYS A 13 20.667 -32.090 6.641 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 20.438 -33.543 5.004 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 18.871 -33.958 5.510 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 19.100 -32.674 4.422 1.00 31.45 H new ATOM 229 N GLY A 14 15.257 -30.265 5.999 1.00 64.41 N ATOM 230 CA GLY A 14 15.151 -29.135 5.095 1.00 2.42 C ATOM 231 C GLY A 14 15.635 -27.842 5.722 1.00 5.42 C ATOM 232 O GLY A 14 16.204 -27.850 6.814 1.00 43.14 O ATOM 0 H GLY A 14 15.585 -30.034 6.937 1.00 64.41 H new ATOM 0 HA2 GLY A 14 15.732 -29.338 4.195 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.113 -29.018 4.785 1.00 2.42 H new ATOM 236 N GLU A 15 15.408 -26.730 5.030 1.00 34.54 N ATOM 237 CA GLU A 15 15.829 -25.423 5.527 1.00 71.41 C ATOM 238 C GLU A 15 15.151 -24.302 4.745 1.00 64.34 C ATOM 239 O GLU A 15 14.680 -24.505 3.625 1.00 1.11 O ATOM 240 CB GLU A 15 17.349 -25.281 5.430 1.00 73.45 C ATOM 241 CG GLU A 15 17.888 -25.460 4.022 1.00 42.33 C ATOM 242 CD GLU A 15 18.085 -26.917 3.654 1.00 65.22 C ATOM 243 OE1 GLU A 15 18.751 -27.640 4.424 1.00 13.12 O ATOM 244 OE2 GLU A 15 17.574 -27.337 2.594 1.00 51.34 O1- ATOM 0 H GLU A 15 14.936 -26.707 4.126 1.00 34.54 H new ATOM 0 HA GLU A 15 15.531 -25.346 6.573 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.638 -24.296 5.798 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.817 -26.016 6.085 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.200 -25.000 3.312 1.00 42.33 H new ATOM 0 HG3 GLU A 15 18.839 -24.934 3.931 1.00 42.33 H new ATOM 251 N THR A 16 15.104 -23.115 5.345 1.00 30.23 N ATOM 252 CA THR A 16 14.483 -21.961 4.707 1.00 24.41 C ATOM 253 C THR A 16 15.023 -20.658 5.286 1.00 65.30 C ATOM 254 O THR A 16 15.535 -20.628 6.404 1.00 35.35 O ATOM 255 CB THR A 16 12.951 -21.986 4.869 1.00 23.35 C ATOM 256 OG1 THR A 16 12.385 -20.773 4.363 1.00 41.12 O ATOM 257 CG2 THR A 16 12.565 -22.162 6.330 1.00 10.41 C ATOM 0 H THR A 16 15.489 -22.929 6.271 1.00 30.23 H new ATOM 0 HA THR A 16 14.729 -22.015 3.646 1.00 24.41 H new ATOM 0 HB THR A 16 12.561 -22.831 4.302 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.411 -20.798 4.468 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.479 -22.177 6.420 1.00 10.41 H new ATOM 0 HG22 THR A 16 12.973 -23.101 6.703 1.00 10.41 H new ATOM 0 HG23 THR A 16 12.966 -21.334 6.915 1.00 10.41 H new ATOM 265 N THR A 17 14.905 -19.581 4.515 1.00 54.32 N ATOM 266 CA THR A 17 15.382 -18.274 4.950 1.00 12.31 C ATOM 267 C THR A 17 14.317 -17.203 4.741 1.00 23.20 C ATOM 268 O THR A 17 13.545 -17.258 3.783 1.00 35.13 O ATOM 269 CB THR A 17 16.661 -17.864 4.198 1.00 33.43 C ATOM 270 OG1 THR A 17 16.361 -17.615 2.820 1.00 1.33 O ATOM 271 CG2 THR A 17 17.722 -18.948 4.303 1.00 2.04 C ATOM 0 H THR A 17 14.483 -19.588 3.586 1.00 54.32 H new ATOM 0 HA THR A 17 15.606 -18.357 6.013 1.00 12.31 H new ATOM 0 HB THR A 17 17.048 -16.954 4.655 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.180 -17.353 2.349 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.616 -18.635 3.764 1.00 2.04 H new ATOM 0 HG22 THR A 17 17.970 -19.114 5.351 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.342 -19.873 3.869 1.00 2.04 H new ATOM 279 N THR A 18 14.280 -16.227 5.642 1.00 1.12 N ATOM 280 CA THR A 18 13.310 -15.143 5.558 1.00 0.52 C ATOM 281 C THR A 18 13.908 -13.830 6.051 1.00 45.23 C ATOM 282 O THR A 18 14.319 -13.720 7.206 1.00 15.53 O ATOM 283 CB THR A 18 12.043 -15.456 6.375 1.00 64.43 C ATOM 284 OG1 THR A 18 11.159 -14.329 6.362 1.00 33.34 O ATOM 285 CG2 THR A 18 12.400 -15.809 7.811 1.00 40.51 C ATOM 0 H THR A 18 14.912 -16.165 6.440 1.00 1.12 H new ATOM 0 HA THR A 18 13.039 -15.044 4.507 1.00 0.52 H new ATOM 0 HB THR A 18 11.546 -16.312 5.919 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.355 -14.538 6.883 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.489 -16.026 8.369 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.049 -16.685 7.820 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.918 -14.969 8.274 1.00 40.51 H new ATOM 293 N GLU A 19 13.953 -12.837 5.168 1.00 35.24 N ATOM 294 CA GLU A 19 14.501 -11.531 5.516 1.00 14.34 C ATOM 295 C GLU A 19 13.537 -10.758 6.410 1.00 73.40 C ATOM 296 O GLU A 19 12.493 -10.287 5.957 1.00 13.11 O ATOM 297 CB GLU A 19 14.798 -10.725 4.250 1.00 73.50 C ATOM 298 CG GLU A 19 15.959 -9.756 4.404 1.00 40.15 C ATOM 299 CD GLU A 19 16.030 -8.746 3.275 1.00 11.31 C ATOM 300 OE1 GLU A 19 17.084 -8.675 2.608 1.00 30.40 O ATOM 301 OE2 GLU A 19 15.032 -8.028 3.057 1.00 34.34 O1- ATOM 0 H GLU A 19 13.617 -12.912 4.208 1.00 35.24 H new ATOM 0 HA GLU A 19 15.430 -11.689 6.064 1.00 14.34 H new ATOM 0 HB2 GLU A 19 15.016 -11.414 3.434 1.00 73.50 H new ATOM 0 HB3 GLU A 19 13.905 -10.167 3.967 1.00 73.50 H new ATOM 0 HG2 GLU A 19 15.863 -9.228 5.353 1.00 40.15 H new ATOM 0 HG3 GLU A 19 16.893 -10.317 4.444 1.00 40.15 H new ATOM 308 N ALA A 20 13.894 -10.629 7.684 1.00 74.44 N ATOM 309 CA ALA A 20 13.061 -9.912 8.643 1.00 23.12 C ATOM 310 C ALA A 20 13.854 -8.810 9.340 1.00 54.32 C ATOM 311 O ALA A 20 15.062 -8.680 9.143 1.00 42.41 O ATOM 312 CB ALA A 20 12.484 -10.878 9.666 1.00 33.00 C ATOM 0 H ALA A 20 14.754 -11.012 8.076 1.00 74.44 H new ATOM 0 HA ALA A 20 12.240 -9.445 8.098 1.00 23.12 H new ATOM 0 HB1 ALA A 20 11.865 -10.329 10.375 1.00 33.00 H new ATOM 0 HB2 ALA A 20 11.877 -11.627 9.157 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.297 -11.371 10.199 1.00 33.00 H new ATOM 318 N VAL A 21 13.165 -8.020 10.157 1.00 3.03 N ATOM 319 CA VAL A 21 13.804 -6.930 10.885 1.00 53.14 C ATOM 320 C VAL A 21 14.415 -7.425 12.191 1.00 3.01 C ATOM 321 O VAL A 21 15.361 -6.831 12.710 1.00 4.54 O ATOM 322 CB VAL A 21 12.805 -5.799 11.192 1.00 33.31 C ATOM 323 CG1 VAL A 21 12.266 -5.197 9.904 1.00 23.31 C ATOM 324 CG2 VAL A 21 11.670 -6.315 12.066 1.00 5.33 C ATOM 0 H VAL A 21 12.164 -8.114 10.331 1.00 3.03 H new ATOM 0 HA VAL A 21 14.595 -6.541 10.243 1.00 53.14 H new ATOM 0 HB VAL A 21 13.328 -5.014 11.739 1.00 33.31 H new ATOM 0 HG11 VAL A 21 11.562 -4.400 10.142 1.00 23.31 H new ATOM 0 HG12 VAL A 21 13.091 -4.790 9.319 1.00 23.31 H new ATOM 0 HG13 VAL A 21 11.758 -5.969 9.326 1.00 23.31 H new ATOM 0 HG21 VAL A 21 10.973 -5.503 12.274 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.147 -7.118 11.547 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.076 -6.693 13.004 1.00 5.33 H new ATOM 334 N ASP A 22 13.867 -8.514 12.718 1.00 31.34 N ATOM 335 CA ASP A 22 14.359 -9.090 13.964 1.00 34.11 C ATOM 336 C ASP A 22 14.146 -10.600 13.985 1.00 64.45 C ATOM 337 O ASP A 22 13.355 -11.137 13.210 1.00 24.43 O ATOM 338 CB ASP A 22 13.657 -8.446 15.161 1.00 2.35 C ATOM 339 CG ASP A 22 13.967 -6.967 15.287 1.00 12.32 C ATOM 340 OD1 ASP A 22 13.017 -6.157 15.246 1.00 25.10 O ATOM 341 OD2 ASP A 22 15.157 -6.621 15.427 1.00 2.01 O1- ATOM 0 H ASP A 22 13.082 -9.016 12.302 1.00 31.34 H new ATOM 0 HA ASP A 22 15.429 -8.891 14.031 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.580 -8.581 15.063 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.961 -8.957 16.075 1.00 2.35 H new ATOM 346 N ALA A 23 14.857 -11.281 14.878 1.00 45.21 N ATOM 347 CA ALA A 23 14.746 -12.728 15.002 1.00 14.32 C ATOM 348 C ALA A 23 13.297 -13.150 15.220 1.00 51.22 C ATOM 349 O ALA A 23 12.855 -14.177 14.706 1.00 61.02 O ATOM 350 CB ALA A 23 15.621 -13.231 16.140 1.00 11.53 C ATOM 0 H ALA A 23 15.517 -10.852 15.527 1.00 45.21 H new ATOM 0 HA ALA A 23 15.092 -13.175 14.070 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.527 -14.314 16.220 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.661 -12.971 15.942 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.303 -12.769 17.075 1.00 11.53 H new ATOM 356 N ALA A 24 12.561 -12.352 15.988 1.00 24.41 N ATOM 357 CA ALA A 24 11.162 -12.643 16.272 1.00 54.51 C ATOM 358 C ALA A 24 10.298 -12.451 15.031 1.00 3.13 C ATOM 359 O ALA A 24 9.340 -13.194 14.807 1.00 23.22 O ATOM 360 CB ALA A 24 10.661 -11.763 17.409 1.00 61.03 C ATOM 0 H ALA A 24 12.911 -11.499 16.424 1.00 24.41 H new ATOM 0 HA ALA A 24 11.088 -13.687 16.575 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.614 -11.991 17.611 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.253 -11.953 18.304 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.756 -10.715 17.127 1.00 61.03 H new ATOM 366 N THR A 25 10.640 -11.449 14.226 1.00 1.15 N ATOM 367 CA THR A 25 9.894 -11.159 13.008 1.00 53.23 C ATOM 368 C THR A 25 10.087 -12.257 11.969 1.00 30.45 C ATOM 369 O THR A 25 9.157 -12.608 11.243 1.00 63.44 O ATOM 370 CB THR A 25 10.320 -9.810 12.397 1.00 71.03 C ATOM 371 OG1 THR A 25 10.303 -8.790 13.401 1.00 61.13 O ATOM 372 CG2 THR A 25 9.395 -9.418 11.254 1.00 61.04 C ATOM 0 H THR A 25 11.429 -10.825 14.396 1.00 1.15 H new ATOM 0 HA THR A 25 8.842 -11.108 13.287 1.00 53.23 H new ATOM 0 HB THR A 25 11.332 -9.917 12.005 1.00 71.03 H new ATOM 0 HG1 THR A 25 9.803 -8.015 13.071 1.00 61.13 H new ATOM 0 HG21 THR A 25 9.715 -8.463 10.838 1.00 61.04 H new ATOM 0 HG22 THR A 25 9.432 -10.182 10.478 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.375 -9.328 11.626 1.00 61.04 H new ATOM 380 N ALA A 26 11.298 -12.799 11.906 1.00 14.02 N ATOM 381 CA ALA A 26 11.612 -13.861 10.958 1.00 64.04 C ATOM 382 C ALA A 26 11.133 -15.214 11.470 1.00 75.33 C ATOM 383 O ALA A 26 10.535 -15.992 10.726 1.00 62.32 O ATOM 384 CB ALA A 26 13.109 -13.899 10.683 1.00 21.44 C ATOM 0 H ALA A 26 12.079 -12.520 12.500 1.00 14.02 H new ATOM 0 HA ALA A 26 11.088 -13.648 10.026 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.328 -14.697 9.974 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.426 -12.944 10.265 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.645 -14.084 11.614 1.00 21.44 H new ATOM 390 N GLU A 27 11.397 -15.488 12.744 1.00 43.32 N ATOM 391 CA GLU A 27 10.992 -16.748 13.354 1.00 43.14 C ATOM 392 C GLU A 27 9.500 -16.997 13.151 1.00 11.53 C ATOM 393 O GLU A 27 9.062 -18.138 13.006 1.00 74.20 O ATOM 394 CB GLU A 27 11.322 -16.747 14.847 1.00 72.21 C ATOM 395 CG GLU A 27 10.760 -17.944 15.597 1.00 34.42 C ATOM 396 CD GLU A 27 11.241 -18.011 17.033 1.00 24.33 C ATOM 397 OE1 GLU A 27 12.458 -17.842 17.259 1.00 1.45 O ATOM 398 OE2 GLU A 27 10.402 -18.236 17.930 1.00 75.42 O1- ATOM 0 H GLU A 27 11.890 -14.854 13.373 1.00 43.32 H new ATOM 0 HA GLU A 27 11.546 -17.551 12.868 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.405 -16.727 14.971 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.933 -15.833 15.296 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.671 -17.897 15.584 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.046 -18.859 15.079 1.00 34.42 H new ATOM 405 N LYS A 28 8.723 -15.919 13.143 1.00 10.53 N ATOM 406 CA LYS A 28 7.281 -16.018 12.957 1.00 11.42 C ATOM 407 C LYS A 28 6.946 -16.838 11.715 1.00 42.33 C ATOM 408 O LYS A 28 5.971 -17.590 11.699 1.00 43.53 O ATOM 409 CB LYS A 28 6.664 -14.621 12.841 1.00 1.23 C ATOM 410 CG LYS A 28 5.159 -14.636 12.640 1.00 4.35 C ATOM 411 CD LYS A 28 4.427 -14.969 13.929 1.00 51.12 C ATOM 412 CE LYS A 28 4.246 -13.736 14.803 1.00 54.21 C ATOM 413 NZ LYS A 28 3.038 -12.956 14.414 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.068 -14.967 13.263 1.00 10.53 H new ATOM 0 HA LYS A 28 6.862 -16.523 13.827 1.00 11.42 H new ATOM 0 HB2 LYS A 28 6.896 -14.054 13.743 1.00 1.23 H new ATOM 0 HB3 LYS A 28 7.128 -14.096 12.006 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.830 -13.663 12.275 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.901 -15.368 11.874 1.00 4.35 H new ATOM 0 HD2 LYS A 28 3.452 -15.396 13.695 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.984 -15.728 14.479 1.00 51.12 H new ATOM 0 HE2 LYS A 28 4.163 -14.039 15.847 1.00 54.21 H new ATOM 0 HE3 LYS A 28 5.129 -13.102 14.725 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 2.948 -12.124 15.032 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 3.129 -12.645 13.426 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.192 -13.553 14.513 1.00 52.40 H new ATOM 427 N VAL A 29 7.762 -16.688 10.677 1.00 55.33 N ATOM 428 CA VAL A 29 7.553 -17.418 9.431 1.00 74.14 C ATOM 429 C VAL A 29 8.228 -18.784 9.474 1.00 45.15 C ATOM 430 O VAL A 29 7.730 -19.753 8.899 1.00 41.12 O ATOM 431 CB VAL A 29 8.093 -16.629 8.222 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.837 -17.391 6.931 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.466 -15.244 8.168 1.00 32.35 C ATOM 0 H VAL A 29 8.573 -16.069 10.673 1.00 55.33 H new ATOM 0 HA VAL A 29 6.477 -17.551 9.319 1.00 74.14 H new ATOM 0 HB VAL A 29 9.170 -16.510 8.338 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.225 -16.819 6.088 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.337 -18.358 6.974 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.765 -17.542 6.804 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.858 -14.700 7.309 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.384 -15.338 8.075 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.706 -14.700 9.082 1.00 32.35 H new ATOM 443 N LEU A 30 9.365 -18.856 10.159 1.00 22.41 N ATOM 444 CA LEU A 30 10.108 -20.104 10.279 1.00 71.11 C ATOM 445 C LEU A 30 9.264 -21.179 10.958 1.00 21.34 C ATOM 446 O LEU A 30 9.118 -22.286 10.441 1.00 3.24 O ATOM 447 CB LEU A 30 11.398 -19.877 11.070 1.00 44.45 C ATOM 448 CG LEU A 30 12.353 -18.824 10.510 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.640 -18.784 11.319 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.651 -19.097 9.044 1.00 70.44 C ATOM 0 H LEU A 30 9.792 -18.064 10.639 1.00 22.41 H new ATOM 0 HA LEU A 30 10.359 -20.447 9.275 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.131 -19.592 12.087 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.932 -20.825 11.135 1.00 44.45 H new ATOM 0 HG LEU A 30 11.870 -17.850 10.586 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.307 -18.028 10.905 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.411 -18.537 12.355 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.126 -19.759 11.278 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.333 -18.336 8.664 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.111 -20.080 8.943 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.723 -19.071 8.473 1.00 70.44 H new ATOM 462 N LYS A 31 8.708 -20.842 12.117 1.00 35.54 N ATOM 463 CA LYS A 31 7.875 -21.776 12.865 1.00 4.33 C ATOM 464 C LYS A 31 6.741 -22.311 11.997 1.00 65.22 C ATOM 465 O LYS A 31 6.309 -23.451 12.159 1.00 4.33 O ATOM 466 CB LYS A 31 7.300 -21.095 14.110 1.00 23.41 C ATOM 467 CG LYS A 31 6.283 -20.012 13.795 1.00 4.34 C ATOM 468 CD LYS A 31 5.773 -19.341 15.060 1.00 42.12 C ATOM 469 CE LYS A 31 6.884 -18.593 15.780 1.00 21.52 C ATOM 470 NZ LYS A 31 6.352 -17.713 16.857 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.819 -19.929 12.558 1.00 35.54 H new ATOM 0 HA LYS A 31 8.500 -22.614 13.172 1.00 4.33 H new ATOM 0 HB2 LYS A 31 6.831 -21.849 14.743 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.117 -20.659 14.685 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.736 -19.265 13.143 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.445 -20.446 13.249 1.00 4.34 H new ATOM 0 HD2 LYS A 31 4.971 -18.648 14.807 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.348 -20.092 15.726 1.00 42.12 H new ATOM 0 HE2 LYS A 31 7.585 -19.309 16.209 1.00 21.52 H new ATOM 0 HE3 LYS A 31 7.442 -17.992 15.062 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 7.140 -17.221 17.324 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 5.702 -17.013 16.444 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 5.841 -18.290 17.556 1.00 51.51 H new ATOM 484 N GLN A 32 6.265 -21.479 11.075 1.00 0.41 N ATOM 485 CA GLN A 32 5.183 -21.869 10.180 1.00 31.03 C ATOM 486 C GLN A 32 5.685 -22.823 9.102 1.00 72.23 C ATOM 487 O GLN A 32 4.977 -23.746 8.697 1.00 71.20 O ATOM 488 CB GLN A 32 4.557 -20.633 9.534 1.00 14.11 C ATOM 489 CG GLN A 32 3.127 -20.849 9.066 1.00 32.21 C ATOM 490 CD GLN A 32 2.224 -21.367 10.169 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.729 -20.597 10.993 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.004 -22.676 10.191 1.00 2.52 N ATOM 0 H GLN A 32 6.612 -20.531 10.929 1.00 0.41 H new ATOM 0 HA GLN A 32 4.425 -22.384 10.770 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.576 -19.811 10.249 1.00 14.11 H new ATOM 0 HB3 GLN A 32 5.167 -20.330 8.683 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.727 -19.909 8.686 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.123 -21.556 8.236 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.435 -23.277 9.489 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.404 -23.080 10.910 1.00 2.52 H new ATOM 501 N TYR A 33 6.910 -22.595 8.640 1.00 71.01 N ATOM 502 CA TYR A 33 7.506 -23.433 7.606 1.00 11.44 C ATOM 503 C TYR A 33 7.518 -24.898 8.031 1.00 52.42 C ATOM 504 O TYR A 33 7.084 -25.776 7.287 1.00 14.22 O ATOM 505 CB TYR A 33 8.930 -22.967 7.301 1.00 65.32 C ATOM 506 CG TYR A 33 9.508 -23.571 6.042 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.556 -22.844 4.858 1.00 13.33 C ATOM 508 CD2 TYR A 33 10.004 -24.868 6.034 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.083 -23.392 3.704 1.00 41.43 C ATOM 510 CE2 TYR A 33 10.534 -25.423 4.885 1.00 13.20 C ATOM 511 CZ TYR A 33 10.572 -24.681 3.723 1.00 71.22 C ATOM 512 OH TYR A 33 11.097 -25.231 2.576 1.00 45.24 O ATOM 0 H TYR A 33 7.510 -21.837 8.965 1.00 71.01 H new ATOM 0 HA TYR A 33 6.900 -23.340 6.705 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.936 -21.881 7.209 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.574 -23.219 8.144 1.00 65.32 H new ATOM 0 HD1 TYR A 33 9.175 -21.834 4.840 1.00 13.33 H new ATOM 0 HD2 TYR A 33 9.975 -25.453 6.941 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.112 -22.814 2.792 1.00 41.43 H new ATOM 0 HE2 TYR A 33 10.917 -26.433 4.897 1.00 13.20 H new ATOM 0 HH TYR A 33 11.398 -26.145 2.760 1.00 45.24 H new ATOM 522 N ALA A 34 8.018 -25.154 9.237 1.00 65.10 N ATOM 523 CA ALA A 34 8.085 -26.511 9.764 1.00 15.14 C ATOM 524 C ALA A 34 6.690 -27.054 10.057 1.00 13.42 C ATOM 525 O ALA A 34 6.332 -28.143 9.610 1.00 52.15 O ATOM 526 CB ALA A 34 8.943 -26.548 11.019 1.00 34.13 C ATOM 0 H ALA A 34 8.382 -24.439 9.866 1.00 65.10 H new ATOM 0 HA ALA A 34 8.543 -27.147 9.007 1.00 15.14 H new ATOM 0 HB1 ALA A 34 8.984 -27.568 11.402 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.951 -26.209 10.781 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.510 -25.894 11.775 1.00 34.13 H new ATOM 532 N ASN A 35 5.908 -26.289 10.811 1.00 4.40 N ATOM 533 CA ASN A 35 4.553 -26.696 11.165 1.00 31.34 C ATOM 534 C ASN A 35 3.760 -27.086 9.922 1.00 43.03 C ATOM 535 O ASN A 35 3.166 -28.163 9.863 1.00 20.12 O ATOM 536 CB ASN A 35 3.837 -25.567 11.908 1.00 3.41 C ATOM 537 CG ASN A 35 2.609 -26.054 12.653 1.00 1.54 C ATOM 538 OD1 ASN A 35 1.894 -26.938 12.184 1.00 2.23 O ATOM 539 ND2 ASN A 35 2.358 -25.475 13.823 1.00 14.42 N ATOM 0 H ASN A 35 6.189 -25.384 11.189 1.00 4.40 H new ATOM 0 HA ASN A 35 4.620 -27.566 11.818 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.527 -25.105 12.614 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.545 -24.795 11.196 1.00 3.41 H new ATOM 0 HD21 ASN A 35 1.545 -25.760 14.369 1.00 14.42 H new ATOM 0 HD22 ASN A 35 2.978 -24.745 14.174 1.00 14.42 H new ATOM 546 N ASP A 36 3.754 -26.202 8.930 1.00 53.14 N ATOM 547 CA ASP A 36 3.036 -26.453 7.687 1.00 3.55 C ATOM 548 C ASP A 36 3.488 -27.764 7.050 1.00 42.33 C ATOM 549 O ASP A 36 2.717 -28.433 6.367 1.00 4.33 O ATOM 550 CB ASP A 36 3.246 -25.296 6.708 1.00 33.04 C ATOM 551 CG ASP A 36 2.352 -25.399 5.489 1.00 53.01 C ATOM 552 OD1 ASP A 36 2.887 -25.531 4.368 1.00 24.45 O ATOM 553 OD2 ASP A 36 1.115 -25.345 5.655 1.00 4.10 O1- ATOM 0 H ASP A 36 4.239 -25.305 8.963 1.00 53.14 H new ATOM 0 HA ASP A 36 1.974 -26.532 7.921 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.052 -24.353 7.218 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.288 -25.278 6.390 1.00 33.04 H new ATOM 558 N ASN A 37 4.748 -28.121 7.282 1.00 42.23 N ATOM 559 CA ASN A 37 5.306 -29.350 6.730 1.00 52.53 C ATOM 560 C ASN A 37 5.031 -30.534 7.652 1.00 42.51 C ATOM 561 O ASN A 37 5.122 -31.690 7.241 1.00 31.02 O ATOM 562 CB ASN A 37 6.812 -29.199 6.511 1.00 15.40 C ATOM 563 CG ASN A 37 7.138 -28.398 5.264 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.441 -27.284 5.078 1.00 60.52 O flip ATOM 565 ND2 ASN A 37 8.005 -28.778 4.478 1.00 73.23 N flip ATOM 0 H ASN A 37 5.400 -27.577 7.847 1.00 42.23 H new ATOM 0 HA ASN A 37 4.824 -29.539 5.771 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.255 -28.711 7.379 1.00 15.40 H new ATOM 0 HB3 ASN A 37 7.266 -30.187 6.434 1.00 15.40 H new ATOM 0 HD21 ASN A 37 8.516 -29.641 4.661 1.00 73.23 H new ATOM 0 HD22 ASN A 37 8.212 -28.230 3.643 1.00 73.23 H new ATOM 572 N GLY A 38 4.695 -30.238 8.904 1.00 51.42 N ATOM 573 CA GLY A 38 4.413 -31.286 9.866 1.00 22.24 C ATOM 574 C GLY A 38 5.592 -31.575 10.773 1.00 34.14 C ATOM 575 O GLY A 38 5.738 -32.688 11.277 1.00 33.12 O ATOM 0 H GLY A 38 4.613 -29.289 9.269 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.555 -30.996 10.472 1.00 22.24 H new ATOM 0 HA3 GLY A 38 4.135 -32.197 9.335 1.00 22.24 H new ATOM 579 N ILE A 39 6.436 -30.571 10.980 1.00 5.41 N ATOM 580 CA ILE A 39 7.610 -30.722 11.832 1.00 43.12 C ATOM 581 C ILE A 39 7.549 -29.775 13.026 1.00 65.21 C ATOM 582 O ILE A 39 7.448 -28.560 12.862 1.00 75.24 O ATOM 583 CB ILE A 39 8.911 -30.461 11.051 1.00 74.04 C ATOM 584 CG1 ILE A 39 9.026 -31.429 9.871 1.00 32.44 C ATOM 585 CG2 ILE A 39 10.116 -30.592 11.970 1.00 24.24 C ATOM 586 CD1 ILE A 39 8.708 -30.794 8.535 1.00 45.32 C ATOM 0 H ILE A 39 6.329 -29.643 10.570 1.00 5.41 H new ATOM 0 HA ILE A 39 7.610 -31.752 12.188 1.00 43.12 H new ATOM 0 HB ILE A 39 8.885 -29.444 10.661 1.00 74.04 H new ATOM 0 HG12 ILE A 39 10.038 -31.833 9.840 1.00 32.44 H new ATOM 0 HG13 ILE A 39 8.352 -32.270 10.034 1.00 32.44 H new ATOM 0 HG21 ILE A 39 11.028 -30.405 11.403 1.00 24.24 H new ATOM 0 HG22 ILE A 39 10.037 -29.867 12.780 1.00 24.24 H new ATOM 0 HG23 ILE A 39 10.148 -31.599 12.387 1.00 24.24 H new ATOM 0 HD11 ILE A 39 8.810 -31.538 7.745 1.00 45.32 H new ATOM 0 HD12 ILE A 39 7.686 -30.415 8.547 1.00 45.32 H new ATOM 0 HD13 ILE A 39 9.399 -29.971 8.350 1.00 45.32 H new ATOM 598 N ASP A 40 7.610 -30.342 14.227 1.00 61.20 N ATOM 599 CA ASP A 40 7.564 -29.549 15.449 1.00 24.44 C ATOM 600 C ASP A 40 8.189 -30.309 16.615 1.00 75.15 C ATOM 601 O ASP A 40 7.819 -31.449 16.893 1.00 21.14 O ATOM 602 CB ASP A 40 6.121 -29.171 15.785 1.00 21.12 C ATOM 603 CG ASP A 40 6.036 -28.021 16.768 1.00 61.13 C ATOM 604 OD1 ASP A 40 5.051 -27.966 17.534 1.00 32.42 O ATOM 605 OD2 ASP A 40 6.955 -27.175 16.773 1.00 33.42 O1- ATOM 0 H ASP A 40 7.691 -31.347 14.379 1.00 61.20 H new ATOM 0 HA ASP A 40 8.140 -28.638 15.282 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.597 -28.901 14.868 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.609 -30.039 16.201 1.00 21.12 H new ATOM 610 N GLY A 41 9.139 -29.671 17.291 1.00 21.24 N ATOM 611 CA GLY A 41 9.799 -30.303 18.417 1.00 13.12 C ATOM 612 C GLY A 41 10.637 -29.328 19.221 1.00 54.42 C ATOM 613 O GLY A 41 10.178 -28.238 19.558 1.00 31.04 O ATOM 0 H GLY A 41 9.463 -28.727 17.079 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.049 -30.754 19.067 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.435 -31.111 18.055 1.00 13.12 H new ATOM 617 N GLU A 42 11.869 -29.722 19.528 1.00 64.11 N ATOM 618 CA GLU A 42 12.771 -28.873 20.299 1.00 65.43 C ATOM 619 C GLU A 42 13.299 -27.724 19.447 1.00 12.22 C ATOM 620 O GLU A 42 14.189 -27.911 18.616 1.00 14.12 O ATOM 621 CB GLU A 42 13.940 -29.698 20.845 1.00 1.43 C ATOM 622 CG GLU A 42 14.777 -28.959 21.875 1.00 20.13 C ATOM 623 CD GLU A 42 13.933 -28.297 22.946 1.00 40.20 C ATOM 624 OE1 GLU A 42 13.581 -27.109 22.772 1.00 2.41 O ATOM 625 OE2 GLU A 42 13.623 -28.962 23.956 1.00 21.53 O1- ATOM 0 H GLU A 42 12.265 -30.622 19.255 1.00 64.11 H new ATOM 0 HA GLU A 42 12.210 -28.454 21.134 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.551 -30.612 21.294 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.581 -29.998 20.016 1.00 1.43 H new ATOM 0 HG2 GLU A 42 15.470 -29.658 22.344 1.00 20.13 H new ATOM 0 HG3 GLU A 42 15.379 -28.202 21.373 1.00 20.13 H new ATOM 632 N TRP A 43 12.744 -26.536 19.658 1.00 12.33 N ATOM 633 CA TRP A 43 13.158 -25.356 18.908 1.00 44.33 C ATOM 634 C TRP A 43 14.290 -24.626 19.624 1.00 24.52 C ATOM 635 O TRP A 43 14.118 -24.136 20.741 1.00 14.53 O ATOM 636 CB TRP A 43 11.973 -24.412 18.707 1.00 25.15 C ATOM 637 CG TRP A 43 11.135 -24.756 17.513 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.123 -25.672 17.458 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.238 -24.191 16.201 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.592 -25.709 16.192 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.258 -24.811 15.401 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.062 -23.221 15.626 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.082 -24.490 14.058 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.888 -22.905 14.291 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.904 -23.538 13.520 1.00 12.41 C ATOM 0 H TRP A 43 12.007 -26.364 20.342 1.00 12.33 H new ATOM 0 HA TRP A 43 13.521 -25.684 17.934 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.347 -24.431 19.599 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.344 -23.393 18.600 1.00 25.15 H new ATOM 0 HD1 TRP A 43 9.790 -26.278 18.288 1.00 73.03 H new ATOM 0 HE1 TRP A 43 8.825 -26.309 15.889 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.821 -22.727 16.213 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.323 -24.975 13.462 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.521 -22.158 13.835 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.792 -23.269 12.480 1.00 12.41 H new ATOM 656 N THR A 44 15.448 -24.553 18.974 1.00 34.53 N ATOM 657 CA THR A 44 16.607 -23.885 19.549 1.00 65.03 C ATOM 658 C THR A 44 16.973 -22.637 18.753 1.00 54.41 C ATOM 659 O THR A 44 16.549 -22.474 17.608 1.00 30.31 O ATOM 660 CB THR A 44 17.827 -24.821 19.604 1.00 61.21 C ATOM 661 OG1 THR A 44 17.397 -26.178 19.764 1.00 24.22 O ATOM 662 CG2 THR A 44 18.753 -24.439 20.750 1.00 35.31 C ATOM 0 H THR A 44 15.607 -24.949 18.048 1.00 34.53 H new ATOM 0 HA THR A 44 16.334 -23.598 20.565 1.00 65.03 H new ATOM 0 HB THR A 44 18.375 -24.721 18.667 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.040 -26.510 18.914 1.00 24.22 H new ATOM 0 HG21 THR A 44 19.608 -25.115 20.768 1.00 35.31 H new ATOM 0 HG22 THR A 44 19.102 -23.416 20.610 1.00 35.31 H new ATOM 0 HG23 THR A 44 18.213 -24.512 21.694 1.00 35.31 H new ATOM 670 N TYR A 45 17.763 -21.762 19.363 1.00 42.04 N ATOM 671 CA TYR A 45 18.185 -20.528 18.710 1.00 11.43 C ATOM 672 C TYR A 45 19.550 -20.079 19.223 1.00 51.14 C ATOM 673 O TYR A 45 19.819 -20.120 20.423 1.00 5.30 O ATOM 674 CB TYR A 45 17.152 -19.423 18.945 1.00 44.21 C ATOM 675 CG TYR A 45 17.006 -19.029 20.397 1.00 0.20 C ATOM 676 CD1 TYR A 45 16.042 -19.624 21.204 1.00 21.12 C ATOM 677 CD2 TYR A 45 17.829 -18.065 20.963 1.00 61.13 C ATOM 678 CE1 TYR A 45 15.904 -19.267 22.531 1.00 52.42 C ATOM 679 CE2 TYR A 45 17.698 -17.702 22.289 1.00 11.21 C ATOM 680 CZ TYR A 45 16.734 -18.306 23.070 1.00 74.21 C ATOM 681 OH TYR A 45 16.599 -17.947 24.391 1.00 75.43 O ATOM 0 H TYR A 45 18.125 -21.884 20.309 1.00 42.04 H new ATOM 0 HA TYR A 45 18.264 -20.722 17.640 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.434 -18.544 18.365 1.00 44.21 H new ATOM 0 HB3 TYR A 45 16.185 -19.756 18.569 1.00 44.21 H new ATOM 0 HD1 TYR A 45 15.391 -20.377 20.786 1.00 21.12 H new ATOM 0 HD2 TYR A 45 18.585 -17.590 20.355 1.00 61.13 H new ATOM 0 HE1 TYR A 45 15.150 -19.738 23.144 1.00 52.42 H new ATOM 0 HE2 TYR A 45 18.347 -16.949 22.712 1.00 11.21 H new ATOM 0 HH TYR A 45 17.261 -17.259 24.612 1.00 75.43 H new ATOM 691 N ASP A 46 20.409 -19.654 18.305 1.00 21.33 N ATOM 692 CA ASP A 46 21.746 -19.196 18.661 1.00 1.32 C ATOM 693 C ASP A 46 21.917 -17.713 18.343 1.00 61.15 C ATOM 694 O ASP A 46 21.510 -17.245 17.281 1.00 72.22 O ATOM 695 CB ASP A 46 22.804 -20.013 17.918 1.00 43.44 C ATOM 696 CG ASP A 46 24.165 -19.942 18.584 1.00 51.23 C ATOM 697 OD1 ASP A 46 24.399 -18.988 19.355 1.00 21.34 O ATOM 698 OD2 ASP A 46 24.995 -20.839 18.333 1.00 62.22 O1- ATOM 0 H ASP A 46 20.203 -19.617 17.307 1.00 21.33 H new ATOM 0 HA ASP A 46 21.876 -19.337 19.734 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.483 -21.053 17.864 1.00 43.44 H new ATOM 0 HB3 ASP A 46 22.885 -19.651 16.893 1.00 43.44 H new ATOM 703 N ASP A 47 22.521 -16.979 19.272 1.00 41.54 N ATOM 704 CA ASP A 47 22.745 -15.550 19.091 1.00 4.41 C ATOM 705 C ASP A 47 24.092 -15.293 18.424 1.00 62.25 C ATOM 706 O ASP A 47 24.284 -14.268 17.768 1.00 5.11 O ATOM 707 CB ASP A 47 22.682 -14.829 20.438 1.00 71.13 C ATOM 708 CG ASP A 47 22.359 -13.354 20.290 1.00 1.25 C ATOM 709 OD1 ASP A 47 21.489 -13.017 19.460 1.00 61.20 O ATOM 710 OD2 ASP A 47 22.978 -12.538 21.003 1.00 74.15 O1- ATOM 0 H ASP A 47 22.864 -17.351 20.158 1.00 41.54 H new ATOM 0 HA ASP A 47 21.959 -15.162 18.443 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.927 -15.302 21.065 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.637 -14.939 20.951 1.00 71.13 H new ATOM 715 N ALA A 48 25.021 -16.227 18.593 1.00 25.10 N ATOM 716 CA ALA A 48 26.349 -16.100 18.007 1.00 40.24 C ATOM 717 C ALA A 48 26.318 -16.393 16.511 1.00 31.42 C ATOM 718 O ALA A 48 26.760 -15.580 15.699 1.00 53.32 O ATOM 719 CB ALA A 48 27.327 -17.031 18.708 1.00 4.21 C ATOM 0 H ALA A 48 24.878 -17.081 19.132 1.00 25.10 H new ATOM 0 HA ALA A 48 26.682 -15.071 18.143 1.00 40.24 H new ATOM 0 HB1 ALA A 48 28.315 -16.925 18.260 1.00 4.21 H new ATOM 0 HB2 ALA A 48 27.379 -16.774 19.766 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.988 -18.062 18.601 1.00 4.21 H new ATOM 725 N THR A 49 25.793 -17.560 16.151 1.00 12.11 N ATOM 726 CA THR A 49 25.707 -17.960 14.752 1.00 74.11 C ATOM 727 C THR A 49 24.452 -17.394 14.096 1.00 70.20 C ATOM 728 O THR A 49 24.343 -17.359 12.869 1.00 32.42 O ATOM 729 CB THR A 49 25.702 -19.494 14.606 1.00 24.41 C ATOM 730 OG1 THR A 49 24.476 -20.030 15.116 1.00 1.21 O ATOM 731 CG2 THR A 49 26.878 -20.111 15.346 1.00 41.21 C ATOM 0 H THR A 49 25.421 -18.245 16.809 1.00 12.11 H new ATOM 0 HA THR A 49 26.588 -17.558 14.252 1.00 74.11 H new ATOM 0 HB THR A 49 25.792 -19.737 13.547 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.480 -21.005 15.018 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.854 -21.194 15.229 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.810 -19.722 14.936 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.814 -19.859 16.405 1.00 41.21 H new ATOM 739 N LYS A 50 23.507 -16.951 14.918 1.00 21.45 N ATOM 740 CA LYS A 50 22.261 -16.385 14.417 1.00 24.50 C ATOM 741 C LYS A 50 21.519 -17.389 13.541 1.00 44.50 C ATOM 742 O LYS A 50 21.000 -17.040 12.480 1.00 62.24 O ATOM 743 CB LYS A 50 22.540 -15.107 13.623 1.00 43.32 C ATOM 744 CG LYS A 50 22.778 -13.887 14.496 1.00 63.34 C ATOM 745 CD LYS A 50 21.549 -13.545 15.322 1.00 34.24 C ATOM 746 CE LYS A 50 21.592 -12.106 15.815 1.00 43.43 C ATOM 747 NZ LYS A 50 22.624 -11.913 16.872 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.581 -16.973 15.935 1.00 21.45 H new ATOM 0 HA LYS A 50 21.632 -16.143 15.273 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.413 -15.266 12.990 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.697 -14.910 12.960 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.623 -14.072 15.159 1.00 63.34 H new ATOM 0 HG3 LYS A 50 23.045 -13.036 13.869 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.652 -13.699 14.722 1.00 34.24 H new ATOM 0 HD3 LYS A 50 21.482 -14.221 16.174 1.00 34.24 H new ATOM 0 HE2 LYS A 50 21.801 -11.441 14.977 1.00 43.43 H new ATOM 0 HE3 LYS A 50 20.614 -11.827 16.207 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 23.083 -10.988 16.745 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 22.173 -11.950 17.808 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 23.338 -12.666 16.802 1.00 51.44 H new ATOM 761 N THR A 51 21.474 -18.640 13.990 1.00 11.32 N ATOM 762 CA THR A 51 20.797 -19.695 13.247 1.00 1.22 C ATOM 763 C THR A 51 19.861 -20.490 14.150 1.00 61.11 C ATOM 764 O THR A 51 20.157 -20.714 15.323 1.00 14.31 O ATOM 765 CB THR A 51 21.805 -20.660 12.595 1.00 32.44 C ATOM 766 OG1 THR A 51 22.644 -19.947 11.679 1.00 5.41 O ATOM 767 CG2 THR A 51 21.086 -21.781 11.862 1.00 11.53 C ATOM 0 H THR A 51 21.899 -18.947 14.865 1.00 11.32 H new ATOM 0 HA THR A 51 20.215 -19.207 12.465 1.00 1.22 H new ATOM 0 HB THR A 51 22.417 -21.097 13.384 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.124 -19.239 12.158 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.819 -22.449 11.410 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.471 -22.341 12.567 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.452 -21.358 11.083 1.00 11.53 H new ATOM 775 N PHE A 52 18.730 -20.915 13.594 1.00 30.20 N ATOM 776 CA PHE A 52 17.750 -21.686 14.351 1.00 4.54 C ATOM 777 C PHE A 52 17.797 -23.160 13.958 1.00 30.30 C ATOM 778 O PHE A 52 17.851 -23.498 12.775 1.00 21.14 O ATOM 779 CB PHE A 52 16.344 -21.129 14.121 1.00 12.04 C ATOM 780 CG PHE A 52 16.164 -19.727 14.629 1.00 74.44 C ATOM 781 CD1 PHE A 52 16.406 -18.641 13.806 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.751 -19.497 15.931 1.00 63.21 C ATOM 783 CE1 PHE A 52 16.240 -17.350 14.271 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.583 -18.209 16.402 1.00 0.41 C ATOM 785 CZ PHE A 52 15.830 -17.134 15.571 1.00 61.44 C ATOM 0 H PHE A 52 18.470 -20.739 12.624 1.00 30.20 H new ATOM 0 HA PHE A 52 17.997 -21.603 15.409 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.123 -21.151 13.054 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.619 -21.780 14.610 1.00 12.04 H new ATOM 0 HD1 PHE A 52 16.728 -18.804 12.788 1.00 35.05 H new ATOM 0 HD2 PHE A 52 15.558 -20.334 16.586 1.00 63.21 H new ATOM 0 HE1 PHE A 52 16.431 -16.511 13.618 1.00 30.21 H new ATOM 0 HE2 PHE A 52 15.259 -18.043 17.419 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.703 -16.126 15.938 1.00 61.44 H new ATOM 795 N THR A 53 17.776 -24.034 14.959 1.00 0.11 N ATOM 796 CA THR A 53 17.819 -25.471 14.720 1.00 21.01 C ATOM 797 C THR A 53 16.724 -26.190 15.501 1.00 13.54 C ATOM 798 O THR A 53 16.595 -26.017 16.712 1.00 65.33 O ATOM 799 CB THR A 53 19.185 -26.066 15.108 1.00 71.55 C ATOM 800 OG1 THR A 53 20.223 -25.458 14.331 1.00 33.14 O ATOM 801 CG2 THR A 53 19.199 -27.572 14.895 1.00 42.43 C ATOM 0 H THR A 53 17.729 -23.772 15.944 1.00 0.11 H new ATOM 0 HA THR A 53 17.658 -25.618 13.652 1.00 21.01 H new ATOM 0 HB THR A 53 19.358 -25.863 16.165 1.00 71.55 H new ATOM 0 HG1 THR A 53 21.089 -25.841 14.585 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.174 -27.970 15.176 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.427 -28.034 15.511 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.006 -27.793 13.845 1.00 42.43 H new ATOM 809 N VAL A 54 15.937 -26.999 14.798 1.00 41.10 N ATOM 810 CA VAL A 54 14.854 -27.747 15.425 1.00 72.00 C ATOM 811 C VAL A 54 15.157 -29.240 15.444 1.00 45.11 C ATOM 812 O VAL A 54 15.155 -29.900 14.403 1.00 12.34 O ATOM 813 CB VAL A 54 13.516 -27.514 14.698 1.00 0.11 C ATOM 814 CG1 VAL A 54 12.369 -28.144 15.474 1.00 3.22 C ATOM 815 CG2 VAL A 54 13.275 -26.026 14.490 1.00 74.40 C ATOM 0 H VAL A 54 16.030 -27.153 13.794 1.00 41.10 H new ATOM 0 HA VAL A 54 14.770 -27.384 16.449 1.00 72.00 H new ATOM 0 HB VAL A 54 13.567 -27.992 13.719 1.00 0.11 H new ATOM 0 HG11 VAL A 54 11.432 -27.969 14.945 1.00 3.22 H new ATOM 0 HG12 VAL A 54 12.538 -29.217 15.567 1.00 3.22 H new ATOM 0 HG13 VAL A 54 12.313 -27.698 16.467 1.00 3.22 H new ATOM 0 HG21 VAL A 54 12.326 -25.880 13.975 1.00 74.40 H new ATOM 0 HG22 VAL A 54 13.245 -25.524 15.457 1.00 74.40 H new ATOM 0 HG23 VAL A 54 14.082 -25.607 13.889 1.00 74.40 H new ATOM 825 N THR A 55 15.415 -29.772 16.635 1.00 72.33 N ATOM 826 CA THR A 55 15.719 -31.189 16.790 1.00 3.13 C ATOM 827 C THR A 55 14.451 -32.002 17.013 1.00 12.32 C ATOM 828 O THR A 55 13.873 -31.982 18.100 1.00 74.03 O ATOM 829 CB THR A 55 16.685 -31.430 17.965 1.00 4.31 C ATOM 830 OG1 THR A 55 17.749 -30.473 17.931 1.00 72.43 O ATOM 831 CG2 THR A 55 17.260 -32.837 17.912 1.00 14.14 C ATOM 0 H THR A 55 15.419 -29.242 17.507 1.00 72.33 H new ATOM 0 HA THR A 55 16.196 -31.514 15.865 1.00 3.13 H new ATOM 0 HB THR A 55 16.126 -31.317 18.894 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.357 -30.633 18.683 1.00 72.43 H new ATOM 0 HG21 THR A 55 17.939 -32.984 18.752 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.450 -33.564 17.969 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.804 -32.973 16.977 1.00 14.14 H new ATOM 839 N GLU A 56 14.023 -32.720 15.979 1.00 21.23 N ATOM 840 CA GLU A 56 12.821 -33.540 16.064 1.00 55.12 C ATOM 841 C GLU A 56 13.078 -34.797 16.891 1.00 33.02 C ATOM 842 O GLU A 56 14.224 -35.211 17.069 1.00 51.44 O ATOM 843 CB GLU A 56 12.339 -33.926 14.663 1.00 55.30 C ATOM 844 CG GLU A 56 11.307 -32.972 14.089 1.00 43.44 C ATOM 845 CD GLU A 56 10.295 -33.673 13.202 1.00 30.12 C ATOM 846 OE1 GLU A 56 10.709 -34.252 12.176 1.00 71.33 O ATOM 847 OE2 GLU A 56 9.091 -33.639 13.534 1.00 70.21 O1- ATOM 0 H GLU A 56 14.491 -32.750 15.073 1.00 21.23 H new ATOM 0 HA GLU A 56 12.046 -32.954 16.557 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.197 -33.967 13.992 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.914 -34.929 14.698 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.785 -32.473 14.905 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.814 -32.197 13.514 1.00 43.44 H new TER 854 GLU A 56