USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, 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 9 MET CE :methyl 152:sc= -0.226 (180deg=-0.943) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.548) USER MOD Single : A 16 ASN : amide:sc= -0.262 K(o=-0.26,f=-0.81) USER MOD Single : A 18 LYS NZ :NH3+ 126:sc= -0.173 (180deg=-0.702) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00662 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -120:sc= -0.061 USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.188 (180deg=-1.51!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00303 X(o=-0.003,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.477 USER MOD Single : A 53 TYR OH : rot 30:sc= 0.901 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 1.18 (180deg=0.589) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -8.836 -19.770 1.473 1.00 25.22 N ATOM 2 CA MET A 9 -9.775 -20.237 2.488 1.00 55.22 C ATOM 3 C MET A 9 -10.288 -19.073 3.329 1.00 2.22 C ATOM 4 O MET A 9 -9.566 -18.110 3.582 1.00 44.42 O ATOM 5 CB MET A 9 -9.109 -21.278 3.389 1.00 70.33 C ATOM 6 CG MET A 9 -10.097 -22.095 4.206 1.00 65.01 C ATOM 7 SD MET A 9 -10.762 -23.499 3.291 1.00 62.51 S ATOM 8 CE MET A 9 -9.289 -24.498 3.086 1.00 44.12 C ATOM 0 HA MET A 9 -10.623 -20.697 1.980 1.00 55.22 H new ATOM 0 HB2 MET A 9 -8.514 -21.952 2.773 1.00 70.33 H new ATOM 0 HB3 MET A 9 -8.420 -20.773 4.066 1.00 70.33 H new ATOM 0 HG2 MET A 9 -9.605 -22.455 5.109 1.00 65.01 H new ATOM 0 HG3 MET A 9 -10.918 -21.452 4.525 1.00 65.01 H new ATOM 0 HE1 MET A 9 -9.569 -25.549 3.011 1.00 44.12 H new ATOM 0 HE2 MET A 9 -8.768 -24.196 2.178 1.00 44.12 H new ATOM 0 HE3 MET A 9 -8.632 -24.358 3.945 1.00 44.12 H new ATOM 18 N THR A 10 -11.543 -19.169 3.760 1.00 45.20 N ATOM 19 CA THR A 10 -12.154 -18.124 4.571 1.00 61.31 C ATOM 20 C THR A 10 -11.981 -18.410 6.058 1.00 34.02 C ATOM 21 O THR A 10 -12.170 -19.539 6.509 1.00 71.22 O ATOM 22 CB THR A 10 -13.656 -17.976 4.259 1.00 42.22 C ATOM 23 OG1 THR A 10 -13.845 -17.753 2.857 1.00 75.33 O ATOM 24 CG2 THR A 10 -14.261 -16.825 5.048 1.00 3.24 C ATOM 0 H THR A 10 -12.155 -19.960 3.560 1.00 45.20 H new ATOM 0 HA THR A 10 -11.645 -17.193 4.322 1.00 61.31 H new ATOM 0 HB THR A 10 -14.159 -18.898 4.550 1.00 42.22 H new ATOM 0 HG1 THR A 10 -14.802 -17.662 2.666 1.00 75.33 H new ATOM 0 HG21 THR A 10 -15.322 -16.740 4.812 1.00 3.24 H new ATOM 0 HG22 THR A 10 -14.141 -17.013 6.115 1.00 3.24 H new ATOM 0 HG23 THR A 10 -13.755 -15.897 4.784 1.00 3.24 H new ATOM 32 N PHE A 11 -11.621 -17.380 6.816 1.00 45.22 N ATOM 33 CA PHE A 11 -11.422 -17.521 8.254 1.00 71.20 C ATOM 34 C PHE A 11 -12.242 -16.488 9.020 1.00 71.13 C ATOM 35 O PHE A 11 -12.822 -15.576 8.431 1.00 43.45 O ATOM 36 CB PHE A 11 -9.939 -17.373 8.602 1.00 21.33 C ATOM 37 CG PHE A 11 -9.191 -18.675 8.604 1.00 74.31 C ATOM 38 CD1 PHE A 11 -9.456 -19.640 9.561 1.00 70.32 C ATOM 39 CD2 PHE A 11 -8.221 -18.933 7.649 1.00 43.32 C ATOM 40 CE1 PHE A 11 -8.769 -20.841 9.566 1.00 3.44 C ATOM 41 CE2 PHE A 11 -7.531 -20.131 7.649 1.00 63.33 C ATOM 42 CZ PHE A 11 -7.804 -21.085 8.609 1.00 4.11 C ATOM 0 H PHE A 11 -11.461 -16.438 6.459 1.00 45.22 H new ATOM 0 HA PHE A 11 -11.759 -18.515 8.547 1.00 71.20 H new ATOM 0 HB2 PHE A 11 -9.472 -16.696 7.887 1.00 21.33 H new ATOM 0 HB3 PHE A 11 -9.849 -16.910 9.585 1.00 21.33 H new ATOM 0 HD1 PHE A 11 -10.208 -19.453 10.313 1.00 70.32 H new ATOM 0 HD2 PHE A 11 -8.001 -18.190 6.896 1.00 43.32 H new ATOM 0 HE1 PHE A 11 -8.987 -21.586 10.317 1.00 3.44 H new ATOM 0 HE2 PHE A 11 -6.778 -20.321 6.898 1.00 63.33 H new ATOM 0 HZ PHE A 11 -7.264 -22.020 8.611 1.00 4.11 H new ATOM 52 N LYS A 12 -12.287 -16.639 10.340 1.00 2.21 N ATOM 53 CA LYS A 12 -13.035 -15.721 11.191 1.00 21.43 C ATOM 54 C LYS A 12 -12.253 -15.394 12.458 1.00 33.24 C ATOM 55 O LYS A 12 -11.963 -16.277 13.267 1.00 44.41 O ATOM 56 CB LYS A 12 -14.393 -16.323 11.558 1.00 14.14 C ATOM 57 CG LYS A 12 -15.468 -15.284 11.819 1.00 54.40 C ATOM 58 CD LYS A 12 -16.850 -15.810 11.470 1.00 33.22 C ATOM 59 CE LYS A 12 -17.313 -16.863 12.466 1.00 11.53 C ATOM 60 NZ LYS A 12 -17.749 -16.255 13.754 1.00 71.25 N1+ ATOM 0 H LYS A 12 -11.814 -17.389 10.844 1.00 2.21 H new ATOM 0 HA LYS A 12 -13.193 -14.797 10.634 1.00 21.43 H new ATOM 0 HB2 LYS A 12 -14.721 -16.978 10.751 1.00 14.14 H new ATOM 0 HB3 LYS A 12 -14.277 -16.945 12.446 1.00 14.14 H new ATOM 0 HG2 LYS A 12 -15.444 -14.990 12.868 1.00 54.40 H new ATOM 0 HG3 LYS A 12 -15.260 -14.389 11.233 1.00 54.40 H new ATOM 0 HD2 LYS A 12 -17.562 -14.984 11.454 1.00 33.22 H new ATOM 0 HD3 LYS A 12 -16.835 -16.237 10.467 1.00 33.22 H new ATOM 0 HE2 LYS A 12 -18.137 -17.432 12.036 1.00 11.53 H new ATOM 0 HE3 LYS A 12 -16.502 -17.567 12.653 1.00 11.53 H new ATOM 0 HZ1 LYS A 12 -17.421 -16.845 14.545 1.00 71.25 H new ATOM 0 HZ2 LYS A 12 -17.344 -15.301 13.842 1.00 71.25 H new ATOM 0 HZ3 LYS A 12 -18.787 -16.194 13.775 1.00 71.25 H new ATOM 74 N LEU A 13 -11.914 -14.120 12.628 1.00 15.12 N ATOM 75 CA LEU A 13 -11.166 -13.676 13.799 1.00 30.32 C ATOM 76 C LEU A 13 -12.042 -12.826 14.713 1.00 54.04 C ATOM 77 O LEU A 13 -12.437 -11.717 14.354 1.00 14.41 O ATOM 78 CB LEU A 13 -9.933 -12.880 13.369 1.00 23.33 C ATOM 79 CG LEU A 13 -8.760 -12.876 14.352 1.00 71.13 C ATOM 80 CD1 LEU A 13 -7.453 -12.615 13.620 1.00 2.24 C ATOM 81 CD2 LEU A 13 -8.981 -11.836 15.441 1.00 33.20 C ATOM 0 H LEU A 13 -12.146 -13.376 11.969 1.00 15.12 H new ATOM 0 HA LEU A 13 -10.845 -14.559 14.352 1.00 30.32 H new ATOM 0 HB2 LEU A 13 -9.582 -13.278 12.417 1.00 23.33 H new ATOM 0 HB3 LEU A 13 -10.235 -11.848 13.191 1.00 23.33 H new ATOM 0 HG LEU A 13 -8.700 -13.858 14.822 1.00 71.13 H new ATOM 0 HD11 LEU A 13 -6.630 -12.616 14.334 1.00 2.24 H new ATOM 0 HD12 LEU A 13 -7.290 -13.396 12.877 1.00 2.24 H new ATOM 0 HD13 LEU A 13 -7.502 -11.646 13.123 1.00 2.24 H new ATOM 0 HD21 LEU A 13 -8.137 -11.847 16.131 1.00 33.20 H new ATOM 0 HD22 LEU A 13 -9.067 -10.848 14.989 1.00 33.20 H new ATOM 0 HD23 LEU A 13 -9.897 -12.067 15.984 1.00 33.20 H new ATOM 93 N ILE A 14 -12.338 -13.352 15.897 1.00 42.13 N ATOM 94 CA ILE A 14 -13.163 -12.639 16.865 1.00 22.53 C ATOM 95 C ILE A 14 -12.343 -11.610 17.634 1.00 20.35 C ATOM 96 O ILE A 14 -11.443 -11.964 18.397 1.00 31.15 O ATOM 97 CB ILE A 14 -13.821 -13.608 17.865 1.00 63.32 C ATOM 98 CG1 ILE A 14 -14.620 -14.680 17.121 1.00 53.10 C ATOM 99 CG2 ILE A 14 -14.718 -12.846 18.829 1.00 12.25 C ATOM 100 CD1 ILE A 14 -15.722 -14.117 16.250 1.00 23.21 C ATOM 0 H ILE A 14 -12.019 -14.269 16.209 1.00 42.13 H new ATOM 0 HA ILE A 14 -13.943 -12.128 16.300 1.00 22.53 H new ATOM 0 HB ILE A 14 -13.037 -14.100 18.440 1.00 63.32 H new ATOM 0 HG12 ILE A 14 -13.940 -15.263 16.500 1.00 53.10 H new ATOM 0 HG13 ILE A 14 -15.056 -15.366 17.847 1.00 53.10 H new ATOM 0 HG21 ILE A 14 -15.176 -13.545 19.529 1.00 12.25 H new ATOM 0 HG22 ILE A 14 -14.124 -12.117 19.380 1.00 12.25 H new ATOM 0 HG23 ILE A 14 -15.498 -12.330 18.269 1.00 12.25 H new ATOM 0 HD11 ILE A 14 -16.246 -14.933 15.753 1.00 23.21 H new ATOM 0 HD12 ILE A 14 -16.424 -13.558 16.868 1.00 23.21 H new ATOM 0 HD13 ILE A 14 -15.290 -13.454 15.500 1.00 23.21 H new ATOM 112 N ILE A 15 -12.662 -10.337 17.433 1.00 72.01 N ATOM 113 CA ILE A 15 -11.957 -9.257 18.111 1.00 44.34 C ATOM 114 C ILE A 15 -12.549 -8.995 19.491 1.00 3.12 C ATOM 115 O ILE A 15 -13.683 -8.533 19.614 1.00 5.14 O ATOM 116 CB ILE A 15 -12.001 -7.954 17.291 1.00 60.41 C ATOM 117 CG1 ILE A 15 -11.444 -8.191 15.885 1.00 21.24 C ATOM 118 CG2 ILE A 15 -11.219 -6.856 17.997 1.00 55.42 C ATOM 119 CD1 ILE A 15 -11.573 -6.991 14.974 1.00 34.54 C ATOM 0 H ILE A 15 -13.405 -10.028 16.806 1.00 72.01 H new ATOM 0 HA ILE A 15 -10.920 -9.576 18.217 1.00 44.34 H new ATOM 0 HB ILE A 15 -13.039 -7.634 17.202 1.00 60.41 H new ATOM 0 HG12 ILE A 15 -10.392 -8.468 15.961 1.00 21.24 H new ATOM 0 HG13 ILE A 15 -11.964 -9.036 15.435 1.00 21.24 H new ATOM 0 HG21 ILE A 15 -11.260 -5.942 17.405 1.00 55.42 H new ATOM 0 HG22 ILE A 15 -11.655 -6.672 18.979 1.00 55.42 H new ATOM 0 HG23 ILE A 15 -10.181 -7.166 18.114 1.00 55.42 H new ATOM 0 HD11 ILE A 15 -11.158 -7.231 13.995 1.00 34.54 H new ATOM 0 HD12 ILE A 15 -12.625 -6.727 14.867 1.00 34.54 H new ATOM 0 HD13 ILE A 15 -11.029 -6.149 15.402 1.00 34.54 H new ATOM 131 N ASN A 16 -11.772 -9.291 20.528 1.00 60.12 N ATOM 132 CA ASN A 16 -12.219 -9.087 21.901 1.00 11.04 C ATOM 133 C ASN A 16 -11.175 -8.317 22.705 1.00 13.01 C ATOM 134 O ASN A 16 -10.298 -8.911 23.332 1.00 61.40 O ATOM 135 CB ASN A 16 -12.506 -10.432 22.571 1.00 25.41 C ATOM 136 CG ASN A 16 -13.943 -10.879 22.380 1.00 12.13 C ATOM 137 OD1 ASN A 16 -14.203 -11.937 21.807 1.00 15.52 O ATOM 138 ND2 ASN A 16 -14.882 -10.072 22.859 1.00 71.04 N ATOM 0 H ASN A 16 -10.830 -9.673 20.444 1.00 60.12 H new ATOM 0 HA ASN A 16 -13.136 -8.499 21.874 1.00 11.04 H new ATOM 0 HB2 ASN A 16 -11.836 -11.188 22.163 1.00 25.41 H new ATOM 0 HB3 ASN A 16 -12.290 -10.357 23.637 1.00 25.41 H new ATOM 0 HD21 ASN A 16 -15.867 -10.319 22.759 1.00 71.04 H new ATOM 0 HD22 ASN A 16 -14.619 -9.205 23.327 1.00 71.04 H new ATOM 145 N GLY A 17 -11.275 -6.992 22.680 1.00 21.43 N ATOM 146 CA GLY A 17 -10.334 -6.163 23.411 1.00 34.54 C ATOM 147 C GLY A 17 -10.937 -4.840 23.839 1.00 24.01 C ATOM 148 O GLY A 17 -12.158 -4.680 23.848 1.00 42.44 O ATOM 0 H GLY A 17 -11.991 -6.477 22.167 1.00 21.43 H new ATOM 0 HA2 GLY A 17 -9.988 -6.703 24.292 1.00 34.54 H new ATOM 0 HA3 GLY A 17 -9.460 -5.975 22.788 1.00 34.54 H new ATOM 152 N LYS A 18 -10.081 -3.890 24.196 1.00 71.13 N ATOM 153 CA LYS A 18 -10.534 -2.574 24.630 1.00 52.20 C ATOM 154 C LYS A 18 -10.514 -1.583 23.470 1.00 55.11 C ATOM 155 O LYS A 18 -11.524 -0.950 23.160 1.00 12.41 O ATOM 156 CB LYS A 18 -9.655 -2.057 25.770 1.00 24.34 C ATOM 157 CG LYS A 18 -9.596 -2.995 26.964 1.00 63.53 C ATOM 158 CD LYS A 18 -8.261 -2.897 27.684 1.00 1.43 C ATOM 159 CE LYS A 18 -8.294 -1.844 28.780 1.00 70.43 C ATOM 160 NZ LYS A 18 -9.288 -2.176 29.839 1.00 22.11 N1+ ATOM 0 H LYS A 18 -9.068 -4.007 24.193 1.00 71.13 H new ATOM 0 HA LYS A 18 -11.559 -2.671 24.987 1.00 52.20 H new ATOM 0 HB2 LYS A 18 -8.644 -1.896 25.394 1.00 24.34 H new ATOM 0 HB3 LYS A 18 -10.032 -1.088 26.098 1.00 24.34 H new ATOM 0 HG2 LYS A 18 -10.403 -2.755 27.657 1.00 63.53 H new ATOM 0 HG3 LYS A 18 -9.756 -4.020 26.631 1.00 63.53 H new ATOM 0 HD2 LYS A 18 -8.008 -3.865 28.116 1.00 1.43 H new ATOM 0 HD3 LYS A 18 -7.477 -2.653 26.967 1.00 1.43 H new ATOM 0 HE2 LYS A 18 -7.304 -1.754 29.227 1.00 70.43 H new ATOM 0 HE3 LYS A 18 -8.537 -0.875 28.345 1.00 70.43 H new ATOM 0 HZ1 LYS A 18 -8.821 -2.170 30.768 1.00 22.11 H new ATOM 0 HZ2 LYS A 18 -10.052 -1.471 29.831 1.00 22.11 H new ATOM 0 HZ3 LYS A 18 -9.686 -3.120 29.658 1.00 22.11 H new ATOM 174 N THR A 19 -9.356 -1.453 22.829 1.00 41.51 N ATOM 175 CA THR A 19 -9.203 -0.540 21.703 1.00 51.42 C ATOM 176 C THR A 19 -9.942 -1.055 20.473 1.00 1.04 C ATOM 177 O THR A 19 -10.334 -0.278 19.601 1.00 53.32 O ATOM 178 CB THR A 19 -7.719 -0.330 21.346 1.00 42.42 C ATOM 179 OG1 THR A 19 -6.925 -0.332 22.538 1.00 61.23 O ATOM 180 CG2 THR A 19 -7.522 0.981 20.601 1.00 4.23 C ATOM 0 H THR A 19 -8.510 -1.969 23.071 1.00 41.51 H new ATOM 0 HA THR A 19 -9.633 0.413 22.009 1.00 51.42 H new ATOM 0 HB THR A 19 -7.404 -1.148 20.698 1.00 42.42 H new ATOM 0 HG1 THR A 19 -5.983 -0.200 22.304 1.00 61.23 H new ATOM 0 HG21 THR A 19 -6.467 1.107 20.360 1.00 4.23 H new ATOM 0 HG22 THR A 19 -8.106 0.968 19.681 1.00 4.23 H new ATOM 0 HG23 THR A 19 -7.852 1.809 21.228 1.00 4.23 H new ATOM 188 N LEU A 20 -10.131 -2.368 20.409 1.00 34.22 N ATOM 189 CA LEU A 20 -10.824 -2.988 19.285 1.00 63.10 C ATOM 190 C LEU A 20 -11.765 -4.088 19.766 1.00 35.53 C ATOM 191 O LEU A 20 -11.345 -5.029 20.438 1.00 70.32 O ATOM 192 CB LEU A 20 -9.813 -3.563 18.292 1.00 12.42 C ATOM 193 CG LEU A 20 -9.365 -2.625 17.171 1.00 10.52 C ATOM 194 CD1 LEU A 20 -8.315 -3.297 16.298 1.00 42.02 C ATOM 195 CD2 LEU A 20 -10.558 -2.188 16.332 1.00 43.51 C ATOM 0 H LEU A 20 -9.814 -3.024 21.122 1.00 34.22 H new ATOM 0 HA LEU A 20 -11.417 -2.221 18.787 1.00 63.10 H new ATOM 0 HB2 LEU A 20 -8.930 -3.882 18.846 1.00 12.42 H new ATOM 0 HB3 LEU A 20 -10.245 -4.456 17.840 1.00 12.42 H new ATOM 0 HG LEU A 20 -8.919 -1.739 17.623 1.00 10.52 H new ATOM 0 HD11 LEU A 20 -8.009 -2.614 15.506 1.00 42.02 H new ATOM 0 HD12 LEU A 20 -7.449 -3.559 16.906 1.00 42.02 H new ATOM 0 HD13 LEU A 20 -8.734 -4.201 15.856 1.00 42.02 H new ATOM 0 HD21 LEU A 20 -10.220 -1.521 15.539 1.00 43.51 H new ATOM 0 HD22 LEU A 20 -11.033 -3.064 15.891 1.00 43.51 H new ATOM 0 HD23 LEU A 20 -11.276 -1.666 16.964 1.00 43.51 H new ATOM 207 N LYS A 21 -13.041 -3.964 19.414 1.00 21.43 N ATOM 208 CA LYS A 21 -14.042 -4.948 19.805 1.00 21.33 C ATOM 209 C LYS A 21 -14.966 -5.278 18.637 1.00 60.43 C ATOM 210 O LYS A 21 -15.326 -4.402 17.851 1.00 63.44 O ATOM 211 CB LYS A 21 -14.862 -4.429 20.988 1.00 55.53 C ATOM 212 CG LYS A 21 -15.663 -3.178 20.670 1.00 4.33 C ATOM 213 CD LYS A 21 -16.187 -2.515 21.933 1.00 61.32 C ATOM 214 CE LYS A 21 -15.131 -1.626 22.573 1.00 60.53 C ATOM 215 NZ LYS A 21 -15.718 -0.722 23.601 1.00 75.34 N1+ ATOM 0 H LYS A 21 -13.406 -3.190 18.858 1.00 21.43 H new ATOM 0 HA LYS A 21 -13.523 -5.859 20.103 1.00 21.33 H new ATOM 0 HB2 LYS A 21 -15.544 -5.213 21.319 1.00 55.53 H new ATOM 0 HB3 LYS A 21 -14.191 -4.219 21.820 1.00 55.53 H new ATOM 0 HG2 LYS A 21 -15.037 -2.474 20.121 1.00 4.33 H new ATOM 0 HG3 LYS A 21 -16.499 -3.436 20.020 1.00 4.33 H new ATOM 0 HD2 LYS A 21 -17.069 -1.921 21.695 1.00 61.32 H new ATOM 0 HD3 LYS A 21 -16.500 -3.280 22.644 1.00 61.32 H new ATOM 0 HE2 LYS A 21 -14.362 -2.248 23.032 1.00 60.53 H new ATOM 0 HE3 LYS A 21 -14.641 -1.031 21.802 1.00 60.53 H new ATOM 0 HZ1 LYS A 21 -14.967 -0.132 24.014 1.00 75.34 H new ATOM 0 HZ2 LYS A 21 -16.434 -0.111 23.158 1.00 75.34 H new ATOM 0 HZ3 LYS A 21 -16.163 -1.290 24.350 1.00 75.34 H new ATOM 229 N GLY A 22 -15.348 -6.547 18.530 1.00 22.24 N ATOM 230 CA GLY A 22 -16.228 -6.969 17.456 1.00 13.53 C ATOM 231 C GLY A 22 -15.782 -8.270 16.818 1.00 12.33 C ATOM 232 O GLY A 22 -15.213 -9.132 17.487 1.00 22.45 O ATOM 0 H GLY A 22 -15.064 -7.290 19.168 1.00 22.24 H new ATOM 0 HA2 GLY A 22 -17.240 -7.087 17.844 1.00 13.53 H new ATOM 0 HA3 GLY A 22 -16.267 -6.190 16.695 1.00 13.53 H new ATOM 236 N GLU A 23 -16.043 -8.412 15.523 1.00 55.04 N ATOM 237 CA GLU A 23 -15.667 -9.619 14.796 1.00 22.00 C ATOM 238 C GLU A 23 -15.596 -9.351 13.296 1.00 41.13 C ATOM 239 O GLU A 23 -16.132 -8.358 12.805 1.00 33.05 O ATOM 240 CB GLU A 23 -16.666 -10.743 15.079 1.00 73.21 C ATOM 241 CG GLU A 23 -18.076 -10.439 14.603 1.00 40.15 C ATOM 242 CD GLU A 23 -19.053 -11.553 14.923 1.00 51.12 C ATOM 243 OE1 GLU A 23 -19.503 -12.236 13.978 1.00 23.04 O ATOM 244 OE2 GLU A 23 -19.368 -11.743 16.115 1.00 74.14 O1- ATOM 0 H GLU A 23 -16.513 -7.707 14.956 1.00 55.04 H new ATOM 0 HA GLU A 23 -14.679 -9.926 15.139 1.00 22.00 H new ATOM 0 HB2 GLU A 23 -16.318 -11.657 14.597 1.00 73.21 H new ATOM 0 HB3 GLU A 23 -16.688 -10.937 16.151 1.00 73.21 H new ATOM 0 HG2 GLU A 23 -18.420 -9.515 15.067 1.00 40.15 H new ATOM 0 HG3 GLU A 23 -18.063 -10.270 13.526 1.00 40.15 H new ATOM 251 N THR A 24 -14.931 -10.245 12.572 1.00 60.32 N ATOM 252 CA THR A 24 -14.788 -10.106 11.128 1.00 25.32 C ATOM 253 C THR A 24 -14.105 -11.328 10.522 1.00 65.41 C ATOM 254 O THR A 24 -13.487 -12.121 11.232 1.00 73.40 O ATOM 255 CB THR A 24 -13.981 -8.846 10.762 1.00 52.33 C ATOM 256 OG1 THR A 24 -13.990 -8.653 9.343 1.00 13.43 O ATOM 257 CG2 THR A 24 -12.546 -8.961 11.254 1.00 52.42 C ATOM 0 H THR A 24 -14.482 -11.074 12.962 1.00 60.32 H new ATOM 0 HA THR A 24 -15.794 -10.016 10.718 1.00 25.32 H new ATOM 0 HB THR A 24 -14.448 -7.989 11.248 1.00 52.33 H new ATOM 0 HG1 THR A 24 -13.476 -7.849 9.119 1.00 13.43 H new ATOM 0 HG21 THR A 24 -11.995 -8.060 10.984 1.00 52.42 H new ATOM 0 HG22 THR A 24 -12.541 -9.078 12.338 1.00 52.42 H new ATOM 0 HG23 THR A 24 -12.072 -9.828 10.793 1.00 52.42 H new ATOM 265 N THR A 25 -14.220 -11.472 9.206 1.00 73.42 N ATOM 266 CA THR A 25 -13.614 -12.596 8.505 1.00 54.14 C ATOM 267 C THR A 25 -12.436 -12.142 7.651 1.00 20.24 C ATOM 268 O THR A 25 -12.331 -10.968 7.291 1.00 21.12 O ATOM 269 CB THR A 25 -14.637 -13.316 7.606 1.00 10.51 C ATOM 270 OG1 THR A 25 -15.230 -12.384 6.696 1.00 15.43 O ATOM 271 CG2 THR A 25 -15.723 -13.976 8.444 1.00 35.12 C ATOM 0 H THR A 25 -14.728 -10.824 8.604 1.00 73.42 H new ATOM 0 HA THR A 25 -13.260 -13.289 9.268 1.00 54.14 H new ATOM 0 HB THR A 25 -14.114 -14.089 7.044 1.00 10.51 H new ATOM 0 HG1 THR A 25 -15.878 -12.850 6.127 1.00 15.43 H new ATOM 0 HG21 THR A 25 -16.434 -14.478 7.788 1.00 35.12 H new ATOM 0 HG22 THR A 25 -15.271 -14.706 9.116 1.00 35.12 H new ATOM 0 HG23 THR A 25 -16.243 -13.217 9.029 1.00 35.12 H new ATOM 279 N THR A 26 -11.549 -13.077 7.327 1.00 34.41 N ATOM 280 CA THR A 26 -10.377 -12.773 6.515 1.00 23.42 C ATOM 281 C THR A 26 -10.150 -13.844 5.454 1.00 1.43 C ATOM 282 O THR A 26 -10.175 -15.038 5.750 1.00 70.12 O ATOM 283 CB THR A 26 -9.110 -12.648 7.382 1.00 73.24 C ATOM 284 OG1 THR A 26 -9.275 -11.597 8.342 1.00 42.35 O ATOM 285 CG2 THR A 26 -7.890 -12.366 6.518 1.00 5.44 C ATOM 0 H THR A 26 -11.620 -14.053 7.615 1.00 34.41 H new ATOM 0 HA THR A 26 -10.570 -11.818 6.027 1.00 23.42 H new ATOM 0 HB THR A 26 -8.957 -13.594 7.902 1.00 73.24 H new ATOM 0 HG1 THR A 26 -8.466 -11.525 8.890 1.00 42.35 H new ATOM 0 HG21 THR A 26 -7.007 -12.282 7.152 1.00 5.44 H new ATOM 0 HG22 THR A 26 -7.751 -13.181 5.808 1.00 5.44 H new ATOM 0 HG23 THR A 26 -8.037 -11.433 5.974 1.00 5.44 H new ATOM 293 N GLU A 27 -9.928 -13.407 4.218 1.00 32.30 N ATOM 294 CA GLU A 27 -9.696 -14.331 3.113 1.00 63.52 C ATOM 295 C GLU A 27 -8.215 -14.386 2.752 1.00 43.23 C ATOM 296 O GLU A 27 -7.698 -13.502 2.070 1.00 74.31 O ATOM 297 CB GLU A 27 -10.515 -13.913 1.890 1.00 70.54 C ATOM 298 CG GLU A 27 -12.013 -13.877 2.144 1.00 43.32 C ATOM 299 CD GLU A 27 -12.728 -12.861 1.274 1.00 43.31 C ATOM 300 OE1 GLU A 27 -12.458 -11.652 1.431 1.00 4.11 O ATOM 301 OE2 GLU A 27 -13.557 -13.275 0.437 1.00 22.03 O1- ATOM 0 H GLU A 27 -9.904 -12.421 3.957 1.00 32.30 H new ATOM 0 HA GLU A 27 -10.012 -15.325 3.431 1.00 63.52 H new ATOM 0 HB2 GLU A 27 -10.187 -12.926 1.563 1.00 70.54 H new ATOM 0 HB3 GLU A 27 -10.310 -14.604 1.072 1.00 70.54 H new ATOM 0 HG2 GLU A 27 -12.433 -14.866 1.961 1.00 43.32 H new ATOM 0 HG3 GLU A 27 -12.194 -13.643 3.193 1.00 43.32 H new ATOM 308 N ALA A 28 -7.538 -15.431 3.216 1.00 74.12 N ATOM 309 CA ALA A 28 -6.116 -15.604 2.941 1.00 14.14 C ATOM 310 C ALA A 28 -5.835 -16.981 2.349 1.00 53.14 C ATOM 311 O ALA A 28 -6.754 -17.763 2.107 1.00 13.53 O ATOM 312 CB ALA A 28 -5.304 -15.397 4.211 1.00 23.24 C ATOM 0 H ALA A 28 -7.951 -16.171 3.784 1.00 74.12 H new ATOM 0 HA ALA A 28 -5.819 -14.855 2.207 1.00 14.14 H new ATOM 0 HB1 ALA A 28 -4.245 -15.529 3.991 1.00 23.24 H new ATOM 0 HB2 ALA A 28 -5.473 -14.389 4.591 1.00 23.24 H new ATOM 0 HB3 ALA A 28 -5.612 -16.124 4.962 1.00 23.24 H new ATOM 318 N VAL A 29 -4.558 -17.270 2.117 1.00 12.53 N ATOM 319 CA VAL A 29 -4.156 -18.552 1.552 1.00 53.42 C ATOM 320 C VAL A 29 -4.079 -19.627 2.631 1.00 41.52 C ATOM 321 O VAL A 29 -4.350 -20.800 2.373 1.00 0.11 O ATOM 322 CB VAL A 29 -2.790 -18.452 0.847 1.00 63.21 C ATOM 323 CG1 VAL A 29 -1.700 -18.090 1.843 1.00 70.40 C ATOM 324 CG2 VAL A 29 -2.462 -19.755 0.134 1.00 54.14 C ATOM 0 H VAL A 29 -3.785 -16.634 2.312 1.00 12.53 H new ATOM 0 HA VAL A 29 -4.915 -18.827 0.820 1.00 53.42 H new ATOM 0 HB VAL A 29 -2.843 -17.660 0.100 1.00 63.21 H new ATOM 0 HG11 VAL A 29 -0.742 -18.024 1.326 1.00 70.40 H new ATOM 0 HG12 VAL A 29 -1.931 -17.129 2.302 1.00 70.40 H new ATOM 0 HG13 VAL A 29 -1.643 -18.857 2.615 1.00 70.40 H new ATOM 0 HG21 VAL A 29 -1.494 -19.666 -0.359 1.00 54.14 H new ATOM 0 HG22 VAL A 29 -2.427 -20.568 0.859 1.00 54.14 H new ATOM 0 HG23 VAL A 29 -3.230 -19.966 -0.610 1.00 54.14 H new ATOM 334 N ASP A 30 -3.712 -19.219 3.840 1.00 70.43 N ATOM 335 CA ASP A 30 -3.601 -20.147 4.960 1.00 73.32 C ATOM 336 C ASP A 30 -3.907 -19.445 6.280 1.00 34.55 C ATOM 337 O ASP A 30 -4.014 -18.221 6.332 1.00 33.13 O ATOM 338 CB ASP A 30 -2.201 -20.760 5.006 1.00 34.04 C ATOM 339 CG ASP A 30 -2.088 -22.009 4.155 1.00 22.35 C ATOM 340 OD1 ASP A 30 -1.564 -21.912 3.024 1.00 10.52 O ATOM 341 OD2 ASP A 30 -2.520 -23.085 4.618 1.00 12.45 O1- ATOM 0 H ASP A 30 -3.486 -18.251 4.070 1.00 70.43 H new ATOM 0 HA ASP A 30 -4.332 -20.942 4.814 1.00 73.32 H new ATOM 0 HB2 ASP A 30 -1.474 -20.024 4.664 1.00 34.04 H new ATOM 0 HB3 ASP A 30 -1.948 -21.003 6.038 1.00 34.04 H new ATOM 346 N ALA A 31 -4.047 -20.230 7.343 1.00 52.43 N ATOM 347 CA ALA A 31 -4.340 -19.684 8.662 1.00 61.11 C ATOM 348 C ALA A 31 -3.283 -18.667 9.082 1.00 62.31 C ATOM 349 O ALA A 31 -3.610 -17.579 9.556 1.00 72.41 O ATOM 350 CB ALA A 31 -4.434 -20.803 9.688 1.00 3.03 C ATOM 0 H ALA A 31 -3.962 -21.246 7.316 1.00 52.43 H new ATOM 0 HA ALA A 31 -5.301 -19.172 8.610 1.00 61.11 H new ATOM 0 HB1 ALA A 31 -4.653 -20.380 10.668 1.00 3.03 H new ATOM 0 HB2 ALA A 31 -5.230 -21.492 9.404 1.00 3.03 H new ATOM 0 HB3 ALA A 31 -3.486 -21.340 9.728 1.00 3.03 H new ATOM 356 N ALA A 32 -2.017 -19.029 8.904 1.00 53.21 N ATOM 357 CA ALA A 32 -0.914 -18.148 9.263 1.00 75.24 C ATOM 358 C ALA A 32 -0.990 -16.832 8.496 1.00 53.21 C ATOM 359 O ALA A 32 -0.479 -15.807 8.948 1.00 32.14 O ATOM 360 CB ALA A 32 0.419 -18.836 9.002 1.00 74.13 C ATOM 0 H ALA A 32 -1.730 -19.926 8.513 1.00 53.21 H new ATOM 0 HA ALA A 32 -0.993 -17.924 10.327 1.00 75.24 H new ATOM 0 HB1 ALA A 32 1.234 -18.166 9.275 1.00 74.13 H new ATOM 0 HB2 ALA A 32 0.482 -19.746 9.599 1.00 74.13 H new ATOM 0 HB3 ALA A 32 0.497 -19.090 7.945 1.00 74.13 H new ATOM 366 N THR A 33 -1.632 -16.865 7.333 1.00 2.33 N ATOM 367 CA THR A 33 -1.774 -15.676 6.503 1.00 44.21 C ATOM 368 C THR A 33 -2.952 -14.824 6.961 1.00 51.53 C ATOM 369 O THR A 33 -2.832 -13.608 7.103 1.00 72.34 O ATOM 370 CB THR A 33 -1.968 -16.047 5.020 1.00 63.41 C ATOM 371 OG1 THR A 33 -1.078 -17.107 4.659 1.00 42.41 O ATOM 372 CG2 THR A 33 -1.720 -14.842 4.125 1.00 40.45 C ATOM 0 H THR A 33 -2.063 -17.704 6.944 1.00 2.33 H new ATOM 0 HA THR A 33 -0.853 -15.103 6.609 1.00 44.21 H new ATOM 0 HB THR A 33 -2.998 -16.377 4.882 1.00 63.41 H new ATOM 0 HG1 THR A 33 -0.487 -16.806 3.938 1.00 42.41 H new ATOM 0 HG21 THR A 33 -1.863 -15.127 3.083 1.00 40.45 H new ATOM 0 HG22 THR A 33 -2.420 -14.047 4.383 1.00 40.45 H new ATOM 0 HG23 THR A 33 -0.699 -14.487 4.268 1.00 40.45 H new ATOM 380 N ALA A 34 -4.091 -15.470 7.190 1.00 14.43 N ATOM 381 CA ALA A 34 -5.290 -14.770 7.635 1.00 52.31 C ATOM 382 C ALA A 34 -4.998 -13.901 8.853 1.00 14.13 C ATOM 383 O ALA A 34 -5.407 -12.742 8.911 1.00 15.02 O ATOM 384 CB ALA A 34 -6.396 -15.767 7.948 1.00 63.31 C ATOM 0 H ALA A 34 -4.208 -16.477 7.075 1.00 14.43 H new ATOM 0 HA ALA A 34 -5.621 -14.117 6.827 1.00 52.31 H new ATOM 0 HB1 ALA A 34 -7.286 -15.231 8.279 1.00 63.31 H new ATOM 0 HB2 ALA A 34 -6.631 -16.342 7.053 1.00 63.31 H new ATOM 0 HB3 ALA A 34 -6.065 -16.442 8.737 1.00 63.31 H new ATOM 390 N GLU A 35 -4.289 -14.469 9.823 1.00 23.25 N ATOM 391 CA GLU A 35 -3.944 -13.745 11.041 1.00 61.13 C ATOM 392 C GLU A 35 -3.033 -12.561 10.731 1.00 54.43 C ATOM 393 O GLU A 35 -3.220 -11.463 11.256 1.00 43.12 O ATOM 394 CB GLU A 35 -3.263 -14.680 12.042 1.00 10.44 C ATOM 395 CG GLU A 35 -2.876 -13.999 13.344 1.00 0.41 C ATOM 396 CD GLU A 35 -1.951 -14.848 14.194 1.00 3.15 C ATOM 397 OE1 GLU A 35 -1.657 -15.992 13.788 1.00 70.32 O ATOM 398 OE2 GLU A 35 -1.521 -14.371 15.264 1.00 74.33 O1- ATOM 0 H GLU A 35 -3.942 -15.428 9.789 1.00 23.25 H new ATOM 0 HA GLU A 35 -4.866 -13.365 11.481 1.00 61.13 H new ATOM 0 HB2 GLU A 35 -3.931 -15.512 12.262 1.00 10.44 H new ATOM 0 HB3 GLU A 35 -2.369 -15.102 11.583 1.00 10.44 H new ATOM 0 HG2 GLU A 35 -2.390 -13.049 13.122 1.00 0.41 H new ATOM 0 HG3 GLU A 35 -3.778 -13.770 13.912 1.00 0.41 H new ATOM 405 N LYS A 36 -2.044 -12.793 9.874 1.00 23.15 N ATOM 406 CA LYS A 36 -1.102 -11.747 9.491 1.00 52.14 C ATOM 407 C LYS A 36 -1.833 -10.546 8.900 1.00 35.55 C ATOM 408 O LYS A 36 -1.340 -9.419 8.953 1.00 40.44 O ATOM 409 CB LYS A 36 -0.090 -12.289 8.480 1.00 72.33 C ATOM 410 CG LYS A 36 1.152 -11.427 8.340 1.00 62.51 C ATOM 411 CD LYS A 36 1.950 -11.795 7.101 1.00 63.21 C ATOM 412 CE LYS A 36 2.965 -12.889 7.396 1.00 13.24 C ATOM 413 NZ LYS A 36 2.312 -14.212 7.593 1.00 11.12 N1+ ATOM 0 H LYS A 36 -1.874 -13.696 9.431 1.00 23.15 H new ATOM 0 HA LYS A 36 -0.573 -11.423 10.387 1.00 52.14 H new ATOM 0 HB2 LYS A 36 0.207 -13.294 8.780 1.00 72.33 H new ATOM 0 HB3 LYS A 36 -0.573 -12.376 7.507 1.00 72.33 H new ATOM 0 HG2 LYS A 36 0.863 -10.377 8.289 1.00 62.51 H new ATOM 0 HG3 LYS A 36 1.778 -11.543 9.225 1.00 62.51 H new ATOM 0 HD2 LYS A 36 1.272 -12.129 6.316 1.00 63.21 H new ATOM 0 HD3 LYS A 36 2.465 -10.912 6.723 1.00 63.21 H new ATOM 0 HE2 LYS A 36 3.678 -12.955 6.574 1.00 13.24 H new ATOM 0 HE3 LYS A 36 3.532 -12.627 8.289 1.00 13.24 H new ATOM 0 HZ1 LYS A 36 2.960 -14.967 7.291 1.00 11.12 H new ATOM 0 HZ2 LYS A 36 2.078 -14.337 8.599 1.00 11.12 H new ATOM 0 HZ3 LYS A 36 1.441 -14.257 7.027 1.00 11.12 H new ATOM 427 N VAL A 37 -3.012 -10.793 8.338 1.00 25.42 N ATOM 428 CA VAL A 37 -3.812 -9.732 7.740 1.00 74.43 C ATOM 429 C VAL A 37 -4.267 -8.727 8.791 1.00 55.41 C ATOM 430 O VAL A 37 -3.923 -7.546 8.728 1.00 34.14 O ATOM 431 CB VAL A 37 -5.049 -10.299 7.019 1.00 34.33 C ATOM 432 CG1 VAL A 37 -5.833 -9.184 6.345 1.00 11.13 C ATOM 433 CG2 VAL A 37 -4.636 -11.358 6.007 1.00 73.44 C ATOM 0 H VAL A 37 -3.434 -11.720 8.285 1.00 25.42 H new ATOM 0 HA VAL A 37 -3.175 -9.229 7.012 1.00 74.43 H new ATOM 0 HB VAL A 37 -5.696 -10.769 7.760 1.00 34.33 H new ATOM 0 HG11 VAL A 37 -6.703 -9.604 5.841 1.00 11.13 H new ATOM 0 HG12 VAL A 37 -6.161 -8.465 7.095 1.00 11.13 H new ATOM 0 HG13 VAL A 37 -5.198 -8.683 5.615 1.00 11.13 H new ATOM 0 HG21 VAL A 37 -5.522 -11.748 5.507 1.00 73.44 H new ATOM 0 HG22 VAL A 37 -3.968 -10.915 5.269 1.00 73.44 H new ATOM 0 HG23 VAL A 37 -4.122 -12.171 6.520 1.00 73.44 H new ATOM 443 N PHE A 38 -5.042 -9.203 9.760 1.00 35.23 N ATOM 444 CA PHE A 38 -5.546 -8.346 10.827 1.00 24.31 C ATOM 445 C PHE A 38 -4.436 -7.998 11.815 1.00 41.43 C ATOM 446 O PHE A 38 -4.559 -7.056 12.599 1.00 64.14 O ATOM 447 CB PHE A 38 -6.700 -9.034 11.561 1.00 35.21 C ATOM 448 CG PHE A 38 -7.185 -8.272 12.760 1.00 2.41 C ATOM 449 CD1 PHE A 38 -6.638 -8.500 14.012 1.00 54.14 C ATOM 450 CD2 PHE A 38 -8.191 -7.326 12.636 1.00 23.13 C ATOM 451 CE1 PHE A 38 -7.083 -7.801 15.118 1.00 44.12 C ATOM 452 CE2 PHE A 38 -8.641 -6.624 13.738 1.00 32.11 C ATOM 453 CZ PHE A 38 -8.087 -6.862 14.981 1.00 3.24 C ATOM 0 H PHE A 38 -5.335 -10.178 9.828 1.00 35.23 H new ATOM 0 HA PHE A 38 -5.910 -7.423 10.376 1.00 24.31 H new ATOM 0 HB2 PHE A 38 -7.530 -9.172 10.868 1.00 35.21 H new ATOM 0 HB3 PHE A 38 -6.379 -10.027 11.877 1.00 35.21 H new ATOM 0 HD1 PHE A 38 -5.854 -9.234 14.125 1.00 54.14 H new ATOM 0 HD2 PHE A 38 -8.628 -7.136 11.667 1.00 23.13 H new ATOM 0 HE1 PHE A 38 -6.647 -7.989 16.088 1.00 44.12 H new ATOM 0 HE2 PHE A 38 -9.425 -5.890 13.628 1.00 32.11 H new ATOM 0 HZ PHE A 38 -8.438 -6.315 15.844 1.00 3.24 H new ATOM 463 N LYS A 39 -3.352 -8.765 11.771 1.00 74.23 N ATOM 464 CA LYS A 39 -2.218 -8.540 12.660 1.00 2.32 C ATOM 465 C LYS A 39 -1.765 -7.084 12.604 1.00 50.00 C ATOM 466 O LYS A 39 -1.319 -6.525 13.607 1.00 52.52 O ATOM 467 CB LYS A 39 -1.057 -9.461 12.283 1.00 1.04 C ATOM 468 CG LYS A 39 -1.046 -10.772 13.049 1.00 51.34 C ATOM 469 CD LYS A 39 -0.318 -10.637 14.376 1.00 35.04 C ATOM 470 CE LYS A 39 1.177 -10.867 14.217 1.00 22.10 C ATOM 471 NZ LYS A 39 1.898 -10.747 15.514 1.00 62.01 N1+ ATOM 0 H LYS A 39 -3.235 -9.549 11.129 1.00 74.23 H new ATOM 0 HA LYS A 39 -2.536 -8.765 13.678 1.00 2.32 H new ATOM 0 HB2 LYS A 39 -1.106 -9.674 11.215 1.00 1.04 H new ATOM 0 HB3 LYS A 39 -0.117 -8.938 12.461 1.00 1.04 H new ATOM 0 HG2 LYS A 39 -2.070 -11.099 13.227 1.00 51.34 H new ATOM 0 HG3 LYS A 39 -0.565 -11.543 12.446 1.00 51.34 H new ATOM 0 HD2 LYS A 39 -0.493 -9.643 14.789 1.00 35.04 H new ATOM 0 HD3 LYS A 39 -0.724 -11.354 15.090 1.00 35.04 H new ATOM 0 HE2 LYS A 39 1.349 -11.858 13.796 1.00 22.10 H new ATOM 0 HE3 LYS A 39 1.582 -10.145 13.508 1.00 22.10 H new ATOM 0 HZ1 LYS A 39 2.914 -10.911 15.363 1.00 62.01 H new ATOM 0 HZ2 LYS A 39 1.755 -9.793 15.904 1.00 62.01 H new ATOM 0 HZ3 LYS A 39 1.529 -11.453 16.183 1.00 62.01 H new ATOM 485 N GLN A 40 -1.884 -6.475 11.429 1.00 32.35 N ATOM 486 CA GLN A 40 -1.486 -5.085 11.245 1.00 4.23 C ATOM 487 C GLN A 40 -2.606 -4.138 11.666 1.00 53.21 C ATOM 488 O GLN A 40 -2.353 -3.004 12.072 1.00 32.43 O ATOM 489 CB GLN A 40 -1.108 -4.829 9.785 1.00 54.41 C ATOM 490 CG GLN A 40 -0.639 -3.408 9.518 1.00 72.24 C ATOM 491 CD GLN A 40 -0.681 -3.046 8.047 1.00 34.41 C ATOM 492 OE1 GLN A 40 0.357 -2.904 7.400 1.00 60.23 O ATOM 493 NE2 GLN A 40 -1.885 -2.896 7.508 1.00 3.43 N ATOM 0 H GLN A 40 -2.253 -6.923 10.590 1.00 32.35 H new ATOM 0 HA GLN A 40 -0.618 -4.896 11.876 1.00 4.23 H new ATOM 0 HB2 GLN A 40 -0.319 -5.523 9.495 1.00 54.41 H new ATOM 0 HB3 GLN A 40 -1.969 -5.043 9.152 1.00 54.41 H new ATOM 0 HG2 GLN A 40 -1.264 -2.712 10.077 1.00 72.24 H new ATOM 0 HG3 GLN A 40 0.379 -3.290 9.888 1.00 72.24 H new ATOM 0 HE21 GLN A 40 -2.720 -3.023 8.081 1.00 3.43 H new ATOM 0 HE22 GLN A 40 -1.975 -2.654 6.521 1.00 3.43 H new ATOM 502 N TYR A 41 -3.842 -4.613 11.566 1.00 25.44 N ATOM 503 CA TYR A 41 -5.002 -3.808 11.935 1.00 72.32 C ATOM 504 C TYR A 41 -5.011 -3.520 13.433 1.00 14.54 C ATOM 505 O TYR A 41 -5.311 -2.406 13.860 1.00 1.03 O ATOM 506 CB TYR A 41 -6.293 -4.522 11.533 1.00 72.12 C ATOM 507 CG TYR A 41 -7.395 -3.583 11.100 1.00 71.14 C ATOM 508 CD1 TYR A 41 -7.176 -2.636 10.107 1.00 15.35 C ATOM 509 CD2 TYR A 41 -8.654 -3.640 11.684 1.00 34.44 C ATOM 510 CE1 TYR A 41 -8.180 -1.774 9.708 1.00 30.10 C ATOM 511 CE2 TYR A 41 -9.664 -2.784 11.291 1.00 72.32 C ATOM 512 CZ TYR A 41 -9.422 -1.852 10.302 1.00 60.12 C ATOM 513 OH TYR A 41 -10.425 -0.996 9.908 1.00 61.42 O ATOM 0 H TYR A 41 -4.067 -5.550 11.233 1.00 25.44 H new ATOM 0 HA TYR A 41 -4.939 -2.859 11.402 1.00 72.32 H new ATOM 0 HB2 TYR A 41 -6.077 -5.215 10.720 1.00 72.12 H new ATOM 0 HB3 TYR A 41 -6.645 -5.119 12.374 1.00 72.12 H new ATOM 0 HD1 TYR A 41 -6.205 -2.572 9.639 1.00 15.35 H new ATOM 0 HD2 TYR A 41 -8.847 -4.367 12.459 1.00 34.44 H new ATOM 0 HE1 TYR A 41 -7.993 -1.043 8.935 1.00 30.10 H new ATOM 0 HE2 TYR A 41 -10.638 -2.843 11.755 1.00 72.32 H new ATOM 0 HH TYR A 41 -11.237 -1.183 10.424 1.00 61.42 H new ATOM 523 N ALA A 42 -4.680 -4.534 14.226 1.00 31.04 N ATOM 524 CA ALA A 42 -4.646 -4.390 15.676 1.00 73.21 C ATOM 525 C ALA A 42 -3.562 -3.408 16.106 1.00 75.04 C ATOM 526 O ALA A 42 -3.761 -2.610 17.020 1.00 23.53 O ATOM 527 CB ALA A 42 -4.429 -5.744 16.336 1.00 0.44 C ATOM 0 H ALA A 42 -4.432 -5.464 13.888 1.00 31.04 H new ATOM 0 HA ALA A 42 -5.608 -3.991 15.999 1.00 73.21 H new ATOM 0 HB1 ALA A 42 -4.406 -5.621 17.419 1.00 0.44 H new ATOM 0 HB2 ALA A 42 -5.243 -6.416 16.064 1.00 0.44 H new ATOM 0 HB3 ALA A 42 -3.482 -6.166 15.998 1.00 0.44 H new ATOM 533 N ASN A 43 -2.413 -3.475 15.441 1.00 42.45 N ATOM 534 CA ASN A 43 -1.295 -2.593 15.756 1.00 74.54 C ATOM 535 C ASN A 43 -1.618 -1.150 15.380 1.00 3.41 C ATOM 536 O ASN A 43 -1.304 -0.218 16.120 1.00 30.41 O ATOM 537 CB ASN A 43 -0.033 -3.053 15.024 1.00 54.45 C ATOM 538 CG ASN A 43 1.147 -2.132 15.272 1.00 54.11 C ATOM 539 OD1 ASN A 43 1.833 -1.719 14.338 1.00 42.02 O ATOM 540 ND2 ASN A 43 1.388 -1.809 16.537 1.00 51.44 N ATOM 0 H ASN A 43 -2.232 -4.131 14.681 1.00 42.45 H new ATOM 0 HA ASN A 43 -1.120 -2.639 16.831 1.00 74.54 H new ATOM 0 HB2 ASN A 43 0.223 -4.062 15.346 1.00 54.45 H new ATOM 0 HB3 ASN A 43 -0.234 -3.101 13.954 1.00 54.45 H new ATOM 0 HD21 ASN A 43 2.169 -1.194 16.767 1.00 51.44 H new ATOM 0 HD22 ASN A 43 0.792 -2.175 17.279 1.00 51.44 H new ATOM 547 N ASP A 44 -2.248 -0.973 14.223 1.00 5.30 N ATOM 548 CA ASP A 44 -2.616 0.356 13.748 1.00 32.04 C ATOM 549 C ASP A 44 -3.732 0.948 14.601 1.00 73.23 C ATOM 550 O ASP A 44 -3.867 2.167 14.706 1.00 40.51 O ATOM 551 CB ASP A 44 -3.054 0.293 12.284 1.00 34.12 C ATOM 552 CG ASP A 44 -3.137 1.666 11.645 1.00 41.22 C ATOM 553 OD1 ASP A 44 -4.266 2.148 11.419 1.00 52.11 O ATOM 554 OD2 ASP A 44 -2.071 2.258 11.373 1.00 14.33 O1- ATOM 0 H ASP A 44 -2.514 -1.733 13.597 1.00 5.30 H new ATOM 0 HA ASP A 44 -1.741 1.000 13.830 1.00 32.04 H new ATOM 0 HB2 ASP A 44 -2.351 -0.323 11.724 1.00 34.12 H new ATOM 0 HB3 ASP A 44 -4.027 -0.194 12.219 1.00 34.12 H new ATOM 559 N ASN A 45 -4.531 0.078 15.210 1.00 12.44 N ATOM 560 CA ASN A 45 -5.637 0.515 16.054 1.00 4.43 C ATOM 561 C ASN A 45 -5.180 0.702 17.497 1.00 2.54 C ATOM 562 O ASN A 45 -5.823 1.401 18.278 1.00 51.11 O ATOM 563 CB ASN A 45 -6.782 -0.499 15.996 1.00 32.43 C ATOM 564 CG ASN A 45 -7.755 -0.209 14.869 1.00 4.13 C ATOM 565 OD1 ASN A 45 -8.575 0.704 14.962 1.00 3.15 O ATOM 566 ND2 ASN A 45 -7.667 -0.987 13.797 1.00 1.22 N ATOM 0 H ASN A 45 -4.433 -0.934 15.135 1.00 12.44 H new ATOM 0 HA ASN A 45 -5.991 1.475 15.677 1.00 4.43 H new ATOM 0 HB2 ASN A 45 -6.371 -1.500 15.869 1.00 32.43 H new ATOM 0 HB3 ASN A 45 -7.318 -0.493 16.945 1.00 32.43 H new ATOM 0 HD21 ASN A 45 -8.295 -0.839 13.007 1.00 1.22 H new ATOM 0 HD22 ASN A 45 -6.971 -1.732 13.763 1.00 1.22 H new ATOM 573 N GLY A 46 -4.063 0.068 17.845 1.00 12.14 N ATOM 574 CA GLY A 46 -3.539 0.178 19.194 1.00 34.23 C ATOM 575 C GLY A 46 -3.758 -1.084 20.005 1.00 14.22 C ATOM 576 O GLY A 46 -3.127 -1.282 21.044 1.00 44.23 O ATOM 0 H GLY A 46 -3.513 -0.519 17.218 1.00 12.14 H new ATOM 0 HA2 GLY A 46 -2.472 0.397 19.149 1.00 34.23 H new ATOM 0 HA3 GLY A 46 -4.016 1.018 19.699 1.00 34.23 H new ATOM 580 N LEU A 47 -4.658 -1.940 19.532 1.00 61.12 N ATOM 581 CA LEU A 47 -4.963 -3.189 20.222 1.00 50.34 C ATOM 582 C LEU A 47 -3.811 -4.180 20.086 1.00 21.24 C ATOM 583 O LEU A 47 -3.307 -4.415 18.988 1.00 61.41 O ATOM 584 CB LEU A 47 -6.248 -3.803 19.664 1.00 63.31 C ATOM 585 CG LEU A 47 -7.036 -4.695 20.623 1.00 52.14 C ATOM 586 CD1 LEU A 47 -6.217 -5.915 21.013 1.00 74.31 C ATOM 587 CD2 LEU A 47 -7.452 -3.912 21.859 1.00 23.14 C ATOM 0 H LEU A 47 -5.189 -1.792 18.674 1.00 61.12 H new ATOM 0 HA LEU A 47 -5.104 -2.966 21.280 1.00 50.34 H new ATOM 0 HB2 LEU A 47 -6.900 -2.994 19.333 1.00 63.31 H new ATOM 0 HB3 LEU A 47 -5.993 -4.389 18.781 1.00 63.31 H new ATOM 0 HG LEU A 47 -7.937 -5.036 20.113 1.00 52.14 H new ATOM 0 HD11 LEU A 47 -6.795 -6.538 21.696 1.00 74.31 H new ATOM 0 HD12 LEU A 47 -5.970 -6.488 20.119 1.00 74.31 H new ATOM 0 HD13 LEU A 47 -5.298 -5.595 21.504 1.00 74.31 H new ATOM 0 HD21 LEU A 47 -8.012 -4.563 22.531 1.00 23.14 H new ATOM 0 HD22 LEU A 47 -6.564 -3.541 22.370 1.00 23.14 H new ATOM 0 HD23 LEU A 47 -8.079 -3.071 21.563 1.00 23.14 H new ATOM 599 N ASP A 48 -3.400 -4.760 21.208 1.00 41.50 N ATOM 600 CA ASP A 48 -2.311 -5.729 21.214 1.00 71.25 C ATOM 601 C ASP A 48 -2.511 -6.765 22.316 1.00 33.24 C ATOM 602 O ASP A 48 -2.399 -6.455 23.502 1.00 23.12 O ATOM 603 CB ASP A 48 -0.970 -5.019 21.402 1.00 32.02 C ATOM 604 CG ASP A 48 0.182 -5.991 21.567 1.00 43.31 C ATOM 605 OD1 ASP A 48 0.372 -6.844 20.675 1.00 51.05 O ATOM 606 OD2 ASP A 48 0.894 -5.898 22.590 1.00 20.21 O1- ATOM 0 H ASP A 48 -3.805 -4.576 22.126 1.00 41.50 H new ATOM 0 HA ASP A 48 -2.310 -6.243 20.253 1.00 71.25 H new ATOM 0 HB2 ASP A 48 -0.779 -4.376 20.543 1.00 32.02 H new ATOM 0 HB3 ASP A 48 -1.024 -4.372 22.278 1.00 32.02 H new ATOM 611 N GLY A 49 -2.808 -7.998 21.916 1.00 72.11 N ATOM 612 CA GLY A 49 -3.020 -9.060 22.882 1.00 24.54 C ATOM 613 C GLY A 49 -2.577 -10.413 22.362 1.00 64.54 C ATOM 614 O GLY A 49 -2.185 -10.541 21.202 1.00 62.11 O ATOM 0 H GLY A 49 -2.905 -8.280 20.941 1.00 72.11 H new ATOM 0 HA2 GLY A 49 -2.474 -8.829 23.797 1.00 24.54 H new ATOM 0 HA3 GLY A 49 -4.077 -9.103 23.144 1.00 24.54 H new ATOM 618 N GLU A 50 -2.639 -11.425 23.221 1.00 52.02 N ATOM 619 CA GLU A 50 -2.238 -12.775 22.842 1.00 15.21 C ATOM 620 C GLU A 50 -3.175 -13.341 21.778 1.00 31.01 C ATOM 621 O GLU A 50 -4.378 -13.080 21.792 1.00 61.11 O ATOM 622 CB GLU A 50 -2.228 -13.691 24.067 1.00 44.30 C ATOM 623 CG GLU A 50 -1.323 -14.902 23.914 1.00 60.44 C ATOM 624 CD GLU A 50 0.132 -14.521 23.713 1.00 1.31 C ATOM 625 OE1 GLU A 50 0.552 -13.480 24.260 1.00 3.43 O ATOM 626 OE2 GLU A 50 0.849 -15.264 23.010 1.00 43.11 O1- ATOM 0 H GLU A 50 -2.963 -11.336 24.184 1.00 52.02 H new ATOM 0 HA GLU A 50 -1.231 -12.725 22.427 1.00 15.21 H new ATOM 0 HB2 GLU A 50 -1.909 -13.117 24.937 1.00 44.30 H new ATOM 0 HB3 GLU A 50 -3.245 -14.030 24.265 1.00 44.30 H new ATOM 0 HG2 GLU A 50 -1.411 -15.531 24.800 1.00 60.44 H new ATOM 0 HG3 GLU A 50 -1.659 -15.498 23.065 1.00 60.44 H new ATOM 633 N TRP A 51 -2.613 -14.117 20.857 1.00 22.25 N ATOM 634 CA TRP A 51 -3.397 -14.719 19.786 1.00 3.53 C ATOM 635 C TRP A 51 -3.617 -16.206 20.042 1.00 52.30 C ATOM 636 O TRP A 51 -2.696 -16.922 20.438 1.00 43.35 O ATOM 637 CB TRP A 51 -2.698 -14.520 18.440 1.00 70.20 C ATOM 638 CG TRP A 51 -2.391 -13.083 18.137 1.00 11.21 C ATOM 639 CD1 TRP A 51 -1.244 -12.409 18.444 1.00 21.04 C ATOM 640 CD2 TRP A 51 -3.244 -12.147 17.471 1.00 24.13 C ATOM 641 NE1 TRP A 51 -1.333 -11.109 18.009 1.00 12.23 N ATOM 642 CE2 TRP A 51 -2.550 -10.923 17.408 1.00 72.44 C ATOM 643 CE3 TRP A 51 -4.526 -12.223 16.920 1.00 41.00 C ATOM 644 CZ2 TRP A 51 -3.096 -9.786 16.817 1.00 5.32 C ATOM 645 CZ3 TRP A 51 -5.067 -11.094 16.335 1.00 73.12 C ATOM 646 CH2 TRP A 51 -4.353 -9.890 16.285 1.00 32.25 C ATOM 0 H TRP A 51 -1.619 -14.343 20.831 1.00 22.25 H new ATOM 0 HA TRP A 51 -4.369 -14.226 19.760 1.00 3.53 H new ATOM 0 HB2 TRP A 51 -1.770 -15.092 18.432 1.00 70.20 H new ATOM 0 HB3 TRP A 51 -3.328 -14.924 17.648 1.00 70.20 H new ATOM 0 HD1 TRP A 51 -0.392 -12.835 18.954 1.00 21.04 H new ATOM 0 HE1 TRP A 51 -0.610 -10.397 18.116 1.00 12.23 H new ATOM 0 HE3 TRP A 51 -5.084 -13.147 16.951 1.00 41.00 H new ATOM 0 HZ2 TRP A 51 -2.548 -8.856 16.780 1.00 5.32 H new ATOM 0 HZ3 TRP A 51 -6.058 -11.141 15.909 1.00 73.12 H new ATOM 0 HH2 TRP A 51 -4.803 -9.027 15.818 1.00 32.25 H new ATOM 657 N THR A 52 -4.842 -16.667 19.812 1.00 25.31 N ATOM 658 CA THR A 52 -5.183 -18.070 20.020 1.00 32.12 C ATOM 659 C THR A 52 -5.476 -18.766 18.695 1.00 23.50 C ATOM 660 O THR A 52 -5.954 -18.142 17.747 1.00 42.31 O ATOM 661 CB THR A 52 -6.403 -18.220 20.948 1.00 43.23 C ATOM 662 OG1 THR A 52 -7.339 -17.163 20.702 1.00 31.45 O ATOM 663 CG2 THR A 52 -5.980 -18.200 22.408 1.00 51.40 C ATOM 0 H THR A 52 -5.615 -16.090 19.482 1.00 25.31 H new ATOM 0 HA THR A 52 -4.319 -18.540 20.491 1.00 32.12 H new ATOM 0 HB THR A 52 -6.875 -19.180 20.737 1.00 43.23 H new ATOM 0 HG1 THR A 52 -7.712 -16.852 21.553 1.00 31.45 H new ATOM 0 HG21 THR A 52 -6.859 -18.307 23.043 1.00 51.40 H new ATOM 0 HG22 THR A 52 -5.292 -19.023 22.599 1.00 51.40 H new ATOM 0 HG23 THR A 52 -5.485 -17.255 22.631 1.00 51.40 H new ATOM 671 N TYR A 53 -5.187 -20.061 18.637 1.00 31.12 N ATOM 672 CA TYR A 53 -5.418 -20.841 17.427 1.00 61.23 C ATOM 673 C TYR A 53 -6.143 -22.145 17.751 1.00 61.54 C ATOM 674 O TYR A 53 -5.832 -22.812 18.737 1.00 61.35 O ATOM 675 CB TYR A 53 -4.091 -21.141 16.728 1.00 72.30 C ATOM 676 CG TYR A 53 -3.184 -19.938 16.608 1.00 22.11 C ATOM 677 CD1 TYR A 53 -3.646 -18.748 16.061 1.00 3.50 C ATOM 678 CD2 TYR A 53 -1.865 -19.993 17.041 1.00 13.20 C ATOM 679 CE1 TYR A 53 -2.820 -17.645 15.949 1.00 0.53 C ATOM 680 CE2 TYR A 53 -1.033 -18.895 16.935 1.00 32.52 C ATOM 681 CZ TYR A 53 -1.514 -17.724 16.388 1.00 34.41 C ATOM 682 OH TYR A 53 -0.689 -16.629 16.278 1.00 61.53 O ATOM 0 H TYR A 53 -4.793 -20.593 19.413 1.00 31.12 H new ATOM 0 HA TYR A 53 -6.047 -20.253 16.759 1.00 61.23 H new ATOM 0 HB2 TYR A 53 -3.570 -21.925 17.277 1.00 72.30 H new ATOM 0 HB3 TYR A 53 -4.295 -21.532 15.731 1.00 72.30 H new ATOM 0 HD1 TYR A 53 -4.668 -18.683 15.717 1.00 3.50 H new ATOM 0 HD2 TYR A 53 -1.484 -20.909 17.467 1.00 13.20 H new ATOM 0 HE1 TYR A 53 -3.195 -16.727 15.521 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -0.011 -18.954 17.279 1.00 32.52 H new ATOM 0 HH TYR A 53 -1.223 -15.810 16.340 1.00 61.53 H new ATOM 692 N ASP A 54 -7.108 -22.501 16.911 1.00 22.23 N ATOM 693 CA ASP A 54 -7.877 -23.725 17.105 1.00 11.23 C ATOM 694 C ASP A 54 -8.059 -24.467 15.784 1.00 75.11 C ATOM 695 O ASP A 54 -8.738 -23.983 14.878 1.00 25.21 O ATOM 696 CB ASP A 54 -9.241 -23.405 17.717 1.00 12.50 C ATOM 697 CG ASP A 54 -9.126 -22.757 19.083 1.00 24.30 C ATOM 698 OD1 ASP A 54 -9.713 -21.672 19.277 1.00 51.42 O ATOM 699 OD2 ASP A 54 -8.448 -23.337 19.958 1.00 52.31 O1- ATOM 0 H ASP A 54 -7.377 -21.960 16.089 1.00 22.23 H new ATOM 0 HA ASP A 54 -7.323 -24.368 17.789 1.00 11.23 H new ATOM 0 HB2 ASP A 54 -9.789 -22.741 17.048 1.00 12.50 H new ATOM 0 HB3 ASP A 54 -9.822 -24.323 17.802 1.00 12.50 H new ATOM 704 N ASP A 55 -7.449 -25.642 15.682 1.00 61.14 N ATOM 705 CA ASP A 55 -7.544 -26.451 14.473 1.00 15.41 C ATOM 706 C ASP A 55 -8.862 -27.217 14.433 1.00 54.22 C ATOM 707 O ASP A 55 -9.377 -27.533 13.360 1.00 53.13 O ATOM 708 CB ASP A 55 -6.369 -27.428 14.393 1.00 72.40 C ATOM 709 CG ASP A 55 -5.571 -27.271 13.114 1.00 40.24 C ATOM 710 OD1 ASP A 55 -4.483 -26.661 13.165 1.00 60.04 O ATOM 711 OD2 ASP A 55 -6.034 -27.758 12.062 1.00 31.01 O1- ATOM 0 H ASP A 55 -6.883 -26.056 16.423 1.00 61.14 H new ATOM 0 HA ASP A 55 -7.508 -25.781 13.614 1.00 15.41 H new ATOM 0 HB2 ASP A 55 -5.712 -27.272 15.249 1.00 72.40 H new ATOM 0 HB3 ASP A 55 -6.744 -28.449 14.461 1.00 72.40 H new ATOM 716 N ALA A 56 -9.405 -27.513 15.610 1.00 41.02 N ATOM 717 CA ALA A 56 -10.664 -28.240 15.709 1.00 35.42 C ATOM 718 C ALA A 56 -11.846 -27.343 15.358 1.00 70.40 C ATOM 719 O ALA A 56 -12.756 -27.750 14.635 1.00 45.11 O ATOM 720 CB ALA A 56 -10.832 -28.815 17.108 1.00 42.53 C ATOM 0 H ALA A 56 -8.992 -27.260 16.508 1.00 41.02 H new ATOM 0 HA ALA A 56 -10.639 -29.060 14.991 1.00 35.42 H new ATOM 0 HB1 ALA A 56 -11.777 -29.356 17.168 1.00 42.53 H new ATOM 0 HB2 ALA A 56 -10.009 -29.497 17.322 1.00 42.53 H new ATOM 0 HB3 ALA A 56 -10.831 -28.005 17.837 1.00 42.53 H new ATOM 726 N THR A 57 -11.829 -26.119 15.877 1.00 30.04 N ATOM 727 CA THR A 57 -12.899 -25.164 15.621 1.00 23.02 C ATOM 728 C THR A 57 -12.618 -24.346 14.365 1.00 43.21 C ATOM 729 O THR A 57 -13.529 -23.778 13.765 1.00 51.43 O ATOM 730 CB THR A 57 -13.095 -24.206 16.810 1.00 64.35 C ATOM 731 OG1 THR A 57 -12.016 -23.267 16.866 1.00 15.34 O ATOM 732 CG2 THR A 57 -13.171 -24.978 18.119 1.00 2.22 C ATOM 0 H THR A 57 -11.084 -25.766 16.478 1.00 30.04 H new ATOM 0 HA THR A 57 -13.811 -25.744 15.478 1.00 23.02 H new ATOM 0 HB THR A 57 -14.034 -23.671 16.667 1.00 64.35 H new ATOM 0 HG1 THR A 57 -12.149 -22.660 17.624 1.00 15.34 H new ATOM 0 HG21 THR A 57 -13.310 -24.281 18.945 1.00 2.22 H new ATOM 0 HG22 THR A 57 -14.011 -25.671 18.084 1.00 2.22 H new ATOM 0 HG23 THR A 57 -12.246 -25.536 18.267 1.00 2.22 H new ATOM 740 N LYS A 58 -11.349 -24.292 13.972 1.00 5.52 N ATOM 741 CA LYS A 58 -10.947 -23.545 12.787 1.00 43.24 C ATOM 742 C LYS A 58 -11.337 -22.075 12.911 1.00 1.52 C ATOM 743 O LYS A 58 -11.825 -21.469 11.957 1.00 61.54 O ATOM 744 CB LYS A 58 -11.588 -24.150 11.536 1.00 22.53 C ATOM 745 CG LYS A 58 -11.110 -25.559 11.228 1.00 4.02 C ATOM 746 CD LYS A 58 -11.950 -26.602 11.944 1.00 42.13 C ATOM 747 CE LYS A 58 -11.958 -27.923 11.192 1.00 42.34 C ATOM 748 NZ LYS A 58 -10.582 -28.457 10.992 1.00 70.32 N1+ ATOM 0 H LYS A 58 -10.582 -24.757 14.458 1.00 5.52 H new ATOM 0 HA LYS A 58 -9.862 -23.608 12.699 1.00 43.24 H new ATOM 0 HB2 LYS A 58 -12.671 -24.162 11.662 1.00 22.53 H new ATOM 0 HB3 LYS A 58 -11.374 -23.508 10.682 1.00 22.53 H new ATOM 0 HG2 LYS A 58 -11.153 -25.732 10.153 1.00 4.02 H new ATOM 0 HG3 LYS A 58 -10.067 -25.664 11.526 1.00 4.02 H new ATOM 0 HD2 LYS A 58 -11.560 -26.757 12.950 1.00 42.13 H new ATOM 0 HD3 LYS A 58 -12.971 -26.237 12.051 1.00 42.13 H new ATOM 0 HE2 LYS A 58 -12.553 -28.651 11.743 1.00 42.34 H new ATOM 0 HE3 LYS A 58 -12.439 -27.786 10.223 1.00 42.34 H new ATOM 0 HZ1 LYS A 58 -10.620 -29.493 10.913 1.00 70.32 H new ATOM 0 HZ2 LYS A 58 -10.178 -28.058 10.121 1.00 70.32 H new ATOM 0 HZ3 LYS A 58 -9.986 -28.193 11.803 1.00 70.32 H new ATOM 762 N THR A 59 -11.117 -21.508 14.092 1.00 13.45 N ATOM 763 CA THR A 59 -11.445 -20.109 14.341 1.00 21.01 C ATOM 764 C THR A 59 -10.319 -19.404 15.088 1.00 11.23 C ATOM 765 O THR A 59 -9.602 -20.021 15.877 1.00 63.41 O ATOM 766 CB THR A 59 -12.747 -19.973 15.152 1.00 70.22 C ATOM 767 OG1 THR A 59 -13.781 -20.766 14.556 1.00 72.43 O ATOM 768 CG2 THR A 59 -13.192 -18.520 15.222 1.00 64.22 C ATOM 0 H THR A 59 -10.713 -21.995 14.892 1.00 13.45 H new ATOM 0 HA THR A 59 -11.581 -19.639 13.367 1.00 21.01 H new ATOM 0 HB THR A 59 -12.556 -20.327 16.165 1.00 70.22 H new ATOM 0 HG1 THR A 59 -14.605 -20.675 15.079 1.00 72.43 H new ATOM 0 HG21 THR A 59 -14.114 -18.449 15.800 1.00 64.22 H new ATOM 0 HG22 THR A 59 -12.416 -17.924 15.703 1.00 64.22 H new ATOM 0 HG23 THR A 59 -13.366 -18.144 14.214 1.00 64.22 H new ATOM 776 N PHE A 60 -10.167 -18.109 14.835 1.00 40.21 N ATOM 777 CA PHE A 60 -9.126 -17.320 15.484 1.00 72.32 C ATOM 778 C PHE A 60 -9.730 -16.341 16.486 1.00 20.51 C ATOM 779 O PHE A 60 -10.870 -15.898 16.330 1.00 43.12 O ATOM 780 CB PHE A 60 -8.308 -16.557 14.440 1.00 21.54 C ATOM 781 CG PHE A 60 -7.247 -17.391 13.782 1.00 54.41 C ATOM 782 CD1 PHE A 60 -7.579 -18.559 13.116 1.00 24.42 C ATOM 783 CD2 PHE A 60 -5.916 -17.009 13.834 1.00 32.55 C ATOM 784 CE1 PHE A 60 -6.605 -19.330 12.509 1.00 25.12 C ATOM 785 CE2 PHE A 60 -4.937 -17.776 13.229 1.00 70.10 C ATOM 786 CZ PHE A 60 -5.281 -18.938 12.568 1.00 54.13 C ATOM 0 H PHE A 60 -10.751 -17.583 14.185 1.00 40.21 H new ATOM 0 HA PHE A 60 -8.469 -18.004 16.021 1.00 72.32 H new ATOM 0 HB2 PHE A 60 -8.981 -16.170 13.675 1.00 21.54 H new ATOM 0 HB3 PHE A 60 -7.839 -15.696 14.916 1.00 21.54 H new ATOM 0 HD1 PHE A 60 -8.612 -18.872 13.070 1.00 24.42 H new ATOM 0 HD2 PHE A 60 -5.640 -16.103 14.353 1.00 32.55 H new ATOM 0 HE1 PHE A 60 -6.878 -20.237 11.990 1.00 25.12 H new ATOM 0 HE2 PHE A 60 -3.903 -17.466 13.274 1.00 70.10 H new ATOM 0 HZ PHE A 60 -4.517 -19.540 12.098 1.00 54.13 H new ATOM 796 N THR A 61 -8.961 -16.008 17.518 1.00 13.13 N ATOM 797 CA THR A 61 -9.420 -15.084 18.547 1.00 24.22 C ATOM 798 C THR A 61 -8.254 -14.308 19.149 1.00 31.40 C ATOM 799 O THR A 61 -7.093 -14.684 18.980 1.00 13.31 O ATOM 800 CB THR A 61 -10.166 -15.824 19.674 1.00 2.14 C ATOM 801 OG1 THR A 61 -10.859 -16.957 19.140 1.00 63.12 O ATOM 802 CG2 THR A 61 -11.155 -14.898 20.365 1.00 33.02 C ATOM 0 H THR A 61 -8.017 -16.365 17.663 1.00 13.13 H new ATOM 0 HA THR A 61 -10.105 -14.388 18.064 1.00 24.22 H new ATOM 0 HB THR A 61 -9.433 -16.160 20.407 1.00 2.14 H new ATOM 0 HG1 THR A 61 -11.329 -17.423 19.862 1.00 63.12 H new ATOM 0 HG21 THR A 61 -11.670 -15.442 21.157 1.00 33.02 H new ATOM 0 HG22 THR A 61 -10.621 -14.051 20.795 1.00 33.02 H new ATOM 0 HG23 THR A 61 -11.884 -14.537 19.639 1.00 33.02 H new ATOM 810 N ILE A 62 -8.569 -13.226 19.853 1.00 1.52 N ATOM 811 CA ILE A 62 -7.546 -12.400 20.482 1.00 70.34 C ATOM 812 C ILE A 62 -8.017 -11.878 21.835 1.00 43.52 C ATOM 813 O ILE A 62 -9.101 -11.304 21.951 1.00 0.25 O ATOM 814 CB ILE A 62 -7.162 -11.205 19.589 1.00 1.43 C ATOM 815 CG1 ILE A 62 -6.070 -10.369 20.262 1.00 62.02 C ATOM 816 CG2 ILE A 62 -8.384 -10.349 19.292 1.00 21.42 C ATOM 817 CD1 ILE A 62 -5.486 -9.303 19.362 1.00 54.41 C ATOM 0 H ILE A 62 -9.524 -12.901 20.002 1.00 1.52 H new ATOM 0 HA ILE A 62 -6.671 -13.034 20.624 1.00 70.34 H new ATOM 0 HB ILE A 62 -6.773 -11.586 18.645 1.00 1.43 H new ATOM 0 HG12 ILE A 62 -6.483 -9.895 21.152 1.00 62.02 H new ATOM 0 HG13 ILE A 62 -5.270 -11.031 20.595 1.00 62.02 H new ATOM 0 HG21 ILE A 62 -8.095 -9.509 18.660 1.00 21.42 H new ATOM 0 HG22 ILE A 62 -9.133 -10.950 18.776 1.00 21.42 H new ATOM 0 HG23 ILE A 62 -8.801 -9.973 20.226 1.00 21.42 H new ATOM 0 HD11 ILE A 62 -4.719 -8.750 19.904 1.00 54.41 H new ATOM 0 HD12 ILE A 62 -5.043 -9.771 18.483 1.00 54.41 H new ATOM 0 HD13 ILE A 62 -6.275 -8.619 19.050 1.00 54.41 H new ATOM 829 N THR A 63 -7.194 -12.079 22.859 1.00 50.32 N ATOM 830 CA THR A 63 -7.525 -11.629 24.206 1.00 71.11 C ATOM 831 C THR A 63 -6.579 -10.524 24.664 1.00 75.02 C ATOM 832 O THR A 63 -5.375 -10.743 24.801 1.00 71.14 O ATOM 833 CB THR A 63 -7.468 -12.790 25.216 1.00 34.12 C ATOM 834 OG1 THR A 63 -6.456 -13.727 24.831 1.00 3.13 O ATOM 835 CG2 THR A 63 -8.812 -13.497 25.304 1.00 12.23 C ATOM 0 H THR A 63 -6.293 -12.551 22.782 1.00 50.32 H new ATOM 0 HA THR A 63 -8.543 -11.240 24.169 1.00 71.11 H new ATOM 0 HB THR A 63 -7.226 -12.377 26.196 1.00 34.12 H new ATOM 0 HG1 THR A 63 -6.426 -14.461 25.480 1.00 3.13 H new ATOM 0 HG21 THR A 63 -8.747 -14.313 26.023 1.00 12.23 H new ATOM 0 HG22 THR A 63 -9.575 -12.789 25.626 1.00 12.23 H new ATOM 0 HG23 THR A 63 -9.078 -13.896 24.325 1.00 12.23 H new ATOM 843 N GLU A 64 -7.131 -9.339 24.901 1.00 0.03 N ATOM 844 CA GLU A 64 -6.335 -8.200 25.344 1.00 64.34 C ATOM 845 C GLU A 64 -6.496 -7.976 26.845 1.00 63.24 C ATOM 846 O GLU A 64 -7.067 -6.973 27.274 1.00 41.45 O ATOM 847 CB GLU A 64 -6.740 -6.938 24.581 1.00 40.12 C ATOM 848 CG GLU A 64 -5.631 -5.904 24.482 1.00 63.30 C ATOM 849 CD GLU A 64 -5.045 -5.546 25.833 1.00 22.21 C ATOM 850 OE1 GLU A 64 -5.626 -4.682 26.521 1.00 64.13 O ATOM 851 OE2 GLU A 64 -4.005 -6.129 26.203 1.00 35.24 O1- ATOM 0 H GLU A 64 -8.126 -9.142 24.794 1.00 0.03 H new ATOM 0 HA GLU A 64 -5.287 -8.418 25.137 1.00 64.34 H new ATOM 0 HB2 GLU A 64 -7.056 -7.217 23.576 1.00 40.12 H new ATOM 0 HB3 GLU A 64 -7.602 -6.488 25.072 1.00 40.12 H new ATOM 0 HG2 GLU A 64 -4.840 -6.286 23.837 1.00 63.30 H new ATOM 0 HG3 GLU A 64 -6.021 -5.003 24.009 1.00 63.30 H new