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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.0949 (180deg=-0.394) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0235 (180deg=-0.189) USER MOD Single : A 8 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.9!) 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+ -119:sc= -0.13 (180deg=-1.32) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0804 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 -109:sc= -0.749 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= -0.311 X(o=-0.31,f=-0.3) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.822 F(o=-0.027,f=0.82) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0372 F(o=-1.7,f=-0.037) USER MOD Single : A 44 THR OG1 : rot -17:sc= 1.14 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 60:sc= 0.0178 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 17.898 -8.007 7.788 1.00 2.03 N ATOM 2 CA MET A 1 18.814 -9.096 8.106 1.00 34.23 C ATOM 3 C MET A 1 18.273 -10.428 7.594 1.00 73.15 C ATOM 4 O MET A 1 17.073 -10.696 7.676 1.00 63.51 O ATOM 5 CB MET A 1 19.043 -9.173 9.617 1.00 42.53 C ATOM 6 CG MET A 1 19.435 -7.843 10.240 1.00 45.15 C ATOM 7 SD MET A 1 19.532 -7.922 12.039 1.00 3.33 S ATOM 8 CE MET A 1 21.306 -7.886 12.284 1.00 73.52 C ATOM 0 H1 MET A 1 18.385 -7.096 7.910 1.00 2.03 H new ATOM 0 H2 MET A 1 17.578 -8.099 6.803 1.00 2.03 H new ATOM 0 H3 MET A 1 17.076 -8.048 8.424 1.00 2.03 H new ATOM 0 HA MET A 1 19.764 -8.895 7.611 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.134 -9.536 10.096 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.824 -9.905 9.821 1.00 42.53 H new ATOM 0 HG2 MET A 1 20.400 -7.529 9.841 1.00 45.15 H new ATOM 0 HG3 MET A 1 18.709 -7.083 9.952 1.00 45.15 H new ATOM 0 HE1 MET A 1 21.527 -7.928 13.351 1.00 73.52 H new ATOM 0 HE2 MET A 1 21.760 -8.742 11.785 1.00 73.52 H new ATOM 0 HE3 MET A 1 21.712 -6.965 11.866 1.00 73.52 H new ATOM 18 N THR A 2 19.165 -11.259 7.064 1.00 32.33 N ATOM 19 CA THR A 2 18.776 -12.561 6.537 1.00 25.25 C ATOM 20 C THR A 2 18.997 -13.661 7.572 1.00 52.42 C ATOM 21 O THR A 2 20.075 -13.772 8.154 1.00 3.11 O ATOM 22 CB THR A 2 19.565 -12.909 5.261 1.00 23.24 C ATOM 23 OG1 THR A 2 19.573 -11.788 4.369 1.00 35.55 O ATOM 24 CG2 THR A 2 18.960 -14.116 4.562 1.00 50.33 C ATOM 0 H THR A 2 20.161 -11.054 6.988 1.00 32.33 H new ATOM 0 HA THR A 2 17.715 -12.500 6.295 1.00 25.25 H new ATOM 0 HB THR A 2 20.588 -13.152 5.548 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.078 -12.017 3.561 1.00 35.55 H new ATOM 0 HG21 THR A 2 19.535 -14.342 3.664 1.00 50.33 H new ATOM 0 HG22 THR A 2 18.983 -14.975 5.233 1.00 50.33 H new ATOM 0 HG23 THR A 2 17.928 -13.898 4.287 1.00 50.33 H new ATOM 32 N PHE A 3 17.967 -14.471 7.793 1.00 23.24 N ATOM 33 CA PHE A 3 18.048 -15.562 8.758 1.00 31.32 C ATOM 34 C PHE A 3 17.935 -16.914 8.061 1.00 32.01 C ATOM 35 O PHE A 3 17.393 -17.015 6.960 1.00 41.12 O ATOM 36 CB PHE A 3 16.945 -15.425 9.810 1.00 42.31 C ATOM 37 CG PHE A 3 17.368 -14.645 11.023 1.00 33.03 C ATOM 38 CD1 PHE A 3 17.039 -13.306 11.152 1.00 42.10 C ATOM 39 CD2 PHE A 3 18.094 -15.253 12.034 1.00 33.44 C ATOM 40 CE1 PHE A 3 17.426 -12.586 12.267 1.00 51.32 C ATOM 41 CE2 PHE A 3 18.482 -14.539 13.152 1.00 24.41 C ATOM 42 CZ PHE A 3 18.150 -13.204 13.268 1.00 72.31 C ATOM 0 H PHE A 3 17.068 -14.393 7.318 1.00 23.24 H new ATOM 0 HA PHE A 3 19.019 -15.506 9.250 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.081 -14.938 9.358 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.624 -16.419 10.121 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.473 -12.818 10.372 1.00 42.10 H new ATOM 0 HD2 PHE A 3 18.360 -16.296 11.948 1.00 33.44 H new ATOM 0 HE1 PHE A 3 17.163 -11.542 12.355 1.00 51.32 H new ATOM 0 HE2 PHE A 3 19.045 -15.025 13.935 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.456 -12.644 14.139 1.00 72.31 H new ATOM 52 N LYS A 4 18.450 -17.953 8.709 1.00 30.13 N ATOM 53 CA LYS A 4 18.407 -19.300 8.154 1.00 25.34 C ATOM 54 C LYS A 4 17.675 -20.253 9.094 1.00 70.05 C ATOM 55 O LYS A 4 17.700 -20.081 10.312 1.00 25.23 O ATOM 56 CB LYS A 4 19.825 -19.813 7.896 1.00 2.25 C ATOM 57 CG LYS A 4 19.939 -20.696 6.665 1.00 51.01 C ATOM 58 CD LYS A 4 21.209 -21.529 6.691 1.00 12.30 C ATOM 59 CE LYS A 4 22.389 -20.765 6.108 1.00 32.32 C ATOM 60 NZ LYS A 4 22.278 -20.618 4.629 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.903 -17.888 9.621 1.00 30.13 H new ATOM 0 HA LYS A 4 17.864 -19.259 7.210 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.496 -18.961 7.785 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.163 -20.374 8.767 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.072 -21.354 6.607 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.928 -20.075 5.769 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.434 -21.820 7.717 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.054 -22.448 6.126 1.00 12.30 H new ATOM 0 HE2 LYS A 4 22.446 -19.778 6.568 1.00 32.32 H new ATOM 0 HE3 LYS A 4 23.315 -21.285 6.353 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 23.205 -20.360 4.235 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 21.963 -21.518 4.213 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 21.588 -19.873 4.405 1.00 32.44 H new ATOM 74 N LEU A 5 17.023 -21.258 8.519 1.00 33.01 N ATOM 75 CA LEU A 5 16.284 -22.241 9.306 1.00 5.52 C ATOM 76 C LEU A 5 16.866 -23.637 9.118 1.00 63.41 C ATOM 77 O LEU A 5 17.229 -24.026 8.007 1.00 54.40 O ATOM 78 CB LEU A 5 14.807 -22.233 8.909 1.00 41.31 C ATOM 79 CG LEU A 5 13.908 -23.222 9.652 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.010 -23.013 11.154 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.466 -23.083 9.188 1.00 71.45 C ATOM 0 H LEU A 5 16.991 -21.414 7.512 1.00 33.01 H new ATOM 0 HA LEU A 5 16.373 -21.970 10.358 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.415 -21.228 9.065 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.737 -22.440 7.841 1.00 41.31 H new ATOM 0 HG LEU A 5 14.246 -24.233 9.424 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.363 -23.726 11.665 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.041 -23.165 11.473 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.699 -21.998 11.402 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.840 -23.794 9.727 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.116 -22.070 9.385 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.407 -23.285 8.119 1.00 71.45 H new ATOM 93 N ILE A 6 16.951 -24.389 10.211 1.00 4.33 N ATOM 94 CA ILE A 6 17.487 -25.744 10.165 1.00 33.32 C ATOM 95 C ILE A 6 16.514 -26.740 10.792 1.00 45.43 C ATOM 96 O ILE A 6 16.320 -26.750 12.008 1.00 53.14 O ATOM 97 CB ILE A 6 18.841 -25.840 10.892 1.00 13.12 C ATOM 98 CG1 ILE A 6 19.935 -25.158 10.068 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.198 -27.294 11.157 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.224 -25.852 8.756 1.00 64.22 C ATOM 0 H ILE A 6 16.656 -24.083 11.138 1.00 4.33 H new ATOM 0 HA ILE A 6 17.631 -25.991 9.113 1.00 33.32 H new ATOM 0 HB ILE A 6 18.760 -25.327 11.850 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.639 -24.128 9.868 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.851 -25.117 10.658 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.158 -27.345 11.671 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.428 -27.750 11.779 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.265 -27.831 10.211 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.009 -25.314 8.225 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.551 -26.874 8.949 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.320 -25.869 8.147 1.00 64.22 H new ATOM 112 N ILE A 7 15.910 -27.575 9.954 1.00 20.51 N ATOM 113 CA ILE A 7 14.962 -28.577 10.425 1.00 51.32 C ATOM 114 C ILE A 7 15.601 -29.959 10.472 1.00 24.33 C ATOM 115 O ILE A 7 15.554 -30.710 9.498 1.00 22.23 O ATOM 116 CB ILE A 7 13.710 -28.632 9.530 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.025 -27.264 9.487 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.747 -29.697 10.032 1.00 72.24 C ATOM 119 CD1 ILE A 7 11.908 -27.179 8.473 1.00 50.13 C ATOM 0 H ILE A 7 16.060 -27.578 8.945 1.00 20.51 H new ATOM 0 HA ILE A 7 14.666 -28.282 11.432 1.00 51.32 H new ATOM 0 HB ILE A 7 14.017 -28.895 8.518 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.626 -27.036 10.475 1.00 1.21 H new ATOM 0 HG13 ILE A 7 13.770 -26.501 9.260 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.867 -29.724 9.389 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.239 -30.670 10.015 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.444 -29.462 11.052 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.469 -26.182 8.498 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.305 -27.376 7.477 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.143 -27.918 8.711 1.00 50.13 H new ATOM 131 N ASN A 8 16.196 -30.291 11.613 1.00 64.41 N ATOM 132 CA ASN A 8 16.845 -31.586 11.789 1.00 62.14 C ATOM 133 C ASN A 8 15.811 -32.703 11.882 1.00 34.41 C ATOM 134 O ASN A 8 15.414 -33.107 12.975 1.00 1.43 O ATOM 135 CB ASN A 8 17.719 -31.576 13.044 1.00 1.04 C ATOM 136 CG ASN A 8 18.555 -32.834 13.178 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.303 -33.834 12.503 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.556 -32.791 14.049 1.00 14.42 N ATOM 0 H ASN A 8 16.242 -29.682 12.430 1.00 64.41 H new ATOM 0 HA ASN A 8 17.475 -31.771 10.919 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.377 -30.707 13.018 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.085 -31.469 13.924 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.153 -33.607 14.180 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.728 -31.941 14.587 1.00 14.42 H new ATOM 145 N GLY A 9 15.379 -33.202 10.728 1.00 25.24 N ATOM 146 CA GLY A 9 14.394 -34.268 10.702 1.00 42.23 C ATOM 147 C GLY A 9 15.032 -35.642 10.608 1.00 54.12 C ATOM 148 O GLY A 9 15.818 -35.909 9.701 1.00 64.31 O ATOM 0 H GLY A 9 15.694 -32.887 9.810 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.782 -34.215 11.602 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.726 -34.121 9.853 1.00 42.23 H new ATOM 152 N LYS A 10 14.690 -36.515 11.549 1.00 20.14 N ATOM 153 CA LYS A 10 15.233 -37.868 11.571 1.00 61.12 C ATOM 154 C LYS A 10 14.792 -38.650 10.338 1.00 44.41 C ATOM 155 O LYS A 10 15.470 -39.585 9.908 1.00 51.54 O ATOM 156 CB LYS A 10 14.785 -38.600 12.838 1.00 74.11 C ATOM 157 CG LYS A 10 13.275 -38.701 12.981 1.00 52.15 C ATOM 158 CD LYS A 10 12.813 -40.148 13.003 1.00 52.11 C ATOM 159 CE LYS A 10 11.332 -40.265 12.677 1.00 33.45 C ATOM 160 NZ LYS A 10 10.711 -41.446 13.339 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.039 -36.310 12.307 1.00 20.14 H new ATOM 0 HA LYS A 10 16.321 -37.796 11.566 1.00 61.12 H new ATOM 0 HB2 LYS A 10 15.209 -39.604 12.837 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.190 -38.084 13.708 1.00 74.11 H new ATOM 0 HG2 LYS A 10 12.961 -38.204 13.899 1.00 52.15 H new ATOM 0 HG3 LYS A 10 12.794 -38.177 12.155 1.00 52.15 H new ATOM 0 HD2 LYS A 10 13.392 -40.727 12.283 1.00 52.11 H new ATOM 0 HD3 LYS A 10 13.005 -40.578 13.986 1.00 52.11 H new ATOM 0 HE2 LYS A 10 10.817 -39.358 12.994 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.203 -40.344 11.598 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 9.702 -41.491 13.092 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 11.185 -42.314 13.017 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 10.812 -41.359 14.370 1.00 33.12 H new ATOM 174 N THR A 11 13.656 -38.260 9.769 1.00 15.21 N ATOM 175 CA THR A 11 13.125 -38.925 8.585 1.00 62.22 C ATOM 176 C THR A 11 13.245 -38.032 7.356 1.00 61.24 C ATOM 177 O THR A 11 13.445 -38.518 6.241 1.00 32.30 O ATOM 178 CB THR A 11 11.649 -39.320 8.777 1.00 70.54 C ATOM 179 OG1 THR A 11 11.181 -40.031 7.625 1.00 73.10 O ATOM 180 CG2 THR A 11 10.784 -38.090 9.007 1.00 44.40 C ATOM 0 H THR A 11 13.085 -37.486 10.109 1.00 15.21 H new ATOM 0 HA THR A 11 13.717 -39.828 8.435 1.00 62.22 H new ATOM 0 HB THR A 11 11.578 -39.962 9.655 1.00 70.54 H new ATOM 0 HG1 THR A 11 10.242 -40.281 7.754 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.746 -38.395 9.140 1.00 44.40 H new ATOM 0 HG22 THR A 11 11.126 -37.567 9.900 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.860 -37.426 8.146 1.00 44.40 H new ATOM 188 N LEU A 12 13.124 -36.727 7.563 1.00 23.00 N ATOM 189 CA LEU A 12 13.220 -35.765 6.470 1.00 43.11 C ATOM 190 C LEU A 12 13.677 -34.403 6.980 1.00 4.35 C ATOM 191 O LEU A 12 12.959 -33.733 7.724 1.00 72.22 O ATOM 192 CB LEU A 12 11.870 -35.631 5.763 1.00 64.33 C ATOM 193 CG LEU A 12 11.919 -35.178 4.303 1.00 11.33 C ATOM 194 CD1 LEU A 12 12.732 -36.155 3.467 1.00 33.21 C ATOM 195 CD2 LEU A 12 10.512 -35.034 3.741 1.00 70.53 C ATOM 0 H LEU A 12 12.959 -36.309 8.479 1.00 23.00 H new ATOM 0 HA LEU A 12 13.961 -36.133 5.760 1.00 43.11 H new ATOM 0 HB2 LEU A 12 11.362 -36.595 5.807 1.00 64.33 H new ATOM 0 HB3 LEU A 12 11.258 -34.923 6.322 1.00 64.33 H new ATOM 0 HG LEU A 12 12.406 -34.204 4.262 1.00 11.33 H new ATOM 0 HD11 LEU A 12 12.755 -35.816 2.431 1.00 33.21 H new ATOM 0 HD12 LEU A 12 13.749 -36.207 3.855 1.00 33.21 H new ATOM 0 HD13 LEU A 12 12.275 -37.143 3.515 1.00 33.21 H new ATOM 0 HD21 LEU A 12 10.567 -34.711 2.701 1.00 70.53 H new ATOM 0 HD22 LEU A 12 9.998 -35.994 3.796 1.00 70.53 H new ATOM 0 HD23 LEU A 12 9.962 -34.294 4.322 1.00 70.53 H new ATOM 207 N LYS A 13 14.876 -33.997 6.577 1.00 21.15 N ATOM 208 CA LYS A 13 15.430 -32.713 6.990 1.00 13.53 C ATOM 209 C LYS A 13 14.861 -31.577 6.144 1.00 62.51 C ATOM 210 O LYS A 13 14.360 -31.803 5.043 1.00 23.21 O ATOM 211 CB LYS A 13 16.956 -32.732 6.879 1.00 14.43 C ATOM 212 CG LYS A 13 17.662 -32.783 8.223 1.00 1.44 C ATOM 213 CD LYS A 13 19.158 -32.992 8.059 1.00 42.34 C ATOM 214 CE LYS A 13 19.498 -34.462 7.874 1.00 71.21 C ATOM 215 NZ LYS A 13 19.538 -34.846 6.437 1.00 31.45 N1+ ATOM 0 H LYS A 13 15.484 -34.540 5.964 1.00 21.15 H new ATOM 0 HA LYS A 13 15.151 -32.543 8.030 1.00 13.53 H new ATOM 0 HB2 LYS A 13 17.258 -33.595 6.286 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.284 -31.844 6.339 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.481 -31.855 8.766 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.244 -33.591 8.824 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.514 -32.424 7.199 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.679 -32.604 8.935 1.00 42.34 H new ATOM 0 HE2 LYS A 13 20.464 -34.672 8.333 1.00 71.21 H new ATOM 0 HE3 LYS A 13 18.760 -35.073 8.393 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 18.823 -35.578 6.253 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 19.338 -34.012 5.849 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 20.481 -35.217 6.203 1.00 31.45 H new ATOM 229 N GLY A 14 14.946 -30.357 6.664 1.00 64.41 N ATOM 230 CA GLY A 14 14.439 -29.206 5.940 1.00 2.42 C ATOM 231 C GLY A 14 15.189 -27.933 6.277 1.00 5.42 C ATOM 232 O GLY A 14 16.046 -27.926 7.161 1.00 43.14 O ATOM 0 H GLY A 14 15.357 -30.145 7.573 1.00 64.41 H new ATOM 0 HA2 GLY A 14 14.511 -29.394 4.869 1.00 2.42 H new ATOM 0 HA3 GLY A 14 13.382 -29.073 6.170 1.00 2.42 H new ATOM 236 N GLU A 15 14.869 -26.853 5.570 1.00 34.54 N ATOM 237 CA GLU A 15 15.522 -25.569 5.797 1.00 71.41 C ATOM 238 C GLU A 15 14.914 -24.486 4.913 1.00 64.34 C ATOM 239 O GLU A 15 14.310 -24.776 3.880 1.00 1.11 O ATOM 240 CB GLU A 15 17.024 -25.681 5.528 1.00 73.45 C ATOM 241 CG GLU A 15 17.356 -26.219 4.145 1.00 42.33 C ATOM 242 CD GLU A 15 18.849 -26.298 3.893 1.00 65.22 C ATOM 243 OE1 GLU A 15 19.327 -27.384 3.501 1.00 13.12 O ATOM 244 OE2 GLU A 15 19.540 -25.277 4.088 1.00 51.34 O1- ATOM 0 H GLU A 15 14.161 -26.842 4.835 1.00 34.54 H new ATOM 0 HA GLU A 15 15.367 -25.291 6.839 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.480 -24.698 5.645 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.472 -26.332 6.279 1.00 73.45 H new ATOM 0 HG2 GLU A 15 16.919 -27.211 4.031 1.00 42.33 H new ATOM 0 HG3 GLU A 15 16.897 -25.580 3.391 1.00 42.33 H new ATOM 251 N THR A 16 15.079 -23.232 5.324 1.00 30.23 N ATOM 252 CA THR A 16 14.545 -22.104 4.572 1.00 24.41 C ATOM 253 C THR A 16 15.048 -20.780 5.135 1.00 65.30 C ATOM 254 O THR A 16 15.552 -20.721 6.258 1.00 35.35 O ATOM 255 CB THR A 16 13.005 -22.100 4.580 1.00 23.35 C ATOM 256 OG1 THR A 16 12.512 -21.109 3.672 1.00 41.12 O ATOM 257 CG2 THR A 16 12.473 -21.825 5.978 1.00 10.41 C ATOM 0 H THR A 16 15.579 -22.973 6.174 1.00 30.23 H new ATOM 0 HA THR A 16 14.895 -22.216 3.546 1.00 24.41 H new ATOM 0 HB THR A 16 12.659 -23.084 4.264 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.532 -21.115 3.682 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.383 -21.827 5.959 1.00 10.41 H new ATOM 0 HG22 THR A 16 12.826 -22.599 6.660 1.00 10.41 H new ATOM 0 HG23 THR A 16 12.828 -20.852 6.318 1.00 10.41 H new ATOM 265 N THR A 17 14.910 -19.717 4.349 1.00 54.32 N ATOM 266 CA THR A 17 15.351 -18.393 4.770 1.00 12.31 C ATOM 267 C THR A 17 14.239 -17.363 4.601 1.00 23.20 C ATOM 268 O THR A 17 13.307 -17.563 3.822 1.00 35.13 O ATOM 269 CB THR A 17 16.586 -17.932 3.972 1.00 33.43 C ATOM 270 OG1 THR A 17 16.275 -17.879 2.575 1.00 1.33 O ATOM 271 CG2 THR A 17 17.759 -18.873 4.200 1.00 2.04 C ATOM 0 H THR A 17 14.496 -19.747 3.417 1.00 54.32 H new ATOM 0 HA THR A 17 15.616 -18.469 5.825 1.00 12.31 H new ATOM 0 HB THR A 17 16.865 -16.937 4.319 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.064 -17.584 2.075 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.619 -18.528 3.627 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.012 -18.889 5.260 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.487 -19.878 3.877 1.00 2.04 H new ATOM 279 N THR A 18 14.343 -16.261 5.337 1.00 1.12 N ATOM 280 CA THR A 18 13.346 -15.201 5.270 1.00 0.52 C ATOM 281 C THR A 18 13.899 -13.890 5.819 1.00 45.23 C ATOM 282 O THR A 18 14.547 -13.869 6.863 1.00 15.53 O ATOM 283 CB THR A 18 12.073 -15.575 6.054 1.00 64.43 C ATOM 284 OG1 THR A 18 11.151 -14.479 6.042 1.00 33.34 O ATOM 285 CG2 THR A 18 12.412 -15.945 7.490 1.00 40.51 C ATOM 0 H THR A 18 15.108 -16.080 5.987 1.00 1.12 H new ATOM 0 HA THR A 18 13.092 -15.074 4.218 1.00 0.52 H new ATOM 0 HB THR A 18 11.615 -16.439 5.572 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.344 -14.725 6.541 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.498 -16.205 8.024 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.091 -16.798 7.495 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.890 -15.097 7.981 1.00 40.51 H new ATOM 293 N GLU A 19 13.639 -12.799 5.104 1.00 35.24 N ATOM 294 CA GLU A 19 14.112 -11.484 5.521 1.00 14.34 C ATOM 295 C GLU A 19 13.259 -10.934 6.661 1.00 73.40 C ATOM 296 O GLU A 19 12.034 -10.873 6.560 1.00 13.11 O ATOM 297 CB GLU A 19 14.092 -10.511 4.340 1.00 73.50 C ATOM 298 CG GLU A 19 15.229 -10.726 3.356 1.00 40.15 C ATOM 299 CD GLU A 19 15.141 -12.062 2.643 1.00 11.31 C ATOM 300 OE1 GLU A 19 14.307 -12.187 1.723 1.00 30.40 O ATOM 301 OE2 GLU A 19 15.906 -12.979 3.005 1.00 34.34 O1- ATOM 0 H GLU A 19 13.105 -12.800 4.235 1.00 35.24 H new ATOM 0 HA GLU A 19 15.137 -11.592 5.876 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.143 -10.611 3.813 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.139 -9.490 4.720 1.00 73.50 H new ATOM 0 HG2 GLU A 19 15.222 -9.924 2.618 1.00 40.15 H new ATOM 0 HG3 GLU A 19 16.179 -10.663 3.886 1.00 40.15 H new ATOM 308 N ALA A 20 13.916 -10.536 7.746 1.00 74.44 N ATOM 309 CA ALA A 20 13.218 -9.991 8.904 1.00 23.12 C ATOM 310 C ALA A 20 14.036 -8.888 9.567 1.00 54.32 C ATOM 311 O ALA A 20 15.168 -8.616 9.169 1.00 42.41 O ATOM 312 CB ALA A 20 12.911 -11.096 9.903 1.00 33.00 C ATOM 0 H ALA A 20 14.930 -10.581 7.847 1.00 74.44 H new ATOM 0 HA ALA A 20 12.279 -9.556 8.561 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.390 -10.675 10.763 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.281 -11.849 9.430 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.842 -11.557 10.233 1.00 33.00 H new ATOM 318 N VAL A 21 13.453 -8.255 10.580 1.00 3.03 N ATOM 319 CA VAL A 21 14.129 -7.180 11.300 1.00 53.14 C ATOM 320 C VAL A 21 14.824 -7.709 12.549 1.00 3.01 C ATOM 321 O VAL A 21 15.881 -7.212 12.939 1.00 4.54 O ATOM 322 CB VAL A 21 13.142 -6.070 11.706 1.00 33.31 C ATOM 323 CG1 VAL A 21 12.521 -5.430 10.473 1.00 23.31 C ATOM 324 CG2 VAL A 21 12.065 -6.626 12.628 1.00 5.33 C ATOM 0 H VAL A 21 12.515 -8.467 10.921 1.00 3.03 H new ATOM 0 HA VAL A 21 14.874 -6.763 10.622 1.00 53.14 H new ATOM 0 HB VAL A 21 13.691 -5.300 12.248 1.00 33.31 H new ATOM 0 HG11 VAL A 21 11.826 -4.648 10.780 1.00 23.31 H new ATOM 0 HG12 VAL A 21 13.306 -4.996 9.854 1.00 23.31 H new ATOM 0 HG13 VAL A 21 11.985 -6.187 9.901 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.376 -5.828 12.905 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.518 -7.416 12.113 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.529 -7.033 13.526 1.00 5.33 H new ATOM 334 N ASP A 22 14.226 -8.717 13.171 1.00 31.34 N ATOM 335 CA ASP A 22 14.789 -9.315 14.376 1.00 34.11 C ATOM 336 C ASP A 22 14.687 -10.836 14.328 1.00 64.45 C ATOM 337 O ASP A 22 14.083 -11.398 13.415 1.00 24.43 O ATOM 338 CB ASP A 22 14.071 -8.783 15.618 1.00 2.35 C ATOM 339 CG ASP A 22 14.964 -8.777 16.844 1.00 12.32 C ATOM 340 OD1 ASP A 22 16.143 -8.388 16.717 1.00 25.10 O ATOM 341 OD2 ASP A 22 14.482 -9.159 17.930 1.00 2.01 O1- ATOM 0 H ASP A 22 13.350 -9.138 12.861 1.00 31.34 H new ATOM 0 HA ASP A 22 15.843 -9.041 14.429 1.00 34.11 H new ATOM 0 HB2 ASP A 22 13.718 -7.770 15.424 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.191 -9.395 15.816 1.00 2.35 H new ATOM 346 N ALA A 23 15.283 -11.497 15.315 1.00 45.21 N ATOM 347 CA ALA A 23 15.259 -12.953 15.385 1.00 14.32 C ATOM 348 C ALA A 23 13.839 -13.468 15.584 1.00 51.22 C ATOM 349 O ALA A 23 13.494 -14.560 15.129 1.00 61.02 O ATOM 350 CB ALA A 23 16.163 -13.442 16.506 1.00 11.53 C ATOM 0 H ALA A 23 15.789 -11.047 16.078 1.00 45.21 H new ATOM 0 HA ALA A 23 15.630 -13.345 14.438 1.00 14.32 H new ATOM 0 HB1 ALA A 23 16.135 -14.531 16.547 1.00 11.53 H new ATOM 0 HB2 ALA A 23 17.185 -13.112 16.320 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.817 -13.034 17.456 1.00 11.53 H new ATOM 356 N ALA A 24 13.016 -12.678 16.267 1.00 24.41 N ATOM 357 CA ALA A 24 11.634 -13.055 16.526 1.00 54.51 C ATOM 358 C ALA A 24 10.762 -12.825 15.294 1.00 3.13 C ATOM 359 O ALA A 24 9.849 -13.601 15.011 1.00 23.22 O ATOM 360 CB ALA A 24 11.087 -12.278 17.714 1.00 61.03 C ATOM 0 H ALA A 24 13.284 -11.772 16.651 1.00 24.41 H new ATOM 0 HA ALA A 24 11.612 -14.119 16.762 1.00 54.51 H new ATOM 0 HB1 ALA A 24 10.053 -12.571 17.895 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.686 -12.496 18.598 1.00 61.03 H new ATOM 0 HB3 ALA A 24 11.130 -11.210 17.501 1.00 61.03 H new ATOM 366 N THR A 25 11.050 -11.751 14.564 1.00 1.15 N ATOM 367 CA THR A 25 10.293 -11.417 13.365 1.00 53.23 C ATOM 368 C THR A 25 10.333 -12.557 12.354 1.00 30.45 C ATOM 369 O THR A 25 9.298 -12.977 11.837 1.00 63.44 O ATOM 370 CB THR A 25 10.830 -10.137 12.699 1.00 71.03 C ATOM 371 OG1 THR A 25 10.919 -9.082 13.665 1.00 61.13 O ATOM 372 CG2 THR A 25 9.931 -9.705 11.551 1.00 61.04 C ATOM 0 H THR A 25 11.802 -11.098 14.783 1.00 1.15 H new ATOM 0 HA THR A 25 9.263 -11.249 13.679 1.00 53.23 H new ATOM 0 HB THR A 25 11.822 -10.350 12.301 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.228 -8.411 13.482 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.331 -8.799 11.097 1.00 61.04 H new ATOM 0 HG22 THR A 25 9.889 -10.497 10.804 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.928 -9.509 11.929 1.00 61.04 H new ATOM 380 N ALA A 26 11.534 -13.054 12.077 1.00 14.02 N ATOM 381 CA ALA A 26 11.708 -14.148 11.130 1.00 64.04 C ATOM 382 C ALA A 26 11.155 -15.453 11.691 1.00 75.33 C ATOM 383 O ALA A 26 10.544 -16.239 10.968 1.00 62.32 O ATOM 384 CB ALA A 26 13.177 -14.307 10.770 1.00 21.44 C ATOM 0 H ALA A 26 12.401 -12.716 12.495 1.00 14.02 H new ATOM 0 HA ALA A 26 11.149 -13.905 10.227 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.291 -15.128 10.062 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.543 -13.385 10.319 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.751 -14.523 11.671 1.00 21.44 H new ATOM 390 N GLU A 27 11.373 -15.678 12.983 1.00 43.32 N ATOM 391 CA GLU A 27 10.897 -16.889 13.639 1.00 43.14 C ATOM 392 C GLU A 27 9.409 -17.100 13.380 1.00 11.53 C ATOM 393 O GLU A 27 8.948 -18.229 13.219 1.00 74.20 O ATOM 394 CB GLU A 27 11.161 -16.817 15.144 1.00 72.21 C ATOM 395 CG GLU A 27 10.941 -18.137 15.864 1.00 34.42 C ATOM 396 CD GLU A 27 11.005 -17.996 17.373 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.025 -16.848 17.860 1.00 1.45 O ATOM 398 OE2 GLU A 27 11.035 -19.035 18.065 1.00 75.42 O1- ATOM 0 H GLU A 27 11.877 -15.037 13.596 1.00 43.32 H new ATOM 0 HA GLU A 27 11.442 -17.736 13.222 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.187 -16.489 15.309 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.510 -16.061 15.583 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.970 -18.543 15.582 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.694 -18.855 15.538 1.00 34.42 H new ATOM 405 N LYS A 28 8.661 -16.002 13.343 1.00 10.53 N ATOM 406 CA LYS A 28 7.224 -16.063 13.104 1.00 11.42 C ATOM 407 C LYS A 28 6.922 -16.756 11.779 1.00 42.33 C ATOM 408 O LYS A 28 5.901 -17.430 11.638 1.00 43.53 O ATOM 409 CB LYS A 28 6.626 -14.654 13.101 1.00 1.23 C ATOM 410 CG LYS A 28 5.118 -14.633 13.289 1.00 4.35 C ATOM 411 CD LYS A 28 4.620 -13.240 13.633 1.00 51.12 C ATOM 412 CE LYS A 28 3.238 -13.284 14.266 1.00 54.21 C ATOM 413 NZ LYS A 28 2.164 -13.432 13.246 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.027 -15.059 13.476 1.00 10.53 H new ATOM 0 HA LYS A 28 6.772 -16.642 13.909 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.091 -14.069 13.895 1.00 1.23 H new ATOM 0 HB3 LYS A 28 6.873 -14.165 12.159 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.632 -14.980 12.377 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.839 -15.327 14.082 1.00 4.35 H new ATOM 0 HD2 LYS A 28 5.320 -12.761 14.317 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.589 -12.630 12.730 1.00 51.12 H new ATOM 0 HE2 LYS A 28 3.187 -14.115 14.969 1.00 54.21 H new ATOM 0 HE3 LYS A 28 3.072 -12.371 14.838 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.238 -13.458 13.718 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 2.195 -12.626 12.589 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.307 -14.316 12.717 1.00 52.40 H new ATOM 427 N VAL A 29 7.817 -16.588 10.811 1.00 55.33 N ATOM 428 CA VAL A 29 7.648 -17.200 9.499 1.00 74.14 C ATOM 429 C VAL A 29 8.237 -18.605 9.467 1.00 45.15 C ATOM 430 O VAL A 29 7.662 -19.519 8.874 1.00 41.12 O ATOM 431 CB VAL A 29 8.307 -16.353 8.394 1.00 72.33 C ATOM 432 CG1 VAL A 29 8.129 -17.012 7.036 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.734 -14.943 8.390 1.00 32.35 C ATOM 0 H VAL A 29 8.667 -16.033 10.911 1.00 55.33 H new ATOM 0 HA VAL A 29 6.575 -17.255 9.312 1.00 74.14 H new ATOM 0 HB VAL A 29 9.375 -16.287 8.601 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.601 -16.398 6.269 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.592 -17.999 7.047 1.00 62.33 H new ATOM 0 HG13 VAL A 29 7.066 -17.112 6.817 1.00 62.33 H new ATOM 0 HG21 VAL A 29 8.211 -14.359 7.603 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.660 -14.987 8.209 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.920 -14.472 9.355 1.00 32.35 H new ATOM 443 N LEU A 30 9.388 -18.771 10.107 1.00 22.41 N ATOM 444 CA LEU A 30 10.059 -20.066 10.154 1.00 71.11 C ATOM 445 C LEU A 30 9.198 -21.099 10.875 1.00 21.34 C ATOM 446 O LEU A 30 8.941 -22.184 10.351 1.00 3.24 O ATOM 447 CB LEU A 30 11.413 -19.938 10.853 1.00 44.45 C ATOM 448 CG LEU A 30 12.388 -18.926 10.248 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.729 -18.985 10.961 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.560 -19.178 8.757 1.00 70.44 C ATOM 0 H LEU A 30 9.877 -18.025 10.601 1.00 22.41 H new ATOM 0 HA LEU A 30 10.217 -20.402 9.129 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.238 -19.666 11.894 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.892 -20.917 10.856 1.00 44.45 H new ATOM 0 HG LEU A 30 11.975 -17.926 10.381 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.409 -18.258 10.517 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.590 -18.754 12.017 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.151 -19.985 10.861 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.257 -18.449 8.343 1.00 70.44 H new ATOM 0 HD22 LEU A 30 12.951 -20.183 8.601 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.596 -19.082 8.258 1.00 70.44 H new ATOM 462 N LYS A 31 8.753 -20.754 12.078 1.00 35.54 N ATOM 463 CA LYS A 31 7.917 -21.649 12.871 1.00 4.33 C ATOM 464 C LYS A 31 6.715 -22.128 12.065 1.00 65.22 C ATOM 465 O LYS A 31 6.209 -23.229 12.282 1.00 4.33 O ATOM 466 CB LYS A 31 7.443 -20.942 14.143 1.00 23.41 C ATOM 467 CG LYS A 31 6.383 -19.883 13.891 1.00 4.34 C ATOM 468 CD LYS A 31 5.915 -19.244 15.188 1.00 42.12 C ATOM 469 CE LYS A 31 7.059 -18.550 15.912 1.00 21.52 C ATOM 470 NZ LYS A 31 6.572 -17.715 17.044 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.957 -19.861 12.526 1.00 35.54 H new ATOM 0 HA LYS A 31 8.516 -22.517 13.146 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.046 -21.685 14.835 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.300 -20.478 14.631 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.784 -19.115 13.230 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.533 -20.333 13.378 1.00 4.34 H new ATOM 0 HD2 LYS A 31 5.126 -18.522 14.975 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.483 -20.007 15.835 1.00 42.12 H new ATOM 0 HE2 LYS A 31 7.759 -19.297 16.286 1.00 21.52 H new ATOM 0 HE3 LYS A 31 7.608 -17.924 15.208 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 7.381 -17.259 17.512 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 5.924 -16.986 16.684 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 6.070 -18.316 17.728 1.00 51.51 H new ATOM 484 N GLN A 32 6.265 -21.296 11.131 1.00 0.41 N ATOM 485 CA GLN A 32 5.123 -21.637 10.291 1.00 31.03 C ATOM 486 C GLN A 32 5.540 -22.563 9.153 1.00 72.23 C ATOM 487 O GLN A 32 4.803 -23.474 8.779 1.00 71.20 O ATOM 488 CB GLN A 32 4.483 -20.368 9.723 1.00 14.11 C ATOM 489 CG GLN A 32 3.105 -20.596 9.125 1.00 32.21 C ATOM 490 CD GLN A 32 2.183 -21.359 10.056 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.557 -20.778 10.942 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.095 -22.671 9.859 1.00 2.52 N ATOM 0 H GLN A 32 6.674 -20.382 10.937 1.00 0.41 H new ATOM 0 HA GLN A 32 4.393 -22.158 10.910 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.407 -19.624 10.516 1.00 14.11 H new ATOM 0 HB3 GLN A 32 5.138 -19.953 8.957 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.655 -19.633 8.883 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.206 -21.146 8.189 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.632 -23.112 9.112 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.490 -23.237 10.455 1.00 2.52 H new ATOM 501 N TYR A 33 6.726 -22.322 8.607 1.00 71.01 N ATOM 502 CA TYR A 33 7.241 -23.133 7.508 1.00 11.44 C ATOM 503 C TYR A 33 7.314 -24.603 7.906 1.00 52.42 C ATOM 504 O TYR A 33 6.829 -25.476 7.187 1.00 14.22 O ATOM 505 CB TYR A 33 8.625 -22.636 7.087 1.00 65.32 C ATOM 506 CG TYR A 33 9.123 -23.254 5.799 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.024 -22.571 4.594 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.692 -24.522 5.789 1.00 51.13 C ATOM 509 CE1 TYR A 33 9.477 -23.132 3.415 1.00 41.43 C ATOM 510 CE2 TYR A 33 10.149 -25.090 4.616 1.00 13.20 C ATOM 511 CZ TYR A 33 10.038 -24.390 3.432 1.00 71.22 C ATOM 512 OH TYR A 33 10.491 -24.954 2.260 1.00 45.24 O ATOM 0 H TYR A 33 7.350 -21.572 8.906 1.00 71.01 H new ATOM 0 HA TYR A 33 6.557 -23.038 6.665 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.594 -21.553 6.972 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.337 -22.852 7.883 1.00 65.32 H new ATOM 0 HD1 TYR A 33 8.585 -21.584 4.578 1.00 13.33 H new ATOM 0 HD2 TYR A 33 9.778 -25.072 6.714 1.00 51.13 H new ATOM 0 HE1 TYR A 33 9.392 -22.588 2.486 1.00 41.43 H new ATOM 0 HE2 TYR A 33 10.590 -26.076 4.625 1.00 13.20 H new ATOM 0 HH TYR A 33 10.859 -25.843 2.446 1.00 45.24 H new ATOM 522 N ALA A 34 7.924 -24.870 9.056 1.00 65.10 N ATOM 523 CA ALA A 34 8.060 -26.234 9.550 1.00 15.14 C ATOM 524 C ALA A 34 6.698 -26.835 9.881 1.00 13.42 C ATOM 525 O ALA A 34 6.361 -27.923 9.417 1.00 52.15 O ATOM 526 CB ALA A 34 8.964 -26.263 10.775 1.00 34.13 C ATOM 0 H ALA A 34 8.332 -24.159 9.663 1.00 65.10 H new ATOM 0 HA ALA A 34 8.513 -26.837 8.763 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.057 -27.288 11.134 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.949 -25.881 10.509 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.533 -25.641 11.560 1.00 34.13 H new ATOM 532 N ASN A 35 5.919 -26.121 10.687 1.00 4.40 N ATOM 533 CA ASN A 35 4.594 -26.584 11.080 1.00 31.34 C ATOM 534 C ASN A 35 3.767 -26.967 9.857 1.00 43.03 C ATOM 535 O ASN A 35 3.190 -28.053 9.800 1.00 20.12 O ATOM 536 CB ASN A 35 3.869 -25.503 11.882 1.00 3.41 C ATOM 537 CG ASN A 35 4.095 -25.640 13.375 1.00 1.54 C ATOM 538 OD1 ASN A 35 4.425 -24.532 14.029 1.00 2.23 O flip ATOM 539 ND2 ASN A 35 3.973 -26.730 13.935 1.00 14.42 N flip ATOM 0 H ASN A 35 6.183 -25.218 11.081 1.00 4.40 H new ATOM 0 HA ASN A 35 4.717 -27.468 11.705 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.211 -24.521 11.554 1.00 3.41 H new ATOM 0 HB3 ASN A 35 2.800 -25.555 11.673 1.00 3.41 H new ATOM 0 HD21 ASN A 35 3.718 -27.556 13.393 1.00 14.42 H new ATOM 0 HD22 ASN A 35 4.127 -26.807 14.940 1.00 14.42 H new ATOM 546 N ASP A 36 3.714 -26.068 8.881 1.00 53.14 N ATOM 547 CA ASP A 36 2.959 -26.312 7.657 1.00 3.55 C ATOM 548 C ASP A 36 3.426 -27.595 6.977 1.00 42.33 C ATOM 549 O ASP A 36 2.652 -28.264 6.293 1.00 4.33 O ATOM 550 CB ASP A 36 3.105 -25.129 6.698 1.00 33.04 C ATOM 551 CG ASP A 36 2.270 -25.294 5.445 1.00 53.01 C ATOM 552 OD1 ASP A 36 1.086 -24.890 5.461 1.00 24.45 O ATOM 553 OD2 ASP A 36 2.797 -25.826 4.446 1.00 4.10 O1- ATOM 0 H ASP A 36 4.185 -25.164 8.913 1.00 53.14 H new ATOM 0 HA ASP A 36 1.908 -26.426 7.924 1.00 3.55 H new ATOM 0 HB2 ASP A 36 2.811 -24.212 7.209 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.153 -25.017 6.421 1.00 33.04 H new ATOM 558 N ASN A 37 4.698 -27.930 7.169 1.00 42.23 N ATOM 559 CA ASN A 37 5.269 -29.133 6.571 1.00 52.53 C ATOM 560 C ASN A 37 5.022 -30.350 7.457 1.00 42.51 C ATOM 561 O ASN A 37 5.144 -31.490 7.011 1.00 31.02 O ATOM 562 CB ASN A 37 6.771 -28.949 6.342 1.00 15.40 C ATOM 563 CG ASN A 37 7.071 -28.122 5.107 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.364 -27.010 4.953 1.00 60.52 O flip ATOM 565 ND2 ASN A 37 7.929 -28.480 4.300 1.00 73.23 N flip ATOM 0 H ASN A 37 5.352 -27.387 7.733 1.00 42.23 H new ATOM 0 HA ASN A 37 4.780 -29.300 5.611 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.212 -28.467 7.214 1.00 15.40 H new ATOM 0 HB3 ASN A 37 7.243 -29.927 6.245 1.00 15.40 H new ATOM 0 HD21 ASN A 37 8.449 -29.343 4.458 1.00 73.23 H new ATOM 0 HD22 ASN A 37 8.120 -27.914 3.473 1.00 73.23 H new ATOM 572 N GLY A 38 4.676 -30.099 8.716 1.00 51.42 N ATOM 573 CA GLY A 38 4.417 -31.183 9.645 1.00 22.24 C ATOM 574 C GLY A 38 5.602 -31.467 10.548 1.00 34.14 C ATOM 575 O GLY A 38 5.759 -32.583 11.044 1.00 33.12 O ATOM 0 H GLY A 38 4.570 -29.164 9.109 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.549 -30.934 10.256 1.00 22.24 H new ATOM 0 HA3 GLY A 38 4.165 -32.084 9.086 1.00 22.24 H new ATOM 579 N ILE A 39 6.438 -30.457 10.760 1.00 5.41 N ATOM 580 CA ILE A 39 7.614 -30.604 11.609 1.00 43.12 C ATOM 581 C ILE A 39 7.547 -29.666 12.809 1.00 65.21 C ATOM 582 O ILE A 39 7.450 -28.448 12.653 1.00 75.24 O ATOM 583 CB ILE A 39 8.912 -30.327 10.827 1.00 74.04 C ATOM 584 CG1 ILE A 39 9.042 -31.298 9.652 1.00 32.44 C ATOM 585 CG2 ILE A 39 10.118 -30.434 11.746 1.00 24.24 C ATOM 586 CD1 ILE A 39 8.332 -30.834 8.401 1.00 45.32 C ATOM 0 H ILE A 39 6.323 -29.528 10.356 1.00 5.41 H new ATOM 0 HA ILE A 39 7.623 -31.637 11.958 1.00 43.12 H new ATOM 0 HB ILE A 39 8.871 -29.312 10.432 1.00 74.04 H new ATOM 0 HG12 ILE A 39 10.099 -31.443 9.427 1.00 32.44 H new ATOM 0 HG13 ILE A 39 8.643 -32.268 9.948 1.00 32.44 H new ATOM 0 HG21 ILE A 39 11.027 -30.236 11.178 1.00 24.24 H new ATOM 0 HG22 ILE A 39 10.027 -29.706 12.552 1.00 24.24 H new ATOM 0 HG23 ILE A 39 10.166 -31.438 12.168 1.00 24.24 H new ATOM 0 HD11 ILE A 39 8.468 -31.572 7.611 1.00 45.32 H new ATOM 0 HD12 ILE A 39 7.268 -30.716 8.609 1.00 45.32 H new ATOM 0 HD13 ILE A 39 8.747 -29.879 8.080 1.00 45.32 H new ATOM 598 N ASP A 40 7.601 -30.240 14.005 1.00 61.20 N ATOM 599 CA ASP A 40 7.549 -29.454 15.233 1.00 24.44 C ATOM 600 C ASP A 40 8.163 -30.225 16.398 1.00 75.15 C ATOM 601 O ASP A 40 7.790 -31.368 16.664 1.00 21.14 O ATOM 602 CB ASP A 40 6.104 -29.076 15.561 1.00 21.12 C ATOM 603 CG ASP A 40 6.016 -27.937 16.559 1.00 61.13 C ATOM 604 OD1 ASP A 40 5.364 -26.920 16.242 1.00 32.42 O ATOM 605 OD2 ASP A 40 6.600 -28.063 17.656 1.00 33.42 O1- ATOM 0 H ASP A 40 7.681 -31.246 14.151 1.00 61.20 H new ATOM 0 HA ASP A 40 8.128 -28.544 15.077 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.588 -28.792 14.644 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.585 -29.947 15.961 1.00 21.12 H new ATOM 610 N GLY A 41 9.108 -29.593 17.087 1.00 21.24 N ATOM 611 CA GLY A 41 9.760 -30.237 18.213 1.00 13.12 C ATOM 612 C GLY A 41 10.575 -29.265 19.044 1.00 54.42 C ATOM 613 O GLY A 41 10.114 -28.167 19.354 1.00 31.04 O ATOM 0 H GLY A 41 9.434 -28.648 16.886 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.007 -30.708 18.845 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.410 -31.031 17.847 1.00 13.12 H new ATOM 617 N GLU A 42 11.788 -29.669 19.404 1.00 64.11 N ATOM 618 CA GLU A 42 12.668 -28.826 20.205 1.00 65.43 C ATOM 619 C GLU A 42 13.238 -27.685 19.368 1.00 12.22 C ATOM 620 O GLU A 42 14.106 -27.896 18.521 1.00 14.12 O ATOM 621 CB GLU A 42 13.808 -29.657 20.797 1.00 1.43 C ATOM 622 CG GLU A 42 14.592 -28.932 21.877 1.00 20.13 C ATOM 623 CD GLU A 42 15.685 -29.793 22.483 1.00 40.20 C ATOM 624 OE1 GLU A 42 16.637 -29.225 23.056 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.586 -31.032 22.382 1.00 21.53 O1- ATOM 0 H GLU A 42 12.184 -30.575 19.154 1.00 64.11 H new ATOM 0 HA GLU A 42 12.079 -28.400 21.017 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.398 -30.577 21.213 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.490 -29.946 19.997 1.00 1.43 H new ATOM 0 HG2 GLU A 42 15.037 -28.031 21.455 1.00 20.13 H new ATOM 0 HG3 GLU A 42 13.909 -28.612 22.664 1.00 20.13 H new ATOM 632 N TRP A 43 12.743 -26.476 19.612 1.00 12.33 N ATOM 633 CA TRP A 43 13.203 -25.301 18.881 1.00 44.33 C ATOM 634 C TRP A 43 14.348 -24.614 19.617 1.00 24.52 C ATOM 635 O TRP A 43 14.245 -24.314 20.806 1.00 14.53 O ATOM 636 CB TRP A 43 12.049 -24.318 18.678 1.00 25.15 C ATOM 637 CG TRP A 43 11.189 -24.646 17.496 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.160 -25.544 17.456 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.283 -24.082 16.184 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.609 -25.572 16.198 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.280 -24.684 15.399 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.116 -23.126 15.597 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.091 -24.360 14.058 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.928 -22.807 14.265 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.921 -23.422 13.508 1.00 12.41 C ATOM 0 H TRP A 43 12.024 -26.284 20.310 1.00 12.33 H new ATOM 0 HA TRP A 43 13.568 -25.630 17.908 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.431 -24.305 19.575 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.454 -23.314 18.556 1.00 25.15 H new ATOM 0 HD1 TRP A 43 9.829 -26.144 18.291 1.00 73.03 H new ATOM 0 HE1 TRP A 43 8.827 -26.159 15.906 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.893 -22.645 16.173 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.316 -24.833 13.473 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.568 -22.072 13.800 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.798 -23.150 12.470 1.00 12.41 H new ATOM 656 N THR A 44 15.444 -24.369 18.902 1.00 34.53 N ATOM 657 CA THR A 44 16.608 -23.720 19.490 1.00 65.03 C ATOM 658 C THR A 44 17.088 -22.563 18.621 1.00 54.41 C ATOM 659 O THR A 44 17.140 -22.673 17.396 1.00 30.31 O ATOM 660 CB THR A 44 17.768 -24.715 19.684 1.00 61.21 C ATOM 661 OG1 THR A 44 18.158 -25.265 18.419 1.00 24.22 O ATOM 662 CG2 THR A 44 17.366 -25.838 20.626 1.00 35.31 C ATOM 0 H THR A 44 15.548 -24.611 17.916 1.00 34.53 H new ATOM 0 HA THR A 44 16.299 -23.338 20.463 1.00 65.03 H new ATOM 0 HB THR A 44 18.609 -24.177 20.122 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.452 -25.102 17.760 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.201 -26.528 20.747 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.097 -25.420 21.596 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.511 -26.373 20.211 1.00 35.31 H new ATOM 670 N TYR A 45 17.437 -21.453 19.263 1.00 42.04 N ATOM 671 CA TYR A 45 17.911 -20.275 18.547 1.00 11.43 C ATOM 672 C TYR A 45 19.313 -19.887 19.006 1.00 51.14 C ATOM 673 O TYR A 45 19.627 -19.944 20.194 1.00 5.30 O ATOM 674 CB TYR A 45 16.949 -19.103 18.761 1.00 44.21 C ATOM 675 CG TYR A 45 17.037 -18.492 20.141 1.00 0.20 C ATOM 676 CD1 TYR A 45 16.402 -19.084 21.226 1.00 21.12 C ATOM 677 CD2 TYR A 45 17.754 -17.321 20.361 1.00 61.13 C ATOM 678 CE1 TYR A 45 16.479 -18.529 22.489 1.00 52.42 C ATOM 679 CE2 TYR A 45 17.837 -16.761 21.620 1.00 11.21 C ATOM 680 CZ TYR A 45 17.199 -17.367 22.681 1.00 74.21 C ATOM 681 OH TYR A 45 17.277 -16.810 23.937 1.00 75.43 O ATOM 0 H TYR A 45 17.400 -21.345 20.277 1.00 42.04 H new ATOM 0 HA TYR A 45 17.950 -20.516 17.485 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.157 -18.333 18.018 1.00 44.21 H new ATOM 0 HB3 TYR A 45 15.929 -19.445 18.589 1.00 44.21 H new ATOM 0 HD1 TYR A 45 15.839 -19.994 21.080 1.00 21.12 H new ATOM 0 HD2 TYR A 45 18.254 -16.841 19.533 1.00 61.13 H new ATOM 0 HE1 TYR A 45 15.979 -19.002 23.321 1.00 52.42 H new ATOM 0 HE2 TYR A 45 18.399 -15.852 21.773 1.00 11.21 H new ATOM 0 HH TYR A 45 17.822 -15.996 23.901 1.00 75.43 H new ATOM 691 N ASP A 46 20.151 -19.491 18.053 1.00 21.33 N ATOM 692 CA ASP A 46 21.520 -19.091 18.358 1.00 1.32 C ATOM 693 C ASP A 46 21.722 -17.601 18.098 1.00 61.15 C ATOM 694 O ASP A 46 21.363 -17.092 17.036 1.00 72.22 O ATOM 695 CB ASP A 46 22.509 -19.906 17.523 1.00 43.44 C ATOM 696 CG ASP A 46 23.047 -21.109 18.272 1.00 51.23 C ATOM 697 OD1 ASP A 46 24.074 -21.670 17.835 1.00 21.34 O ATOM 698 OD2 ASP A 46 22.439 -21.490 19.295 1.00 62.22 O1- ATOM 0 H ASP A 46 19.906 -19.439 17.064 1.00 21.33 H new ATOM 0 HA ASP A 46 21.702 -19.284 19.415 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.019 -20.241 16.609 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.340 -19.267 17.223 1.00 43.44 H new ATOM 703 N ASP A 47 22.296 -16.909 19.075 1.00 41.54 N ATOM 704 CA ASP A 47 22.544 -15.477 18.952 1.00 4.41 C ATOM 705 C ASP A 47 23.920 -15.214 18.348 1.00 62.25 C ATOM 706 O ASP A 47 24.153 -14.170 17.740 1.00 5.11 O ATOM 707 CB ASP A 47 22.437 -14.799 20.319 1.00 71.13 C ATOM 708 CG ASP A 47 22.216 -13.304 20.208 1.00 1.25 C ATOM 709 OD1 ASP A 47 21.697 -12.855 19.166 1.00 61.20 O ATOM 710 OD2 ASP A 47 22.563 -12.581 21.166 1.00 74.15 O1- ATOM 0 H ASP A 47 22.598 -17.315 19.960 1.00 41.54 H new ATOM 0 HA ASP A 47 21.788 -15.059 18.287 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.614 -15.244 20.879 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.348 -14.987 20.887 1.00 71.13 H new ATOM 715 N ALA A 48 24.829 -16.169 18.521 1.00 25.10 N ATOM 716 CA ALA A 48 26.182 -16.042 17.993 1.00 40.24 C ATOM 717 C ALA A 48 26.233 -16.428 16.518 1.00 31.42 C ATOM 718 O ALA A 48 26.935 -15.800 15.724 1.00 53.32 O ATOM 719 CB ALA A 48 27.146 -16.898 18.798 1.00 4.21 C ATOM 0 H ALA A 48 24.652 -17.039 19.023 1.00 25.10 H new ATOM 0 HA ALA A 48 26.483 -14.998 18.080 1.00 40.24 H new ATOM 0 HB1 ALA A 48 28.152 -16.793 18.392 1.00 4.21 H new ATOM 0 HB2 ALA A 48 27.139 -16.573 19.839 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.839 -17.942 18.742 1.00 4.21 H new ATOM 725 N THR A 49 25.486 -17.466 16.156 1.00 12.11 N ATOM 726 CA THR A 49 25.449 -17.938 14.777 1.00 74.11 C ATOM 727 C THR A 49 24.243 -17.371 14.036 1.00 70.20 C ATOM 728 O THR A 49 24.194 -17.387 12.806 1.00 32.42 O ATOM 729 CB THR A 49 25.400 -19.475 14.711 1.00 24.41 C ATOM 730 OG1 THR A 49 24.104 -19.943 15.101 1.00 1.21 O ATOM 731 CG2 THR A 49 26.459 -20.090 15.615 1.00 41.21 C ATOM 0 H THR A 49 24.898 -17.996 16.799 1.00 12.11 H new ATOM 0 HA THR A 49 26.364 -17.590 14.298 1.00 74.11 H new ATOM 0 HB THR A 49 25.601 -19.778 13.683 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.082 -20.922 15.054 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.405 -21.177 15.552 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.447 -19.757 15.297 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.285 -19.778 16.645 1.00 41.21 H new ATOM 739 N LYS A 50 23.272 -16.868 14.790 1.00 21.45 N ATOM 740 CA LYS A 50 22.066 -16.294 14.205 1.00 24.50 C ATOM 741 C LYS A 50 21.341 -17.319 13.337 1.00 44.50 C ATOM 742 O LYS A 50 20.878 -17.002 12.242 1.00 62.24 O ATOM 743 CB LYS A 50 22.417 -15.061 13.372 1.00 43.32 C ATOM 744 CG LYS A 50 22.635 -13.807 14.202 1.00 63.34 C ATOM 745 CD LYS A 50 21.325 -13.261 14.743 1.00 34.24 C ATOM 746 CE LYS A 50 21.560 -12.180 15.787 1.00 43.43 C ATOM 747 NZ LYS A 50 21.933 -10.880 15.163 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.297 -16.846 15.809 1.00 21.45 H new ATOM 0 HA LYS A 50 21.402 -15.999 15.018 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.319 -15.267 12.796 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.617 -14.877 12.655 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.307 -14.031 15.031 1.00 63.34 H new ATOM 0 HG3 LYS A 50 23.123 -13.047 13.592 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.733 -12.854 13.923 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.745 -14.073 15.182 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.658 -12.050 16.385 1.00 43.43 H new ATOM 0 HE3 LYS A 50 22.351 -12.497 16.467 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 22.085 -10.169 15.907 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 22.807 -10.997 14.612 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 21.167 -10.565 14.534 1.00 51.44 H new ATOM 761 N THR A 51 21.247 -18.548 13.834 1.00 11.32 N ATOM 762 CA THR A 51 20.579 -19.618 13.104 1.00 1.22 C ATOM 763 C THR A 51 19.664 -20.422 14.021 1.00 61.11 C ATOM 764 O THR A 51 19.976 -20.635 15.193 1.00 14.31 O ATOM 765 CB THR A 51 21.596 -20.570 12.448 1.00 32.44 C ATOM 766 OG1 THR A 51 22.413 -19.851 11.519 1.00 5.41 O ATOM 767 CG2 THR A 51 20.887 -21.709 11.731 1.00 11.53 C ATOM 0 H THR A 51 21.625 -18.827 14.739 1.00 11.32 H new ATOM 0 HA THR A 51 19.982 -19.144 12.325 1.00 1.22 H new ATOM 0 HB THR A 51 22.224 -20.991 13.233 1.00 32.44 H new ATOM 0 HG1 THR A 51 22.899 -19.143 11.991 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.626 -22.368 11.276 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.289 -22.273 12.447 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.237 -21.303 10.956 1.00 11.53 H new ATOM 775 N PHE A 52 18.535 -20.866 13.482 1.00 30.20 N ATOM 776 CA PHE A 52 17.574 -21.648 14.252 1.00 4.54 C ATOM 777 C PHE A 52 17.640 -23.122 13.868 1.00 30.30 C ATOM 778 O PHE A 52 17.712 -23.467 12.687 1.00 21.14 O ATOM 779 CB PHE A 52 16.157 -21.114 14.032 1.00 12.04 C ATOM 780 CG PHE A 52 15.944 -19.733 14.586 1.00 74.44 C ATOM 781 CD1 PHE A 52 16.417 -18.621 13.908 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.272 -19.550 15.784 1.00 63.21 C ATOM 783 CE1 PHE A 52 16.221 -17.349 14.415 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.074 -18.281 16.294 1.00 0.41 C ATOM 785 CZ PHE A 52 15.550 -17.179 15.611 1.00 61.44 C ATOM 0 H PHE A 52 18.262 -20.698 12.514 1.00 30.20 H new ATOM 0 HA PHE A 52 17.830 -21.555 15.307 1.00 4.54 H new ATOM 0 HB2 PHE A 52 15.942 -21.105 12.963 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.444 -21.796 14.495 1.00 12.04 H new ATOM 0 HD1 PHE A 52 16.944 -18.749 12.974 1.00 35.05 H new ATOM 0 HD2 PHE A 52 14.899 -20.408 16.324 1.00 63.21 H new ATOM 0 HE1 PHE A 52 16.592 -16.489 13.877 1.00 30.21 H new ATOM 0 HE2 PHE A 52 14.547 -18.151 17.227 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.398 -16.187 16.011 1.00 61.44 H new ATOM 795 N THR A 53 17.613 -23.992 14.873 1.00 0.11 N ATOM 796 CA THR A 53 17.671 -25.430 14.642 1.00 21.01 C ATOM 797 C THR A 53 16.568 -26.155 15.404 1.00 13.54 C ATOM 798 O THR A 53 16.387 -25.944 16.604 1.00 65.33 O ATOM 799 CB THR A 53 19.035 -26.011 15.060 1.00 71.55 C ATOM 800 OG1 THR A 53 20.084 -25.386 14.312 1.00 33.14 O ATOM 801 CG2 THR A 53 19.073 -27.516 14.836 1.00 42.43 C ATOM 0 H THR A 53 17.551 -23.725 15.856 1.00 0.11 H new ATOM 0 HA THR A 53 17.531 -25.584 13.572 1.00 21.01 H new ATOM 0 HB THR A 53 19.179 -25.813 16.122 1.00 71.55 H new ATOM 0 HG1 THR A 53 20.948 -25.760 14.585 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.046 -27.904 15.138 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.292 -27.992 15.429 1.00 42.43 H new ATOM 0 HG23 THR A 53 18.909 -27.731 13.780 1.00 42.43 H new ATOM 809 N VAL A 54 15.831 -27.008 14.701 1.00 41.10 N ATOM 810 CA VAL A 54 14.745 -27.765 15.312 1.00 72.00 C ATOM 811 C VAL A 54 15.059 -29.256 15.334 1.00 45.11 C ATOM 812 O VAL A 54 15.077 -29.915 14.293 1.00 12.34 O ATOM 813 CB VAL A 54 13.416 -27.543 14.566 1.00 0.11 C ATOM 814 CG1 VAL A 54 12.264 -28.185 15.324 1.00 3.22 C ATOM 815 CG2 VAL A 54 13.165 -26.057 14.357 1.00 74.40 C ATOM 0 H VAL A 54 15.966 -27.192 13.707 1.00 41.10 H new ATOM 0 HA VAL A 54 14.644 -27.402 16.335 1.00 72.00 H new ATOM 0 HB VAL A 54 13.485 -28.018 13.587 1.00 0.11 H new ATOM 0 HG11 VAL A 54 11.333 -28.018 14.782 1.00 3.22 H new ATOM 0 HG12 VAL A 54 12.442 -29.256 15.417 1.00 3.22 H new ATOM 0 HG13 VAL A 54 12.190 -27.742 16.317 1.00 3.22 H new ATOM 0 HG21 VAL A 54 12.222 -25.918 13.828 1.00 74.40 H new ATOM 0 HG22 VAL A 54 13.116 -25.557 15.324 1.00 74.40 H new ATOM 0 HG23 VAL A 54 13.977 -25.630 13.768 1.00 74.40 H new ATOM 825 N THR A 55 15.308 -29.786 16.528 1.00 72.33 N ATOM 826 CA THR A 55 15.623 -31.200 16.686 1.00 3.13 C ATOM 827 C THR A 55 14.356 -32.029 16.865 1.00 12.32 C ATOM 828 O THR A 55 13.752 -32.033 17.938 1.00 74.03 O ATOM 829 CB THR A 55 16.551 -31.437 17.892 1.00 4.31 C ATOM 830 OG1 THR A 55 17.601 -30.462 17.902 1.00 72.43 O ATOM 831 CG2 THR A 55 17.152 -32.835 17.846 1.00 14.14 C ATOM 0 H THR A 55 15.297 -29.256 17.400 1.00 72.33 H new ATOM 0 HA THR A 55 16.134 -31.513 15.776 1.00 3.13 H new ATOM 0 HB THR A 55 15.959 -31.342 18.802 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.186 -30.619 18.673 1.00 72.43 H new ATOM 0 HG21 THR A 55 17.804 -32.979 18.708 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.353 -33.576 17.868 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.731 -32.952 16.930 1.00 14.14 H new ATOM 839 N GLU A 56 13.959 -32.730 15.808 1.00 21.23 N ATOM 840 CA GLU A 56 12.763 -33.563 15.850 1.00 55.12 C ATOM 841 C GLU A 56 13.085 -34.951 16.395 1.00 33.02 C ATOM 842 O GLU A 56 13.500 -35.840 15.653 1.00 51.44 O ATOM 843 CB GLU A 56 12.148 -33.682 14.453 1.00 55.30 C ATOM 844 CG GLU A 56 11.072 -32.647 14.173 1.00 43.44 C ATOM 845 CD GLU A 56 9.690 -33.111 14.590 1.00 30.12 C ATOM 846 OE1 GLU A 56 9.534 -33.535 15.754 1.00 71.33 O ATOM 847 OE2 GLU A 56 8.766 -33.050 13.753 1.00 70.21 O1- ATOM 0 H GLU A 56 14.448 -32.738 14.913 1.00 21.23 H new ATOM 0 HA GLU A 56 12.044 -33.088 16.517 1.00 55.12 H new ATOM 0 HB2 GLU A 56 12.937 -33.584 13.708 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.721 -34.678 14.336 1.00 55.30 H new ATOM 0 HG2 GLU A 56 11.315 -31.724 14.700 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.066 -32.414 13.108 1.00 43.44 H new