USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 542 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+ 141:sc= 0.27 (180deg=-0.651!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0911 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 16 ASN : amide:sc=-0.00423 K(o=-0.0042,f=-0.78) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.02 F(o=-2.1!,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= 1.15 (180deg=-0.443!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 SER OG : rot 16:sc= 0.765 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.16 K(o=1.2,f=-0.18) USER MOD Single : A 53 GLN : amide:sc=-0.00629 X(o=-0.0063,f=-0.11) USER MOD Single : A 56 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.29) USER MOD Single : A 62 HIS : no HE2:sc= 0.48 K(o=0.48,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.0583) USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.499 -9.493 -10.350 1.00 5.66 N ATOM 2 CA MET A 1 -15.356 -8.985 -11.729 1.00 5.82 C ATOM 3 C MET A 1 -14.865 -7.534 -11.691 1.00 6.02 C ATOM 4 O MET A 1 -15.510 -6.639 -12.233 1.00 7.34 O ATOM 5 CB MET A 1 -16.650 -9.103 -12.551 1.00 7.10 C ATOM 6 CG MET A 1 -17.258 -10.508 -12.623 1.00 7.14 C ATOM 7 SD MET A 1 -18.363 -10.715 -14.046 1.00 9.08 S ATOM 8 CE MET A 1 -19.240 -12.223 -13.582 1.00 9.18 C ATOM 0 H1 MET A 1 -16.350 -10.088 -10.286 1.00 5.66 H new ATOM 0 H2 MET A 1 -14.662 -10.058 -10.100 1.00 5.66 H new ATOM 0 H3 MET A 1 -15.586 -8.692 -9.692 1.00 5.66 H new ATOM 0 HA MET A 1 -14.620 -9.611 -12.234 1.00 5.82 H new ATOM 0 HB2 MET A 1 -17.392 -8.426 -12.128 1.00 7.10 H new ATOM 0 HB3 MET A 1 -16.448 -8.761 -13.566 1.00 7.10 H new ATOM 0 HG2 MET A 1 -16.457 -11.245 -12.679 1.00 7.14 H new ATOM 0 HG3 MET A 1 -17.811 -10.708 -11.705 1.00 7.14 H new ATOM 0 HE1 MET A 1 -19.958 -12.481 -14.361 1.00 9.18 H new ATOM 0 HE2 MET A 1 -18.525 -13.038 -13.463 1.00 9.18 H new ATOM 0 HE3 MET A 1 -19.767 -12.063 -12.641 1.00 9.18 H new ATOM 20 N ALA A 2 -13.750 -7.295 -11.004 1.00 5.18 N ATOM 21 CA ALA A 2 -13.182 -5.973 -10.776 1.00 5.55 C ATOM 22 C ALA A 2 -11.829 -6.123 -10.086 1.00 4.15 C ATOM 23 O ALA A 2 -10.836 -5.591 -10.575 1.00 5.06 O ATOM 24 CB ALA A 2 -14.123 -5.100 -9.934 1.00 6.65 C ATOM 0 H ALA A 2 -13.201 -8.042 -10.578 1.00 5.18 H new ATOM 0 HA ALA A 2 -13.050 -5.476 -11.737 1.00 5.55 H new ATOM 0 HB1 ALA A 2 -13.671 -4.120 -9.781 1.00 6.65 H new ATOM 0 HB2 ALA A 2 -15.074 -4.984 -10.454 1.00 6.65 H new ATOM 0 HB3 ALA A 2 -14.293 -5.575 -8.968 1.00 6.65 H new ATOM 30 N GLU A 3 -11.810 -6.850 -8.961 1.00 2.62 N ATOM 31 CA GLU A 3 -10.611 -7.347 -8.295 1.00 1.47 C ATOM 32 C GLU A 3 -9.566 -6.237 -8.115 1.00 1.43 C ATOM 33 O GLU A 3 -8.360 -6.406 -8.325 1.00 1.90 O ATOM 34 CB GLU A 3 -10.138 -8.621 -9.011 1.00 2.89 C ATOM 35 CG GLU A 3 -11.088 -9.812 -8.744 1.00 3.29 C ATOM 36 CD GLU A 3 -12.534 -9.570 -9.156 1.00 3.80 C ATOM 37 OE1 GLU A 3 -12.890 -9.805 -10.327 1.00 4.60 O ATOM 38 OE2 GLU A 3 -13.335 -9.001 -8.385 1.00 4.10 O ATOM 0 H GLU A 3 -12.667 -7.116 -8.475 1.00 2.62 H new ATOM 0 HA GLU A 3 -10.824 -7.646 -7.269 1.00 1.47 H new ATOM 0 HB2 GLU A 3 -10.079 -8.435 -10.083 1.00 2.89 H new ATOM 0 HB3 GLU A 3 -9.132 -8.875 -8.676 1.00 2.89 H new ATOM 0 HG2 GLU A 3 -10.713 -10.686 -9.276 1.00 3.29 H new ATOM 0 HG3 GLU A 3 -11.061 -10.051 -7.681 1.00 3.29 H new ATOM 45 N LYS A 4 -10.092 -5.094 -7.672 1.00 1.11 N ATOM 46 CA LYS A 4 -9.397 -3.870 -7.350 1.00 1.05 C ATOM 47 C LYS A 4 -10.002 -3.377 -6.046 1.00 0.96 C ATOM 48 O LYS A 4 -11.201 -3.556 -5.823 1.00 1.01 O ATOM 49 CB LYS A 4 -9.560 -2.858 -8.495 1.00 1.19 C ATOM 50 CG LYS A 4 -11.011 -2.399 -8.710 1.00 1.39 C ATOM 51 CD LYS A 4 -11.129 -1.652 -10.044 1.00 1.99 C ATOM 52 CE LYS A 4 -12.514 -1.002 -10.183 1.00 2.42 C ATOM 53 NZ LYS A 4 -12.695 -0.362 -11.503 1.00 3.81 N ATOM 0 H LYS A 4 -11.097 -5.005 -7.521 1.00 1.11 H new ATOM 0 HA LYS A 4 -8.324 -4.017 -7.230 1.00 1.05 H new ATOM 0 HB2 LYS A 4 -8.939 -1.986 -8.289 1.00 1.19 H new ATOM 0 HB3 LYS A 4 -9.188 -3.303 -9.418 1.00 1.19 H new ATOM 0 HG2 LYS A 4 -11.679 -3.260 -8.705 1.00 1.39 H new ATOM 0 HG3 LYS A 4 -11.322 -1.750 -7.891 1.00 1.39 H new ATOM 0 HD2 LYS A 4 -10.355 -0.887 -10.108 1.00 1.99 H new ATOM 0 HD3 LYS A 4 -10.962 -2.344 -10.870 1.00 1.99 H new ATOM 0 HE2 LYS A 4 -13.286 -1.758 -10.038 1.00 2.42 H new ATOM 0 HE3 LYS A 4 -12.646 -0.257 -9.398 1.00 2.42 H new ATOM 0 HZ1 LYS A 4 -13.642 0.064 -11.555 1.00 3.81 H new ATOM 0 HZ2 LYS A 4 -11.975 0.377 -11.632 1.00 3.81 H new ATOM 0 HZ3 LYS A 4 -12.595 -1.077 -12.252 1.00 3.81 H new ATOM 67 N THR A 5 -9.206 -2.788 -5.160 1.00 0.83 N ATOM 68 CA THR A 5 -9.694 -2.269 -3.897 1.00 0.74 C ATOM 69 C THR A 5 -8.776 -1.145 -3.534 1.00 0.64 C ATOM 70 O THR A 5 -7.620 -1.135 -3.959 1.00 0.67 O ATOM 71 CB THR A 5 -9.675 -3.353 -2.807 1.00 0.74 C ATOM 72 OG1 THR A 5 -10.545 -4.350 -3.247 1.00 0.88 O ATOM 73 CG2 THR A 5 -10.193 -2.869 -1.447 1.00 0.72 C ATOM 0 H THR A 5 -8.204 -2.659 -5.302 1.00 0.83 H new ATOM 0 HA THR A 5 -10.728 -1.934 -3.984 1.00 0.74 H new ATOM 0 HB THR A 5 -8.644 -3.676 -2.661 1.00 0.74 H new ATOM 0 HG1 THR A 5 -10.573 -5.074 -2.588 1.00 0.88 H new ATOM 0 HG21 THR A 5 -10.150 -3.688 -0.729 1.00 0.72 H new ATOM 0 HG22 THR A 5 -9.574 -2.044 -1.095 1.00 0.72 H new ATOM 0 HG23 THR A 5 -11.224 -2.531 -1.550 1.00 0.72 H new ATOM 81 N VAL A 6 -9.291 -0.216 -2.741 1.00 0.58 N ATOM 82 CA VAL A 6 -8.471 0.780 -2.139 1.00 0.48 C ATOM 83 C VAL A 6 -8.778 0.873 -0.657 1.00 0.38 C ATOM 84 O VAL A 6 -9.930 0.757 -0.253 1.00 0.49 O ATOM 85 CB VAL A 6 -8.601 2.075 -2.947 1.00 0.55 C ATOM 86 CG1 VAL A 6 -10.039 2.494 -3.256 1.00 0.66 C ATOM 87 CG2 VAL A 6 -7.878 3.249 -2.293 1.00 0.53 C ATOM 0 H VAL A 6 -10.282 -0.146 -2.509 1.00 0.58 H new ATOM 0 HA VAL A 6 -7.412 0.526 -2.172 1.00 0.48 H new ATOM 0 HB VAL A 6 -8.122 1.826 -3.894 1.00 0.55 H new ATOM 0 HG11 VAL A 6 -10.033 3.420 -3.831 1.00 0.66 H new ATOM 0 HG12 VAL A 6 -10.530 1.711 -3.835 1.00 0.66 H new ATOM 0 HG13 VAL A 6 -10.581 2.649 -2.323 1.00 0.66 H new ATOM 0 HG21 VAL A 6 -8.003 4.141 -2.907 1.00 0.53 H new ATOM 0 HG22 VAL A 6 -8.297 3.429 -1.303 1.00 0.53 H new ATOM 0 HG23 VAL A 6 -6.817 3.017 -2.201 1.00 0.53 H new ATOM 97 N TYR A 7 -7.716 0.998 0.139 1.00 0.25 N ATOM 98 CA TYR A 7 -7.772 1.047 1.587 1.00 0.20 C ATOM 99 C TYR A 7 -7.256 2.425 1.995 1.00 0.19 C ATOM 100 O TYR A 7 -6.461 3.020 1.268 1.00 0.26 O ATOM 101 CB TYR A 7 -6.917 -0.082 2.183 1.00 0.19 C ATOM 102 CG TYR A 7 -7.186 -1.481 1.653 1.00 0.25 C ATOM 103 CD1 TYR A 7 -6.739 -1.863 0.371 1.00 1.82 C ATOM 104 CD2 TYR A 7 -7.756 -2.450 2.499 1.00 1.60 C ATOM 105 CE1 TYR A 7 -6.988 -3.161 -0.107 1.00 1.88 C ATOM 106 CE2 TYR A 7 -7.996 -3.750 2.025 1.00 1.56 C ATOM 107 CZ TYR A 7 -7.649 -4.093 0.710 1.00 0.44 C ATOM 108 OH TYR A 7 -7.845 -5.369 0.279 1.00 0.62 O ATOM 0 H TYR A 7 -6.766 1.070 -0.225 1.00 0.25 H new ATOM 0 HA TYR A 7 -8.786 0.902 1.960 1.00 0.20 H new ATOM 0 HB2 TYR A 7 -5.867 0.154 2.008 1.00 0.19 H new ATOM 0 HB3 TYR A 7 -7.066 -0.091 3.263 1.00 0.19 H new ATOM 0 HD1 TYR A 7 -6.204 -1.156 -0.245 1.00 1.82 H new ATOM 0 HD2 TYR A 7 -8.010 -2.193 3.517 1.00 1.60 H new ATOM 0 HE1 TYR A 7 -6.672 -3.441 -1.101 1.00 1.88 H new ATOM 0 HE2 TYR A 7 -8.448 -4.486 2.673 1.00 1.56 H new ATOM 0 HH TYR A 7 -8.317 -5.879 0.970 1.00 0.62 H new ATOM 118 N ARG A 8 -7.714 2.959 3.126 1.00 0.22 N ATOM 119 CA ARG A 8 -7.312 4.290 3.570 1.00 0.31 C ATOM 120 C ARG A 8 -6.036 4.138 4.393 1.00 0.26 C ATOM 121 O ARG A 8 -6.022 3.278 5.268 1.00 0.30 O ATOM 122 CB ARG A 8 -8.443 4.901 4.416 1.00 0.49 C ATOM 123 CG ARG A 8 -8.844 6.288 3.904 1.00 0.80 C ATOM 124 CD ARG A 8 -9.870 6.968 4.823 1.00 1.22 C ATOM 125 NE ARG A 8 -11.165 6.260 4.855 1.00 2.52 N ATOM 126 CZ ARG A 8 -11.582 5.390 5.793 1.00 4.04 C ATOM 127 NH1 ARG A 8 -10.746 4.975 6.752 1.00 4.65 N ATOM 128 NH2 ARG A 8 -12.842 4.939 5.769 1.00 5.55 N ATOM 0 H ARG A 8 -8.366 2.487 3.753 1.00 0.22 H new ATOM 0 HA ARG A 8 -7.124 4.952 2.725 1.00 0.31 H new ATOM 0 HB2 ARG A 8 -9.310 4.241 4.397 1.00 0.49 H new ATOM 0 HB3 ARG A 8 -8.122 4.975 5.455 1.00 0.49 H new ATOM 0 HG2 ARG A 8 -7.956 6.916 3.825 1.00 0.80 H new ATOM 0 HG3 ARG A 8 -9.260 6.197 2.901 1.00 0.80 H new ATOM 0 HD2 ARG A 8 -9.466 7.023 5.834 1.00 1.22 H new ATOM 0 HD3 ARG A 8 -10.029 7.993 4.487 1.00 1.22 H new ATOM 0 HE ARG A 8 -11.810 6.450 4.088 1.00 2.52 H new ATOM 0 HH11 ARG A 8 -9.786 5.318 6.775 1.00 4.65 H new ATOM 0 HH12 ARG A 8 -11.069 4.315 7.460 1.00 4.65 H new ATOM 0 HH21 ARG A 8 -13.483 5.255 5.041 1.00 5.55 H new ATOM 0 HH22 ARG A 8 -13.161 4.279 6.479 1.00 5.55 H new ATOM 142 N VAL A 9 -4.991 4.936 4.148 1.00 0.36 N ATOM 143 CA VAL A 9 -3.737 4.848 4.896 1.00 0.37 C ATOM 144 C VAL A 9 -3.380 6.209 5.473 1.00 0.35 C ATOM 145 O VAL A 9 -3.693 7.229 4.858 1.00 0.46 O ATOM 146 CB VAL A 9 -2.602 4.273 4.032 1.00 0.41 C ATOM 147 CG1 VAL A 9 -2.330 5.061 2.744 1.00 0.37 C ATOM 148 CG2 VAL A 9 -1.308 4.175 4.841 1.00 0.64 C ATOM 0 H VAL A 9 -4.993 5.658 3.428 1.00 0.36 H new ATOM 0 HA VAL A 9 -3.875 4.154 5.725 1.00 0.37 H new ATOM 0 HB VAL A 9 -2.945 3.283 3.730 1.00 0.41 H new ATOM 0 HG11 VAL A 9 -1.516 4.589 2.194 1.00 0.37 H new ATOM 0 HG12 VAL A 9 -3.228 5.070 2.126 1.00 0.37 H new ATOM 0 HG13 VAL A 9 -2.052 6.085 2.995 1.00 0.37 H new ATOM 0 HG21 VAL A 9 -0.516 3.766 4.213 1.00 0.64 H new ATOM 0 HG22 VAL A 9 -1.020 5.167 5.188 1.00 0.64 H new ATOM 0 HG23 VAL A 9 -1.464 3.522 5.699 1.00 0.64 H new ATOM 158 N ASP A 10 -2.729 6.219 6.644 1.00 0.34 N ATOM 159 CA ASP A 10 -2.329 7.451 7.301 1.00 0.38 C ATOM 160 C ASP A 10 -0.950 7.255 7.929 1.00 0.42 C ATOM 161 O ASP A 10 -0.611 6.136 8.319 1.00 0.43 O ATOM 162 CB ASP A 10 -3.350 7.789 8.385 1.00 0.48 C ATOM 163 CG ASP A 10 -3.030 9.094 9.081 1.00 1.66 C ATOM 164 OD1 ASP A 10 -2.416 9.966 8.436 1.00 2.37 O ATOM 165 OD2 ASP A 10 -3.332 9.129 10.295 1.00 2.84 O ATOM 0 H ASP A 10 -2.470 5.374 7.153 1.00 0.34 H new ATOM 0 HA ASP A 10 -2.284 8.266 6.579 1.00 0.38 H new ATOM 0 HB2 ASP A 10 -4.343 7.850 7.941 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -3.378 6.984 9.120 1.00 0.48 H new ATOM 170 N GLY A 11 -0.191 8.346 8.049 1.00 0.68 N ATOM 171 CA GLY A 11 1.097 8.402 8.719 1.00 0.83 C ATOM 172 C GLY A 11 2.157 9.019 7.812 1.00 1.07 C ATOM 173 O GLY A 11 2.513 10.185 7.968 1.00 1.92 O ATOM 0 H GLY A 11 -0.474 9.247 7.665 1.00 0.68 H new ATOM 0 HA2 GLY A 11 1.010 8.988 9.634 1.00 0.83 H new ATOM 0 HA3 GLY A 11 1.403 7.398 9.012 1.00 0.83 H new ATOM 177 N LEU A 12 2.696 8.226 6.884 1.00 0.83 N ATOM 178 CA LEU A 12 3.849 8.653 6.096 1.00 0.89 C ATOM 179 C LEU A 12 3.437 9.698 5.063 1.00 1.20 C ATOM 180 O LEU A 12 2.308 9.689 4.562 1.00 1.73 O ATOM 181 CB LEU A 12 4.622 7.471 5.479 1.00 1.07 C ATOM 182 CG LEU A 12 4.046 6.908 4.165 1.00 1.54 C ATOM 183 CD1 LEU A 12 4.433 7.734 2.924 1.00 2.87 C ATOM 184 CD2 LEU A 12 4.584 5.496 3.931 1.00 2.49 C ATOM 0 H LEU A 12 2.354 7.291 6.662 1.00 0.83 H new ATOM 0 HA LEU A 12 4.556 9.127 6.777 1.00 0.89 H new ATOM 0 HB2 LEU A 12 5.649 7.788 5.298 1.00 1.07 H new ATOM 0 HB3 LEU A 12 4.662 6.665 6.212 1.00 1.07 H new ATOM 0 HG LEU A 12 2.963 6.932 4.283 1.00 1.54 H new ATOM 0 HD11 LEU A 12 3.994 7.282 2.035 1.00 2.87 H new ATOM 0 HD12 LEU A 12 4.061 8.753 3.034 1.00 2.87 H new ATOM 0 HD13 LEU A 12 5.518 7.753 2.824 1.00 2.87 H new ATOM 0 HD21 LEU A 12 4.175 5.100 3.001 1.00 2.49 H new ATOM 0 HD22 LEU A 12 5.672 5.527 3.865 1.00 2.49 H new ATOM 0 HD23 LEU A 12 4.289 4.852 4.760 1.00 2.49 H new ATOM 196 N SER A 13 4.377 10.579 4.716 1.00 1.28 N ATOM 197 CA SER A 13 4.137 11.713 3.839 1.00 1.66 C ATOM 198 C SER A 13 5.359 11.987 2.958 1.00 1.40 C ATOM 199 O SER A 13 5.964 13.053 3.037 1.00 1.72 O ATOM 200 CB SER A 13 3.725 12.913 4.709 1.00 2.29 C ATOM 201 OG SER A 13 4.492 12.964 5.899 1.00 2.64 O ATOM 0 H SER A 13 5.341 10.518 5.045 1.00 1.28 H new ATOM 0 HA SER A 13 3.323 11.504 3.145 1.00 1.66 H new ATOM 0 HB2 SER A 13 3.858 13.837 4.147 1.00 2.29 H new ATOM 0 HB3 SER A 13 2.666 12.840 4.957 1.00 2.29 H new ATOM 0 HG SER A 13 4.213 13.736 6.435 1.00 2.64 H new ATOM 207 N CYS A 14 5.713 11.036 2.083 1.00 1.15 N ATOM 208 CA CYS A 14 6.798 11.227 1.125 1.00 1.18 C ATOM 209 C CYS A 14 6.633 10.327 -0.102 1.00 1.11 C ATOM 210 O CYS A 14 6.557 9.103 0.021 1.00 0.93 O ATOM 211 CB CYS A 14 8.149 10.970 1.793 1.00 1.31 C ATOM 212 SG CYS A 14 9.435 11.262 0.558 1.00 2.22 S ATOM 0 H CYS A 14 5.258 10.125 2.023 1.00 1.15 H new ATOM 0 HA CYS A 14 6.760 12.262 0.785 1.00 1.18 H new ATOM 0 HB2 CYS A 14 8.284 11.630 2.650 1.00 1.31 H new ATOM 0 HB3 CYS A 14 8.203 9.948 2.167 1.00 1.31 H new ATOM 0 HG CYS A 14 10.603 11.055 1.090 1.00 2.22 H new ATOM 218 N THR A 15 6.603 10.930 -1.293 1.00 1.33 N ATOM 219 CA THR A 15 6.504 10.253 -2.577 1.00 1.34 C ATOM 220 C THR A 15 7.504 9.098 -2.702 1.00 1.26 C ATOM 221 O THR A 15 7.168 8.035 -3.212 1.00 1.19 O ATOM 222 CB THR A 15 6.718 11.306 -3.672 1.00 1.56 C ATOM 223 OG1 THR A 15 5.975 12.461 -3.329 1.00 1.82 O ATOM 224 CG2 THR A 15 6.295 10.806 -5.055 1.00 2.12 C ATOM 0 H THR A 15 6.649 11.945 -1.387 1.00 1.33 H new ATOM 0 HA THR A 15 5.519 9.797 -2.677 1.00 1.34 H new ATOM 0 HB THR A 15 7.783 11.529 -3.731 1.00 1.56 H new ATOM 0 HG1 THR A 15 6.101 13.147 -4.017 1.00 1.82 H new ATOM 0 HG21 THR A 15 6.467 11.589 -5.793 1.00 2.12 H new ATOM 0 HG22 THR A 15 6.880 9.925 -5.318 1.00 2.12 H new ATOM 0 HG23 THR A 15 5.236 10.547 -5.040 1.00 2.12 H new ATOM 232 N ASN A 16 8.739 9.286 -2.232 1.00 1.30 N ATOM 233 CA ASN A 16 9.761 8.255 -2.281 1.00 1.29 C ATOM 234 C ASN A 16 9.328 7.023 -1.472 1.00 1.01 C ATOM 235 O ASN A 16 9.467 5.882 -1.910 1.00 0.92 O ATOM 236 CB ASN A 16 11.094 8.836 -1.790 1.00 1.52 C ATOM 237 CG ASN A 16 12.298 7.982 -2.184 1.00 2.04 C ATOM 238 OD1 ASN A 16 12.165 6.861 -2.660 1.00 3.13 O ATOM 239 ND2 ASN A 16 13.500 8.521 -2.006 1.00 2.46 N ATOM 0 H ASN A 16 9.052 10.159 -1.808 1.00 1.30 H new ATOM 0 HA ASN A 16 9.898 7.920 -3.309 1.00 1.29 H new ATOM 0 HB2 ASN A 16 11.219 9.840 -2.197 1.00 1.52 H new ATOM 0 HB3 ASN A 16 11.064 8.933 -0.705 1.00 1.52 H new ATOM 0 HD21 ASN A 16 14.337 7.999 -2.268 1.00 2.46 H new ATOM 0 HD22 ASN A 16 13.586 9.456 -1.608 1.00 2.46 H new ATOM 246 N CYS A 17 8.747 7.248 -0.290 1.00 0.92 N ATOM 247 CA CYS A 17 8.233 6.157 0.533 1.00 0.72 C ATOM 248 C CYS A 17 7.027 5.509 -0.142 1.00 0.54 C ATOM 249 O CYS A 17 6.902 4.284 -0.145 1.00 0.43 O ATOM 250 CB CYS A 17 7.857 6.655 1.927 1.00 0.73 C ATOM 251 SG CYS A 17 9.329 6.804 2.962 1.00 1.17 S ATOM 0 H CYS A 17 8.622 8.176 0.115 1.00 0.92 H new ATOM 0 HA CYS A 17 9.020 5.411 0.640 1.00 0.72 H new ATOM 0 HB2 CYS A 17 7.358 7.621 1.852 1.00 0.73 H new ATOM 0 HB3 CYS A 17 7.149 5.966 2.388 1.00 0.73 H new ATOM 0 HG CYS A 17 8.989 7.231 4.142 1.00 1.17 H new ATOM 257 N ALA A 18 6.146 6.316 -0.740 1.00 0.60 N ATOM 258 CA ALA A 18 5.061 5.788 -1.561 1.00 0.62 C ATOM 259 C ALA A 18 5.620 4.865 -2.655 1.00 0.61 C ATOM 260 O ALA A 18 5.127 3.754 -2.841 1.00 0.56 O ATOM 261 CB ALA A 18 4.224 6.933 -2.141 1.00 0.80 C ATOM 0 H ALA A 18 6.165 7.333 -0.669 1.00 0.60 H new ATOM 0 HA ALA A 18 4.398 5.188 -0.938 1.00 0.62 H new ATOM 0 HB1 ALA A 18 3.419 6.523 -2.751 1.00 0.80 H new ATOM 0 HB2 ALA A 18 3.799 7.521 -1.328 1.00 0.80 H new ATOM 0 HB3 ALA A 18 4.857 7.571 -2.758 1.00 0.80 H new ATOM 267 N ALA A 19 6.678 5.304 -3.342 1.00 0.71 N ATOM 268 CA ALA A 19 7.345 4.532 -4.384 1.00 0.72 C ATOM 269 C ALA A 19 7.909 3.222 -3.821 1.00 0.55 C ATOM 270 O ALA A 19 7.760 2.161 -4.426 1.00 0.50 O ATOM 271 CB ALA A 19 8.429 5.374 -5.063 1.00 0.94 C ATOM 0 H ALA A 19 7.099 6.220 -3.185 1.00 0.71 H new ATOM 0 HA ALA A 19 6.610 4.265 -5.143 1.00 0.72 H new ATOM 0 HB1 ALA A 19 8.917 4.783 -5.838 1.00 0.94 H new ATOM 0 HB2 ALA A 19 7.975 6.257 -5.512 1.00 0.94 H new ATOM 0 HB3 ALA A 19 9.167 5.682 -4.323 1.00 0.94 H new ATOM 277 N LYS A 20 8.547 3.279 -2.648 1.00 0.52 N ATOM 278 CA LYS A 20 8.984 2.075 -1.951 1.00 0.45 C ATOM 279 C LYS A 20 7.791 1.125 -1.766 1.00 0.38 C ATOM 280 O LYS A 20 7.864 -0.053 -2.119 1.00 0.42 O ATOM 281 CB LYS A 20 9.626 2.456 -0.607 1.00 0.51 C ATOM 282 CG LYS A 20 10.415 1.312 0.046 1.00 0.54 C ATOM 283 CD LYS A 20 11.807 1.164 -0.583 1.00 1.64 C ATOM 284 CE LYS A 20 12.630 0.123 0.190 1.00 1.93 C ATOM 285 NZ LYS A 20 14.015 0.020 -0.316 1.00 3.20 N ATOM 0 H LYS A 20 8.770 4.149 -2.164 1.00 0.52 H new ATOM 0 HA LYS A 20 9.738 1.554 -2.542 1.00 0.45 H new ATOM 0 HB2 LYS A 20 10.293 3.304 -0.760 1.00 0.51 H new ATOM 0 HB3 LYS A 20 8.845 2.785 0.079 1.00 0.51 H new ATOM 0 HG2 LYS A 20 10.515 1.500 1.115 1.00 0.54 H new ATOM 0 HG3 LYS A 20 9.863 0.378 -0.063 1.00 0.54 H new ATOM 0 HD2 LYS A 20 11.713 0.862 -1.626 1.00 1.64 H new ATOM 0 HD3 LYS A 20 12.322 2.125 -0.575 1.00 1.64 H new ATOM 0 HE2 LYS A 20 12.650 0.390 1.247 1.00 1.93 H new ATOM 0 HE3 LYS A 20 12.144 -0.850 0.116 1.00 1.93 H new ATOM 0 HZ1 LYS A 20 14.534 -0.694 0.235 1.00 3.20 H new ATOM 0 HZ2 LYS A 20 13.999 -0.260 -1.318 1.00 3.20 H new ATOM 0 HZ3 LYS A 20 14.489 0.941 -0.222 1.00 3.20 H new ATOM 299 N PHE A 21 6.691 1.647 -1.217 1.00 0.35 N ATOM 300 CA PHE A 21 5.471 0.887 -0.997 1.00 0.36 C ATOM 301 C PHE A 21 4.948 0.233 -2.280 1.00 0.42 C ATOM 302 O PHE A 21 4.808 -0.986 -2.312 1.00 0.44 O ATOM 303 CB PHE A 21 4.392 1.760 -0.348 1.00 0.41 C ATOM 304 CG PHE A 21 4.127 1.406 1.094 1.00 0.75 C ATOM 305 CD1 PHE A 21 3.376 0.257 1.407 1.00 1.84 C ATOM 306 CD2 PHE A 21 4.558 2.265 2.117 1.00 2.15 C ATOM 307 CE1 PHE A 21 2.953 0.038 2.728 1.00 1.94 C ATOM 308 CE2 PHE A 21 4.190 2.005 3.444 1.00 2.45 C ATOM 309 CZ PHE A 21 3.305 0.955 3.733 1.00 1.47 C ATOM 0 H PHE A 21 6.628 2.618 -0.912 1.00 0.35 H new ATOM 0 HA PHE A 21 5.722 0.078 -0.310 1.00 0.36 H new ATOM 0 HB2 PHE A 21 4.695 2.805 -0.409 1.00 0.41 H new ATOM 0 HB3 PHE A 21 3.466 1.663 -0.915 1.00 0.41 H new ATOM 0 HD1 PHE A 21 3.126 -0.454 0.633 1.00 1.84 H new ATOM 0 HD2 PHE A 21 5.171 3.123 1.882 1.00 2.15 H new ATOM 0 HE1 PHE A 21 2.360 -0.831 2.971 1.00 1.94 H new ATOM 0 HE2 PHE A 21 4.587 2.612 4.244 1.00 2.45 H new ATOM 0 HZ PHE A 21 2.895 0.852 4.727 1.00 1.47 H new ATOM 319 N GLU A 22 4.612 1.005 -3.321 1.00 0.50 N ATOM 320 CA GLU A 22 3.974 0.423 -4.502 1.00 0.60 C ATOM 321 C GLU A 22 4.847 -0.696 -5.091 1.00 0.59 C ATOM 322 O GLU A 22 4.341 -1.743 -5.492 1.00 0.61 O ATOM 323 CB GLU A 22 3.608 1.485 -5.550 1.00 0.72 C ATOM 324 CG GLU A 22 4.754 2.353 -6.091 1.00 0.67 C ATOM 325 CD GLU A 22 5.133 1.970 -7.513 1.00 1.27 C ATOM 326 OE1 GLU A 22 5.483 0.793 -7.726 1.00 2.91 O ATOM 327 OE2 GLU A 22 4.982 2.796 -8.434 1.00 1.58 O ATOM 0 H GLU A 22 4.768 2.012 -3.368 1.00 0.50 H new ATOM 0 HA GLU A 22 3.031 -0.021 -4.184 1.00 0.60 H new ATOM 0 HB2 GLU A 22 3.137 0.980 -6.394 1.00 0.72 H new ATOM 0 HB3 GLU A 22 2.858 2.146 -5.115 1.00 0.72 H new ATOM 0 HG2 GLU A 22 4.459 3.402 -6.064 1.00 0.67 H new ATOM 0 HG3 GLU A 22 5.624 2.250 -5.443 1.00 0.67 H new ATOM 334 N ARG A 23 6.168 -0.499 -5.085 1.00 0.57 N ATOM 335 CA ARG A 23 7.115 -1.511 -5.531 1.00 0.58 C ATOM 336 C ARG A 23 7.071 -2.742 -4.617 1.00 0.49 C ATOM 337 O ARG A 23 7.008 -3.870 -5.102 1.00 0.54 O ATOM 338 CB ARG A 23 8.524 -0.910 -5.620 1.00 0.63 C ATOM 339 CG ARG A 23 9.322 -1.601 -6.730 1.00 0.97 C ATOM 340 CD ARG A 23 10.760 -1.076 -6.764 1.00 1.04 C ATOM 341 NE ARG A 23 11.444 -1.503 -7.995 1.00 1.66 N ATOM 342 CZ ARG A 23 12.707 -1.185 -8.320 1.00 1.96 C ATOM 343 NH1 ARG A 23 13.458 -0.494 -7.455 1.00 2.42 N ATOM 344 NH2 ARG A 23 13.209 -1.553 -9.504 1.00 2.80 N ATOM 0 H ARG A 23 6.606 0.367 -4.770 1.00 0.57 H new ATOM 0 HA ARG A 23 6.832 -1.847 -6.529 1.00 0.58 H new ATOM 0 HB2 ARG A 23 8.460 0.160 -5.820 1.00 0.63 H new ATOM 0 HB3 ARG A 23 9.038 -1.026 -4.666 1.00 0.63 H new ATOM 0 HG2 ARG A 23 9.326 -2.679 -6.566 1.00 0.97 H new ATOM 0 HG3 ARG A 23 8.842 -1.427 -7.693 1.00 0.97 H new ATOM 0 HD2 ARG A 23 10.756 0.012 -6.704 1.00 1.04 H new ATOM 0 HD3 ARG A 23 11.306 -1.441 -5.894 1.00 1.04 H new ATOM 0 HE ARG A 23 10.920 -2.083 -8.650 1.00 1.66 H new ATOM 0 HH11 ARG A 23 13.070 -0.212 -6.555 1.00 2.42 H new ATOM 0 HH12 ARG A 23 14.418 -0.249 -7.696 1.00 2.42 H new ATOM 0 HH21 ARG A 23 12.632 -2.076 -10.162 1.00 2.80 H new ATOM 0 HH22 ARG A 23 14.169 -1.310 -9.749 1.00 2.80 H new ATOM 358 N ASN A 24 7.081 -2.537 -3.294 1.00 0.41 N ATOM 359 CA ASN A 24 6.892 -3.622 -2.331 1.00 0.39 C ATOM 360 C ASN A 24 5.621 -4.413 -2.653 1.00 0.47 C ATOM 361 O ASN A 24 5.621 -5.636 -2.570 1.00 0.62 O ATOM 362 CB ASN A 24 6.815 -3.093 -0.887 1.00 0.36 C ATOM 363 CG ASN A 24 8.138 -3.085 -0.127 1.00 0.51 C ATOM 364 OD1 ASN A 24 8.054 -2.883 1.186 1.00 1.30 O flip ATOM 365 ND2 ASN A 24 9.215 -3.274 -0.682 1.00 0.94 N flip ATOM 0 H ASN A 24 7.219 -1.621 -2.866 1.00 0.41 H new ATOM 0 HA ASN A 24 7.759 -4.278 -2.411 1.00 0.39 H new ATOM 0 HB2 ASN A 24 6.421 -2.077 -0.910 1.00 0.36 H new ATOM 0 HB3 ASN A 24 6.099 -3.700 -0.332 1.00 0.36 H new ATOM 0 HD21 ASN A 24 9.250 -3.426 -1.690 1.00 0.94 H new ATOM 0 HD22 ASN A 24 10.076 -3.279 -0.136 1.00 0.94 H new ATOM 372 N VAL A 25 4.532 -3.729 -3.009 1.00 0.45 N ATOM 373 CA VAL A 25 3.312 -4.395 -3.450 1.00 0.50 C ATOM 374 C VAL A 25 3.579 -5.187 -4.734 1.00 0.59 C ATOM 375 O VAL A 25 3.352 -6.390 -4.754 1.00 0.69 O ATOM 376 CB VAL A 25 2.153 -3.380 -3.541 1.00 0.52 C ATOM 377 CG1 VAL A 25 0.842 -4.053 -3.946 1.00 0.53 C ATOM 378 CG2 VAL A 25 1.920 -2.725 -2.178 1.00 0.52 C ATOM 0 H VAL A 25 4.473 -2.711 -2.999 1.00 0.45 H new ATOM 0 HA VAL A 25 2.991 -5.133 -2.715 1.00 0.50 H new ATOM 0 HB VAL A 25 2.438 -2.644 -4.293 1.00 0.52 H new ATOM 0 HG11 VAL A 25 0.051 -3.305 -3.999 1.00 0.53 H new ATOM 0 HG12 VAL A 25 0.961 -4.525 -4.921 1.00 0.53 H new ATOM 0 HG13 VAL A 25 0.578 -4.809 -3.207 1.00 0.53 H new ATOM 0 HG21 VAL A 25 1.100 -2.011 -2.253 1.00 0.52 H new ATOM 0 HG22 VAL A 25 1.668 -3.491 -1.445 1.00 0.52 H new ATOM 0 HG23 VAL A 25 2.826 -2.206 -1.864 1.00 0.52 H new ATOM 388 N LYS A 26 4.098 -4.553 -5.787 1.00 0.62 N ATOM 389 CA LYS A 26 4.459 -5.222 -7.036 1.00 0.72 C ATOM 390 C LYS A 26 5.300 -6.496 -6.837 1.00 0.72 C ATOM 391 O LYS A 26 5.103 -7.463 -7.566 1.00 0.81 O ATOM 392 CB LYS A 26 5.175 -4.206 -7.927 1.00 0.79 C ATOM 393 CG LYS A 26 4.174 -3.339 -8.699 1.00 0.87 C ATOM 394 CD LYS A 26 4.871 -2.022 -9.040 1.00 0.97 C ATOM 395 CE LYS A 26 4.075 -1.157 -10.026 1.00 0.92 C ATOM 396 NZ LYS A 26 4.671 0.190 -10.154 1.00 1.56 N ATOM 0 H LYS A 26 4.281 -3.550 -5.796 1.00 0.62 H new ATOM 0 HA LYS A 26 3.544 -5.573 -7.514 1.00 0.72 H new ATOM 0 HB2 LYS A 26 5.814 -3.570 -7.315 1.00 0.79 H new ATOM 0 HB3 LYS A 26 5.824 -4.729 -8.629 1.00 0.79 H new ATOM 0 HG2 LYS A 26 3.848 -3.846 -9.607 1.00 0.87 H new ATOM 0 HG3 LYS A 26 3.283 -3.156 -8.099 1.00 0.87 H new ATOM 0 HD2 LYS A 26 5.037 -1.457 -8.122 1.00 0.97 H new ATOM 0 HD3 LYS A 26 5.852 -2.236 -9.464 1.00 0.97 H new ATOM 0 HE2 LYS A 26 4.051 -1.642 -11.002 1.00 0.92 H new ATOM 0 HE3 LYS A 26 3.043 -1.071 -9.687 1.00 0.92 H new ATOM 0 HZ1 LYS A 26 3.916 0.905 -10.152 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 5.313 0.363 -9.355 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 5.203 0.251 -11.045 1.00 1.56 H new ATOM 410 N GLU A 27 6.226 -6.513 -5.871 1.00 0.63 N ATOM 411 CA GLU A 27 6.981 -7.720 -5.519 1.00 0.66 C ATOM 412 C GLU A 27 6.069 -8.919 -5.195 1.00 0.64 C ATOM 413 O GLU A 27 6.432 -10.061 -5.465 1.00 0.74 O ATOM 414 CB GLU A 27 7.922 -7.423 -4.339 1.00 0.84 C ATOM 415 CG GLU A 27 9.308 -6.944 -4.791 1.00 1.27 C ATOM 416 CD GLU A 27 10.231 -8.114 -5.114 1.00 2.41 C ATOM 417 OE1 GLU A 27 10.562 -8.846 -4.157 1.00 3.16 O ATOM 418 OE2 GLU A 27 10.603 -8.237 -6.300 1.00 3.30 O ATOM 0 H GLU A 27 6.472 -5.695 -5.314 1.00 0.63 H new ATOM 0 HA GLU A 27 7.568 -8.002 -6.393 1.00 0.66 H new ATOM 0 HB2 GLU A 27 7.470 -6.663 -3.702 1.00 0.84 H new ATOM 0 HB3 GLU A 27 8.033 -8.322 -3.733 1.00 0.84 H new ATOM 0 HG2 GLU A 27 9.205 -6.308 -5.670 1.00 1.27 H new ATOM 0 HG3 GLU A 27 9.755 -6.333 -4.007 1.00 1.27 H new ATOM 425 N ILE A 28 4.905 -8.687 -4.584 1.00 0.68 N ATOM 426 CA ILE A 28 3.982 -9.757 -4.227 1.00 0.66 C ATOM 427 C ILE A 28 3.370 -10.330 -5.517 1.00 0.52 C ATOM 428 O ILE A 28 2.800 -9.601 -6.320 1.00 0.55 O ATOM 429 CB ILE A 28 2.864 -9.228 -3.307 1.00 0.69 C ATOM 430 CG1 ILE A 28 3.326 -8.339 -2.139 1.00 0.64 C ATOM 431 CG2 ILE A 28 2.015 -10.381 -2.736 1.00 0.79 C ATOM 432 CD1 ILE A 28 2.126 -7.550 -1.605 1.00 1.27 C ATOM 0 H ILE A 28 4.580 -7.755 -4.325 1.00 0.68 H new ATOM 0 HA ILE A 28 4.523 -10.536 -3.689 1.00 0.66 H new ATOM 0 HB ILE A 28 2.275 -8.591 -3.967 1.00 0.69 H new ATOM 0 HG12 ILE A 28 3.756 -8.952 -1.347 1.00 0.64 H new ATOM 0 HG13 ILE A 28 4.107 -7.656 -2.472 1.00 0.64 H new ATOM 0 HG21 ILE A 28 1.236 -9.974 -2.092 1.00 0.79 H new ATOM 0 HG22 ILE A 28 1.556 -10.935 -3.555 1.00 0.79 H new ATOM 0 HG23 ILE A 28 2.652 -11.050 -2.157 1.00 0.79 H new ATOM 0 HD11 ILE A 28 2.446 -6.918 -0.777 1.00 1.27 H new ATOM 0 HD12 ILE A 28 1.717 -6.927 -2.400 1.00 1.27 H new ATOM 0 HD13 ILE A 28 1.360 -8.243 -1.257 1.00 1.27 H new ATOM 444 N GLU A 29 3.394 -11.650 -5.689 1.00 0.57 N ATOM 445 CA GLU A 29 2.830 -12.330 -6.844 1.00 0.52 C ATOM 446 C GLU A 29 1.294 -12.317 -6.872 1.00 0.68 C ATOM 447 O GLU A 29 0.685 -12.690 -7.871 1.00 1.85 O ATOM 448 CB GLU A 29 3.371 -13.763 -6.847 1.00 0.78 C ATOM 449 CG GLU A 29 4.771 -13.848 -7.469 1.00 0.83 C ATOM 450 CD GLU A 29 5.234 -15.296 -7.584 1.00 1.68 C ATOM 451 OE1 GLU A 29 5.187 -15.987 -6.544 1.00 2.58 O ATOM 452 OE2 GLU A 29 5.610 -15.688 -8.710 1.00 2.43 O ATOM 0 H GLU A 29 3.816 -12.287 -5.013 1.00 0.57 H new ATOM 0 HA GLU A 29 3.131 -11.795 -7.745 1.00 0.52 H new ATOM 0 HB2 GLU A 29 3.405 -14.140 -5.825 1.00 0.78 H new ATOM 0 HB3 GLU A 29 2.688 -14.407 -7.401 1.00 0.78 H new ATOM 0 HG2 GLU A 29 4.762 -13.386 -8.456 1.00 0.83 H new ATOM 0 HG3 GLU A 29 5.478 -13.284 -6.860 1.00 0.83 H new ATOM 459 N GLY A 30 0.661 -11.912 -5.772 1.00 0.69 N ATOM 460 CA GLY A 30 -0.787 -11.901 -5.627 1.00 0.76 C ATOM 461 C GLY A 30 -1.428 -10.671 -6.272 1.00 0.67 C ATOM 462 O GLY A 30 -2.623 -10.668 -6.550 1.00 0.91 O ATOM 0 H GLY A 30 1.153 -11.577 -4.944 1.00 0.69 H new ATOM 0 HA2 GLY A 30 -1.202 -12.802 -6.079 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -1.044 -11.928 -4.568 1.00 0.76 H new ATOM 466 N VAL A 31 -0.667 -9.592 -6.466 1.00 0.47 N ATOM 467 CA VAL A 31 -1.171 -8.336 -6.972 1.00 0.50 C ATOM 468 C VAL A 31 -0.603 -8.095 -8.373 1.00 0.66 C ATOM 469 O VAL A 31 0.475 -8.583 -8.703 1.00 0.96 O ATOM 470 CB VAL A 31 -0.803 -7.259 -5.951 1.00 0.52 C ATOM 471 CG1 VAL A 31 0.686 -6.952 -5.935 1.00 0.73 C ATOM 472 CG2 VAL A 31 -1.551 -5.967 -6.213 1.00 0.64 C ATOM 0 H VAL A 31 0.334 -9.577 -6.269 1.00 0.47 H new ATOM 0 HA VAL A 31 -2.255 -8.328 -7.088 1.00 0.50 H new ATOM 0 HB VAL A 31 -1.089 -7.668 -4.982 1.00 0.52 H new ATOM 0 HG11 VAL A 31 0.891 -6.181 -5.192 1.00 0.73 H new ATOM 0 HG12 VAL A 31 1.241 -7.855 -5.682 1.00 0.73 H new ATOM 0 HG13 VAL A 31 0.995 -6.599 -6.919 1.00 0.73 H new ATOM 0 HG21 VAL A 31 -1.265 -5.224 -5.469 1.00 0.64 H new ATOM 0 HG22 VAL A 31 -1.303 -5.598 -7.208 1.00 0.64 H new ATOM 0 HG23 VAL A 31 -2.624 -6.149 -6.151 1.00 0.64 H new ATOM 482 N THR A 32 -1.341 -7.345 -9.189 1.00 0.61 N ATOM 483 CA THR A 32 -0.973 -6.969 -10.542 1.00 0.72 C ATOM 484 C THR A 32 -0.590 -5.496 -10.529 1.00 0.76 C ATOM 485 O THR A 32 0.528 -5.159 -10.915 1.00 0.82 O ATOM 486 CB THR A 32 -2.135 -7.255 -11.505 1.00 0.80 C ATOM 487 OG1 THR A 32 -2.514 -8.611 -11.380 1.00 0.79 O ATOM 488 CG2 THR A 32 -1.729 -6.981 -12.957 1.00 0.95 C ATOM 0 H THR A 32 -2.247 -6.970 -8.909 1.00 0.61 H new ATOM 0 HA THR A 32 -0.123 -7.554 -10.893 1.00 0.72 H new ATOM 0 HB THR A 32 -2.967 -6.599 -11.249 1.00 0.80 H new ATOM 0 HG1 THR A 32 -3.257 -8.801 -11.991 1.00 0.79 H new ATOM 0 HG21 THR A 32 -2.571 -7.192 -13.616 1.00 0.95 H new ATOM 0 HG22 THR A 32 -1.439 -5.936 -13.063 1.00 0.95 H new ATOM 0 HG23 THR A 32 -0.888 -7.620 -13.226 1.00 0.95 H new ATOM 496 N GLU A 33 -1.502 -4.629 -10.066 1.00 0.75 N ATOM 497 CA GLU A 33 -1.187 -3.202 -9.946 1.00 0.80 C ATOM 498 C GLU A 33 -1.437 -2.670 -8.539 1.00 0.78 C ATOM 499 O GLU A 33 -2.162 -3.267 -7.750 1.00 0.95 O ATOM 500 CB GLU A 33 -1.936 -2.367 -10.993 1.00 0.92 C ATOM 501 CG GLU A 33 -1.519 -2.726 -12.424 1.00 0.90 C ATOM 502 CD GLU A 33 -1.766 -1.556 -13.368 1.00 1.11 C ATOM 503 OE1 GLU A 33 -2.897 -1.027 -13.324 1.00 1.57 O ATOM 504 OE2 GLU A 33 -0.811 -1.195 -14.088 1.00 2.36 O ATOM 0 H GLU A 33 -2.445 -4.886 -9.774 1.00 0.75 H new ATOM 0 HA GLU A 33 -0.119 -3.103 -10.141 1.00 0.80 H new ATOM 0 HB2 GLU A 33 -3.009 -2.522 -10.879 1.00 0.92 H new ATOM 0 HB3 GLU A 33 -1.746 -1.309 -10.815 1.00 0.92 H new ATOM 0 HG2 GLU A 33 -0.464 -2.998 -12.443 1.00 0.90 H new ATOM 0 HG3 GLU A 33 -2.079 -3.598 -12.763 1.00 0.90 H new ATOM 511 N ALA A 34 -0.836 -1.522 -8.223 1.00 0.69 N ATOM 512 CA ALA A 34 -1.072 -0.803 -6.986 1.00 0.70 C ATOM 513 C ALA A 34 -0.840 0.675 -7.258 1.00 0.65 C ATOM 514 O ALA A 34 0.078 1.006 -8.008 1.00 0.61 O ATOM 515 CB ALA A 34 -0.132 -1.323 -5.900 1.00 0.82 C ATOM 0 H ALA A 34 -0.161 -1.064 -8.835 1.00 0.69 H new ATOM 0 HA ALA A 34 -2.093 -0.952 -6.634 1.00 0.70 H new ATOM 0 HB1 ALA A 34 -0.312 -0.780 -4.972 1.00 0.82 H new ATOM 0 HB2 ALA A 34 -0.314 -2.386 -5.740 1.00 0.82 H new ATOM 0 HB3 ALA A 34 0.902 -1.175 -6.212 1.00 0.82 H new ATOM 521 N ILE A 35 -1.678 1.549 -6.694 1.00 0.69 N ATOM 522 CA ILE A 35 -1.561 2.995 -6.885 1.00 0.69 C ATOM 523 C ILE A 35 -1.684 3.615 -5.498 1.00 0.61 C ATOM 524 O ILE A 35 -2.758 3.573 -4.900 1.00 0.54 O ATOM 525 CB ILE A 35 -2.620 3.532 -7.874 1.00 0.69 C ATOM 526 CG1 ILE A 35 -2.573 2.802 -9.231 1.00 0.81 C ATOM 527 CG2 ILE A 35 -2.406 5.041 -8.077 1.00 0.72 C ATOM 528 CD1 ILE A 35 -3.839 3.035 -10.063 1.00 1.35 C ATOM 0 H ILE A 35 -2.455 1.274 -6.093 1.00 0.69 H new ATOM 0 HA ILE A 35 -0.605 3.259 -7.337 1.00 0.69 H new ATOM 0 HB ILE A 35 -3.605 3.347 -7.445 1.00 0.69 H new ATOM 0 HG12 ILE A 35 -1.704 3.142 -9.794 1.00 0.81 H new ATOM 0 HG13 ILE A 35 -2.444 1.733 -9.061 1.00 0.81 H new ATOM 0 HG21 ILE A 35 -3.151 5.424 -8.774 1.00 0.72 H new ATOM 0 HG22 ILE A 35 -2.506 5.555 -7.121 1.00 0.72 H new ATOM 0 HG23 ILE A 35 -1.409 5.216 -8.480 1.00 0.72 H new ATOM 0 HD11 ILE A 35 -3.756 2.500 -11.009 1.00 1.35 H new ATOM 0 HD12 ILE A 35 -4.707 2.670 -9.514 1.00 1.35 H new ATOM 0 HD13 ILE A 35 -3.955 4.101 -10.258 1.00 1.35 H new ATOM 540 N VAL A 36 -0.567 4.094 -4.945 1.00 0.70 N ATOM 541 CA VAL A 36 -0.446 4.362 -3.524 1.00 0.59 C ATOM 542 C VAL A 36 -0.114 5.838 -3.298 1.00 0.92 C ATOM 543 O VAL A 36 0.901 6.324 -3.792 1.00 1.32 O ATOM 544 CB VAL A 36 0.546 3.359 -2.907 1.00 0.59 C ATOM 545 CG1 VAL A 36 0.346 1.945 -3.483 1.00 2.04 C ATOM 546 CG2 VAL A 36 2.015 3.748 -3.096 1.00 1.58 C ATOM 0 H VAL A 36 0.277 4.305 -5.478 1.00 0.70 H new ATOM 0 HA VAL A 36 -1.390 4.206 -3.001 1.00 0.59 H new ATOM 0 HB VAL A 36 0.326 3.374 -1.840 1.00 0.59 H new ATOM 0 HG11 VAL A 36 1.062 1.262 -3.026 1.00 2.04 H new ATOM 0 HG12 VAL A 36 -0.667 1.605 -3.269 1.00 2.04 H new ATOM 0 HG13 VAL A 36 0.502 1.966 -4.562 1.00 2.04 H new ATOM 0 HG21 VAL A 36 2.653 2.994 -2.635 1.00 1.58 H new ATOM 0 HG22 VAL A 36 2.240 3.813 -4.161 1.00 1.58 H new ATOM 0 HG23 VAL A 36 2.199 4.715 -2.627 1.00 1.58 H new ATOM 556 N ASN A 37 -0.992 6.567 -2.601 1.00 0.81 N ATOM 557 CA ASN A 37 -0.914 8.025 -2.548 1.00 0.81 C ATOM 558 C ASN A 37 -0.237 8.485 -1.258 1.00 1.07 C ATOM 559 O ASN A 37 0.683 9.298 -1.304 1.00 2.44 O ATOM 560 CB ASN A 37 -2.312 8.641 -2.701 1.00 0.91 C ATOM 561 CG ASN A 37 -2.938 8.396 -4.075 1.00 1.02 C ATOM 562 OD1 ASN A 37 -2.356 7.759 -4.947 1.00 1.75 O ATOM 563 ND2 ASN A 37 -4.153 8.897 -4.284 1.00 2.05 N ATOM 0 H ASN A 37 -1.764 6.168 -2.067 1.00 0.81 H new ATOM 0 HA ASN A 37 -0.302 8.372 -3.380 1.00 0.81 H new ATOM 0 HB2 ASN A 37 -2.968 8.230 -1.933 1.00 0.91 H new ATOM 0 HB3 ASN A 37 -2.249 9.715 -2.525 1.00 0.91 H new ATOM 0 HD21 ASN A 37 -4.616 8.754 -5.181 1.00 2.05 H new ATOM 0 HD22 ASN A 37 -4.621 9.424 -3.547 1.00 2.05 H new ATOM 570 N PHE A 38 -0.679 7.961 -0.107 1.00 1.29 N ATOM 571 CA PHE A 38 -0.140 8.325 1.205 1.00 1.39 C ATOM 572 C PHE A 38 -0.272 9.831 1.487 1.00 1.60 C ATOM 573 O PHE A 38 -1.098 10.498 0.863 1.00 2.37 O ATOM 574 CB PHE A 38 1.294 7.794 1.339 1.00 1.54 C ATOM 575 CG PHE A 38 1.360 6.290 1.436 1.00 1.38 C ATOM 576 CD1 PHE A 38 1.170 5.682 2.688 1.00 2.59 C ATOM 577 CD2 PHE A 38 1.662 5.504 0.311 1.00 1.56 C ATOM 578 CE1 PHE A 38 1.386 4.306 2.835 1.00 2.59 C ATOM 579 CE2 PHE A 38 1.796 4.112 0.452 1.00 1.84 C ATOM 580 CZ PHE A 38 1.633 3.513 1.709 1.00 1.74 C ATOM 0 H PHE A 38 -1.426 7.268 -0.063 1.00 1.29 H new ATOM 0 HA PHE A 38 -0.737 7.847 1.982 1.00 1.39 H new ATOM 0 HB2 PHE A 38 1.879 8.123 0.480 1.00 1.54 H new ATOM 0 HB3 PHE A 38 1.756 8.230 2.225 1.00 1.54 H new ATOM 0 HD1 PHE A 38 0.858 6.274 3.535 1.00 2.59 H new ATOM 0 HD2 PHE A 38 1.790 5.967 -0.656 1.00 1.56 H new ATOM 0 HE1 PHE A 38 1.362 3.857 3.817 1.00 2.59 H new ATOM 0 HE2 PHE A 38 2.025 3.503 -0.410 1.00 1.84 H new ATOM 0 HZ PHE A 38 1.698 2.440 1.808 1.00 1.74 H new ATOM 590 N GLY A 39 0.468 10.378 2.463 1.00 1.97 N ATOM 591 CA GLY A 39 0.374 11.783 2.827 1.00 2.14 C ATOM 592 C GLY A 39 -0.863 12.020 3.680 1.00 2.23 C ATOM 593 O GLY A 39 -0.761 12.285 4.874 1.00 3.06 O ATOM 0 H GLY A 39 1.145 9.852 3.016 1.00 1.97 H new ATOM 0 HA2 GLY A 39 1.267 12.085 3.375 1.00 2.14 H new ATOM 0 HA3 GLY A 39 0.329 12.397 1.928 1.00 2.14 H new ATOM 597 N ALA A 40 -2.027 11.910 3.047 1.00 1.72 N ATOM 598 CA ALA A 40 -3.333 12.050 3.663 1.00 1.57 C ATOM 599 C ALA A 40 -4.341 11.508 2.657 1.00 1.08 C ATOM 600 O ALA A 40 -5.157 12.253 2.116 1.00 1.73 O ATOM 601 CB ALA A 40 -3.596 13.523 4.003 1.00 2.25 C ATOM 0 H ALA A 40 -2.083 11.712 2.048 1.00 1.72 H new ATOM 0 HA ALA A 40 -3.406 11.499 4.600 1.00 1.57 H new ATOM 0 HB1 ALA A 40 -4.578 13.620 4.465 1.00 2.25 H new ATOM 0 HB2 ALA A 40 -2.833 13.879 4.695 1.00 2.25 H new ATOM 0 HB3 ALA A 40 -3.564 14.118 3.091 1.00 2.25 H new ATOM 607 N SER A 41 -4.222 10.222 2.318 1.00 0.76 N ATOM 608 CA SER A 41 -4.999 9.622 1.244 1.00 1.02 C ATOM 609 C SER A 41 -5.150 8.109 1.449 1.00 0.58 C ATOM 610 O SER A 41 -5.709 7.668 2.452 1.00 0.59 O ATOM 611 CB SER A 41 -4.389 10.010 -0.116 1.00 2.01 C ATOM 612 OG SER A 41 -4.647 11.360 -0.445 1.00 2.48 O ATOM 0 H SER A 41 -3.585 9.574 2.782 1.00 0.76 H new ATOM 0 HA SER A 41 -6.015 10.015 1.258 1.00 1.02 H new ATOM 0 HB2 SER A 41 -3.312 9.842 -0.092 1.00 2.01 H new ATOM 0 HB3 SER A 41 -4.795 9.363 -0.894 1.00 2.01 H new ATOM 0 HG SER A 41 -4.936 11.843 0.357 1.00 2.48 H new ATOM 618 N LYS A 42 -4.761 7.307 0.455 1.00 0.49 N ATOM 619 CA LYS A 42 -5.241 5.949 0.311 1.00 0.35 C ATOM 620 C LYS A 42 -4.267 5.140 -0.546 1.00 0.35 C ATOM 621 O LYS A 42 -3.376 5.710 -1.186 1.00 0.53 O ATOM 622 CB LYS A 42 -6.694 5.979 -0.196 1.00 0.66 C ATOM 623 CG LYS A 42 -6.922 6.732 -1.520 1.00 0.97 C ATOM 624 CD LYS A 42 -8.304 7.413 -1.561 1.00 1.63 C ATOM 625 CE LYS A 42 -9.468 6.422 -1.370 1.00 2.76 C ATOM 626 NZ LYS A 42 -10.796 7.070 -1.439 1.00 3.66 N ATOM 0 H LYS A 42 -4.102 7.591 -0.270 1.00 0.49 H new ATOM 0 HA LYS A 42 -5.271 5.430 1.269 1.00 0.35 H new ATOM 0 HB2 LYS A 42 -7.038 4.952 -0.319 1.00 0.66 H new ATOM 0 HB3 LYS A 42 -7.319 6.435 0.572 1.00 0.66 H new ATOM 0 HG2 LYS A 42 -6.143 7.483 -1.650 1.00 0.97 H new ATOM 0 HG3 LYS A 42 -6.835 6.035 -2.354 1.00 0.97 H new ATOM 0 HD2 LYS A 42 -8.351 8.175 -0.783 1.00 1.63 H new ATOM 0 HD3 LYS A 42 -8.423 7.925 -2.516 1.00 1.63 H new ATOM 0 HE2 LYS A 42 -9.408 5.647 -2.135 1.00 2.76 H new ATOM 0 HE3 LYS A 42 -9.361 5.926 -0.405 1.00 2.76 H new ATOM 0 HZ1 LYS A 42 -11.539 6.355 -1.304 1.00 3.66 H new ATOM 0 HZ2 LYS A 42 -10.870 7.791 -0.693 1.00 3.66 H new ATOM 0 HZ3 LYS A 42 -10.915 7.521 -2.369 1.00 3.66 H new ATOM 640 N ILE A 43 -4.431 3.817 -0.508 1.00 0.29 N ATOM 641 CA ILE A 43 -3.569 2.827 -1.140 1.00 0.38 C ATOM 642 C ILE A 43 -4.451 1.877 -1.956 1.00 0.35 C ATOM 643 O ILE A 43 -5.195 1.072 -1.394 1.00 0.34 O ATOM 644 CB ILE A 43 -2.678 2.163 -0.064 1.00 0.45 C ATOM 645 CG1 ILE A 43 -1.743 1.048 -0.579 1.00 0.58 C ATOM 646 CG2 ILE A 43 -3.492 1.643 1.123 1.00 0.41 C ATOM 647 CD1 ILE A 43 -0.588 0.782 0.389 1.00 2.81 C ATOM 0 H ILE A 43 -5.210 3.389 -0.009 1.00 0.29 H new ATOM 0 HA ILE A 43 -2.867 3.266 -1.849 1.00 0.38 H new ATOM 0 HB ILE A 43 -2.032 2.978 0.262 1.00 0.45 H new ATOM 0 HG12 ILE A 43 -2.315 0.131 -0.723 1.00 0.58 H new ATOM 0 HG13 ILE A 43 -1.343 1.330 -1.553 1.00 0.58 H new ATOM 0 HG21 ILE A 43 -2.822 1.186 1.851 1.00 0.41 H new ATOM 0 HG22 ILE A 43 -4.024 2.472 1.590 1.00 0.41 H new ATOM 0 HG23 ILE A 43 -4.210 0.901 0.774 1.00 0.41 H new ATOM 0 HD11 ILE A 43 0.047 -0.009 -0.010 1.00 2.81 H new ATOM 0 HD12 ILE A 43 0.000 1.691 0.512 1.00 2.81 H new ATOM 0 HD13 ILE A 43 -0.987 0.474 1.356 1.00 2.81 H new ATOM 659 N THR A 44 -4.439 2.032 -3.285 1.00 0.45 N ATOM 660 CA THR A 44 -5.135 1.140 -4.203 1.00 0.51 C ATOM 661 C THR A 44 -4.241 -0.052 -4.494 1.00 0.55 C ATOM 662 O THR A 44 -3.032 0.102 -4.664 1.00 0.63 O ATOM 663 CB THR A 44 -5.537 1.870 -5.490 1.00 0.63 C ATOM 664 OG1 THR A 44 -6.333 2.974 -5.148 1.00 0.62 O ATOM 665 CG2 THR A 44 -6.306 0.991 -6.482 1.00 0.73 C ATOM 0 H THR A 44 -3.940 2.789 -3.752 1.00 0.45 H new ATOM 0 HA THR A 44 -6.059 0.792 -3.742 1.00 0.51 H new ATOM 0 HB THR A 44 -4.615 2.171 -5.988 1.00 0.63 H new ATOM 0 HG1 THR A 44 -6.596 3.452 -5.962 1.00 0.62 H new ATOM 0 HG21 THR A 44 -6.557 1.575 -7.367 1.00 0.73 H new ATOM 0 HG22 THR A 44 -5.687 0.141 -6.771 1.00 0.73 H new ATOM 0 HG23 THR A 44 -7.222 0.630 -6.014 1.00 0.73 H new ATOM 673 N VAL A 45 -4.861 -1.225 -4.545 1.00 0.56 N ATOM 674 CA VAL A 45 -4.263 -2.519 -4.786 1.00 0.62 C ATOM 675 C VAL A 45 -5.185 -3.184 -5.810 1.00 0.63 C ATOM 676 O VAL A 45 -6.407 -3.021 -5.748 1.00 0.63 O ATOM 677 CB VAL A 45 -4.228 -3.269 -3.445 1.00 0.67 C ATOM 678 CG1 VAL A 45 -3.765 -4.724 -3.574 1.00 1.04 C ATOM 679 CG2 VAL A 45 -3.329 -2.556 -2.424 1.00 1.02 C ATOM 0 H VAL A 45 -5.869 -1.294 -4.408 1.00 0.56 H new ATOM 0 HA VAL A 45 -3.242 -2.491 -5.166 1.00 0.62 H new ATOM 0 HB VAL A 45 -5.261 -3.272 -3.096 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -3.764 -5.194 -2.591 1.00 1.04 H new ATOM 0 HG12 VAL A 45 -4.444 -5.265 -4.234 1.00 1.04 H new ATOM 0 HG13 VAL A 45 -2.758 -4.750 -3.990 1.00 1.04 H new ATOM 0 HG21 VAL A 45 -3.328 -3.114 -1.488 1.00 1.02 H new ATOM 0 HG22 VAL A 45 -2.312 -2.498 -2.813 1.00 1.02 H new ATOM 0 HG23 VAL A 45 -3.708 -1.550 -2.246 1.00 1.02 H new ATOM 689 N THR A 46 -4.633 -3.870 -6.806 1.00 0.67 N ATOM 690 CA THR A 46 -5.398 -4.485 -7.873 1.00 0.71 C ATOM 691 C THR A 46 -4.679 -5.726 -8.306 1.00 0.68 C ATOM 692 O THR A 46 -3.474 -5.710 -8.502 1.00 0.93 O ATOM 693 CB THR A 46 -5.562 -3.506 -9.041 1.00 0.80 C ATOM 694 OG1 THR A 46 -6.331 -2.460 -8.524 1.00 0.84 O ATOM 695 CG2 THR A 46 -6.297 -4.105 -10.244 1.00 0.87 C ATOM 0 H THR A 46 -3.627 -4.013 -6.891 1.00 0.67 H new ATOM 0 HA THR A 46 -6.397 -4.745 -7.523 1.00 0.71 H new ATOM 0 HB THR A 46 -4.581 -3.207 -9.409 1.00 0.80 H new ATOM 0 HG1 THR A 46 -6.478 -1.787 -9.221 1.00 0.84 H new ATOM 0 HG21 THR A 46 -6.376 -3.356 -11.032 1.00 0.87 H new ATOM 0 HG22 THR A 46 -5.743 -4.966 -10.617 1.00 0.87 H new ATOM 0 HG23 THR A 46 -7.296 -4.420 -9.941 1.00 0.87 H new ATOM 703 N GLY A 47 -5.411 -6.811 -8.458 1.00 0.59 N ATOM 704 CA GLY A 47 -4.815 -8.026 -8.954 1.00 0.58 C ATOM 705 C GLY A 47 -5.613 -9.193 -8.380 1.00 0.56 C ATOM 706 O GLY A 47 -6.648 -9.558 -8.928 1.00 0.71 O ATOM 0 H GLY A 47 -6.407 -6.873 -8.247 1.00 0.59 H new ATOM 0 HA2 GLY A 47 -4.835 -8.046 -10.044 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -3.769 -8.091 -8.653 1.00 0.58 H new ATOM 710 N GLU A 48 -5.157 -9.710 -7.233 1.00 0.45 N ATOM 711 CA GLU A 48 -5.803 -10.758 -6.447 1.00 0.45 C ATOM 712 C GLU A 48 -5.162 -10.819 -5.045 1.00 0.44 C ATOM 713 O GLU A 48 -4.731 -11.876 -4.586 1.00 0.53 O ATOM 714 CB GLU A 48 -5.698 -12.103 -7.194 1.00 0.52 C ATOM 715 CG GLU A 48 -6.720 -13.137 -6.699 1.00 0.62 C ATOM 716 CD GLU A 48 -6.501 -14.488 -7.368 1.00 1.39 C ATOM 717 OE1 GLU A 48 -5.529 -15.167 -6.972 1.00 2.18 O ATOM 718 OE2 GLU A 48 -7.307 -14.817 -8.264 1.00 2.26 O ATOM 0 H GLU A 48 -4.285 -9.391 -6.811 1.00 0.45 H new ATOM 0 HA GLU A 48 -6.862 -10.536 -6.317 1.00 0.45 H new ATOM 0 HB2 GLU A 48 -5.846 -11.934 -8.261 1.00 0.52 H new ATOM 0 HB3 GLU A 48 -4.692 -12.505 -7.071 1.00 0.52 H new ATOM 0 HG2 GLU A 48 -6.638 -13.246 -5.618 1.00 0.62 H new ATOM 0 HG3 GLU A 48 -7.730 -12.784 -6.908 1.00 0.62 H new ATOM 725 N ALA A 49 -5.074 -9.682 -4.341 1.00 0.40 N ATOM 726 CA ALA A 49 -4.499 -9.640 -2.998 1.00 0.41 C ATOM 727 C ALA A 49 -5.120 -8.527 -2.155 1.00 0.36 C ATOM 728 O ALA A 49 -5.803 -7.648 -2.680 1.00 0.44 O ATOM 729 CB ALA A 49 -2.979 -9.477 -3.085 1.00 0.48 C ATOM 0 H ALA A 49 -5.397 -8.778 -4.685 1.00 0.40 H new ATOM 0 HA ALA A 49 -4.725 -10.584 -2.502 1.00 0.41 H new ATOM 0 HB1 ALA A 49 -2.558 -9.447 -2.080 1.00 0.48 H new ATOM 0 HB2 ALA A 49 -2.553 -10.319 -3.631 1.00 0.48 H new ATOM 0 HB3 ALA A 49 -2.742 -8.549 -3.606 1.00 0.48 H new ATOM 735 N SER A 50 -4.868 -8.583 -0.843 1.00 0.34 N ATOM 736 CA SER A 50 -5.437 -7.699 0.164 1.00 0.32 C ATOM 737 C SER A 50 -4.345 -6.925 0.898 1.00 0.25 C ATOM 738 O SER A 50 -3.175 -7.307 0.840 1.00 0.26 O ATOM 739 CB SER A 50 -6.230 -8.539 1.169 1.00 0.39 C ATOM 740 OG SER A 50 -7.281 -9.216 0.511 1.00 0.58 O ATOM 0 H SER A 50 -4.235 -9.276 -0.444 1.00 0.34 H new ATOM 0 HA SER A 50 -6.090 -6.979 -0.330 1.00 0.32 H new ATOM 0 HB2 SER A 50 -5.571 -9.259 1.654 1.00 0.39 H new ATOM 0 HB3 SER A 50 -6.634 -7.898 1.953 1.00 0.39 H new ATOM 0 HG SER A 50 -7.782 -9.752 1.161 1.00 0.58 H new ATOM 746 N ILE A 51 -4.748 -5.871 1.627 1.00 0.25 N ATOM 747 CA ILE A 51 -3.826 -5.023 2.379 1.00 0.27 C ATOM 748 C ILE A 51 -2.848 -5.870 3.182 1.00 0.26 C ATOM 749 O ILE A 51 -1.670 -5.617 3.064 1.00 0.40 O ATOM 750 CB ILE A 51 -4.551 -3.955 3.223 1.00 0.37 C ATOM 751 CG1 ILE A 51 -3.698 -2.729 3.583 1.00 0.60 C ATOM 752 CG2 ILE A 51 -5.243 -4.524 4.468 1.00 0.51 C ATOM 753 CD1 ILE A 51 -2.499 -2.990 4.494 1.00 2.69 C ATOM 0 H ILE A 51 -5.725 -5.588 1.707 1.00 0.25 H new ATOM 0 HA ILE A 51 -3.237 -4.453 1.660 1.00 0.27 H new ATOM 0 HB ILE A 51 -5.328 -3.596 2.548 1.00 0.37 H new ATOM 0 HG12 ILE A 51 -3.335 -2.280 2.659 1.00 0.60 H new ATOM 0 HG13 ILE A 51 -4.341 -1.993 4.065 1.00 0.60 H new ATOM 0 HG21 ILE A 51 -5.732 -3.717 5.013 1.00 0.51 H new ATOM 0 HG22 ILE A 51 -5.987 -5.261 4.166 1.00 0.51 H new ATOM 0 HG23 ILE A 51 -4.502 -4.999 5.111 1.00 0.51 H new ATOM 0 HD11 ILE A 51 -1.972 -2.054 4.680 1.00 2.69 H new ATOM 0 HD12 ILE A 51 -2.845 -3.406 5.440 1.00 2.69 H new ATOM 0 HD13 ILE A 51 -1.823 -3.697 4.013 1.00 2.69 H new ATOM 765 N GLN A 52 -3.292 -6.899 3.912 1.00 0.28 N ATOM 766 CA GLN A 52 -2.474 -7.780 4.755 1.00 0.35 C ATOM 767 C GLN A 52 -1.030 -7.958 4.259 1.00 0.40 C ATOM 768 O GLN A 52 -0.065 -7.776 5.002 1.00 0.47 O ATOM 769 CB GLN A 52 -3.179 -9.138 4.859 1.00 0.43 C ATOM 770 CG GLN A 52 -4.487 -9.071 5.664 1.00 0.52 C ATOM 771 CD GLN A 52 -4.256 -9.170 7.172 1.00 1.56 C ATOM 772 OE1 GLN A 52 -4.402 -10.248 7.740 1.00 2.21 O ATOM 773 NE2 GLN A 52 -3.909 -8.079 7.846 1.00 2.55 N ATOM 0 H GLN A 52 -4.280 -7.153 3.932 1.00 0.28 H new ATOM 0 HA GLN A 52 -2.383 -7.307 5.733 1.00 0.35 H new ATOM 0 HB2 GLN A 52 -3.393 -9.508 3.857 1.00 0.43 H new ATOM 0 HB3 GLN A 52 -2.506 -9.856 5.327 1.00 0.43 H new ATOM 0 HG2 GLN A 52 -5.000 -8.136 5.440 1.00 0.52 H new ATOM 0 HG3 GLN A 52 -5.146 -9.880 5.347 1.00 0.52 H new ATOM 0 HE21 GLN A 52 -3.793 -7.192 7.356 1.00 2.55 H new ATOM 0 HE22 GLN A 52 -3.759 -8.128 8.854 1.00 2.55 H new ATOM 782 N GLN A 53 -0.876 -8.296 2.980 1.00 0.40 N ATOM 783 CA GLN A 53 0.445 -8.497 2.391 1.00 0.51 C ATOM 784 C GLN A 53 1.246 -7.178 2.377 1.00 0.51 C ATOM 785 O GLN A 53 2.400 -7.103 2.799 1.00 0.59 O ATOM 786 CB GLN A 53 0.269 -9.056 0.981 1.00 0.55 C ATOM 787 CG GLN A 53 -0.522 -10.375 0.975 1.00 0.67 C ATOM 788 CD GLN A 53 0.327 -11.564 0.542 1.00 1.17 C ATOM 789 OE1 GLN A 53 1.487 -11.690 0.918 1.00 2.51 O ATOM 790 NE2 GLN A 53 -0.250 -12.457 -0.253 1.00 1.20 N ATOM 0 H GLN A 53 -1.651 -8.436 2.332 1.00 0.40 H new ATOM 0 HA GLN A 53 1.013 -9.208 2.991 1.00 0.51 H new ATOM 0 HB2 GLN A 53 -0.247 -8.322 0.362 1.00 0.55 H new ATOM 0 HB3 GLN A 53 1.249 -9.219 0.532 1.00 0.55 H new ATOM 0 HG2 GLN A 53 -0.919 -10.561 1.973 1.00 0.67 H new ATOM 0 HG3 GLN A 53 -1.376 -10.279 0.305 1.00 0.67 H new ATOM 0 HE21 GLN A 53 -1.217 -12.326 -0.550 1.00 1.20 H new ATOM 0 HE22 GLN A 53 0.274 -13.274 -0.567 1.00 1.20 H new ATOM 799 N VAL A 54 0.593 -6.119 1.901 1.00 0.46 N ATOM 800 CA VAL A 54 1.078 -4.747 1.891 1.00 0.47 C ATOM 801 C VAL A 54 1.329 -4.243 3.321 1.00 0.49 C ATOM 802 O VAL A 54 2.232 -3.443 3.553 1.00 0.48 O ATOM 803 CB VAL A 54 0.069 -3.853 1.136 1.00 0.45 C ATOM 804 CG1 VAL A 54 0.675 -2.471 0.882 1.00 0.50 C ATOM 805 CG2 VAL A 54 -0.407 -4.523 -0.165 1.00 0.52 C ATOM 0 H VAL A 54 -0.337 -6.204 1.491 1.00 0.46 H new ATOM 0 HA VAL A 54 2.034 -4.705 1.370 1.00 0.47 H new ATOM 0 HB VAL A 54 -0.815 -3.721 1.760 1.00 0.45 H new ATOM 0 HG11 VAL A 54 -0.045 -1.850 0.349 1.00 0.50 H new ATOM 0 HG12 VAL A 54 0.924 -2.002 1.834 1.00 0.50 H new ATOM 0 HG13 VAL A 54 1.579 -2.575 0.281 1.00 0.50 H new ATOM 0 HG21 VAL A 54 -1.116 -3.869 -0.673 1.00 0.52 H new ATOM 0 HG22 VAL A 54 0.449 -4.705 -0.815 1.00 0.52 H new ATOM 0 HG23 VAL A 54 -0.892 -5.471 0.070 1.00 0.52 H new ATOM 815 N GLU A 55 0.528 -4.713 4.278 1.00 0.59 N ATOM 816 CA GLU A 55 0.597 -4.406 5.696 1.00 0.65 C ATOM 817 C GLU A 55 1.967 -4.863 6.190 1.00 0.51 C ATOM 818 O GLU A 55 2.736 -4.078 6.744 1.00 0.48 O ATOM 819 CB GLU A 55 -0.546 -5.133 6.425 1.00 0.85 C ATOM 820 CG GLU A 55 -1.164 -4.341 7.583 1.00 1.01 C ATOM 821 CD GLU A 55 -2.385 -5.069 8.141 1.00 2.27 C ATOM 822 OE1 GLU A 55 -3.191 -5.561 7.316 1.00 3.27 O ATOM 823 OE2 GLU A 55 -2.486 -5.149 9.382 1.00 2.92 O ATOM 0 H GLU A 55 -0.232 -5.358 4.064 1.00 0.59 H new ATOM 0 HA GLU A 55 0.481 -3.340 5.890 1.00 0.65 H new ATOM 0 HB2 GLU A 55 -1.329 -5.369 5.704 1.00 0.85 H new ATOM 0 HB3 GLU A 55 -0.170 -6.081 6.809 1.00 0.85 H new ATOM 0 HG2 GLU A 55 -0.424 -4.203 8.372 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -1.452 -3.348 7.239 1.00 1.01 H new ATOM 830 N GLN A 56 2.278 -6.139 5.925 1.00 0.49 N ATOM 831 CA GLN A 56 3.568 -6.730 6.246 1.00 0.45 C ATOM 832 C GLN A 56 4.686 -5.852 5.688 1.00 0.39 C ATOM 833 O GLN A 56 5.541 -5.409 6.451 1.00 0.44 O ATOM 834 CB GLN A 56 3.635 -8.180 5.736 1.00 0.50 C ATOM 835 CG GLN A 56 4.740 -9.022 6.394 1.00 0.58 C ATOM 836 CD GLN A 56 6.134 -8.821 5.798 1.00 1.92 C ATOM 837 OE1 GLN A 56 6.566 -9.599 4.955 1.00 3.01 O ATOM 838 NE2 GLN A 56 6.872 -7.805 6.236 1.00 3.15 N ATOM 0 H GLN A 56 1.631 -6.789 5.478 1.00 0.49 H new ATOM 0 HA GLN A 56 3.699 -6.776 7.327 1.00 0.45 H new ATOM 0 HB2 GLN A 56 2.673 -8.661 5.911 1.00 0.50 H new ATOM 0 HB3 GLN A 56 3.794 -8.168 4.658 1.00 0.50 H new ATOM 0 HG2 GLN A 56 4.776 -8.784 7.457 1.00 0.58 H new ATOM 0 HG3 GLN A 56 4.473 -10.076 6.313 1.00 0.58 H new ATOM 0 HE21 GLN A 56 6.496 -7.167 6.938 1.00 3.15 H new ATOM 0 HE22 GLN A 56 7.813 -7.664 5.870 1.00 3.15 H new ATOM 847 N ALA A 57 4.676 -5.585 4.378 1.00 0.42 N ATOM 848 CA ALA A 57 5.626 -4.688 3.740 1.00 0.42 C ATOM 849 C ALA A 57 5.739 -3.373 4.517 1.00 0.38 C ATOM 850 O ALA A 57 6.837 -2.954 4.882 1.00 0.39 O ATOM 851 CB ALA A 57 5.185 -4.457 2.290 1.00 0.50 C ATOM 0 H ALA A 57 4.000 -5.992 3.731 1.00 0.42 H new ATOM 0 HA ALA A 57 6.619 -5.137 3.740 1.00 0.42 H new ATOM 0 HB1 ALA A 57 5.889 -3.785 1.798 1.00 0.50 H new ATOM 0 HB2 ALA A 57 5.162 -5.410 1.761 1.00 0.50 H new ATOM 0 HB3 ALA A 57 4.190 -4.012 2.279 1.00 0.50 H new ATOM 857 N GLY A 58 4.603 -2.736 4.803 1.00 0.37 N ATOM 858 CA GLY A 58 4.533 -1.454 5.467 1.00 0.33 C ATOM 859 C GLY A 58 5.188 -1.454 6.842 1.00 0.28 C ATOM 860 O GLY A 58 5.504 -0.382 7.357 1.00 0.27 O ATOM 0 H GLY A 58 3.686 -3.116 4.569 1.00 0.37 H new ATOM 0 HA2 GLY A 58 5.015 -0.702 4.842 1.00 0.33 H new ATOM 0 HA3 GLY A 58 3.488 -1.162 5.569 1.00 0.33 H new ATOM 864 N ALA A 59 5.447 -2.631 7.426 1.00 0.32 N ATOM 865 CA ALA A 59 6.254 -2.748 8.629 1.00 0.33 C ATOM 866 C ALA A 59 7.591 -2.010 8.506 1.00 0.33 C ATOM 867 O ALA A 59 8.151 -1.658 9.539 1.00 0.40 O ATOM 868 CB ALA A 59 6.479 -4.216 8.997 1.00 0.48 C ATOM 0 H ALA A 59 5.100 -3.522 7.072 1.00 0.32 H new ATOM 0 HA ALA A 59 5.695 -2.270 9.433 1.00 0.33 H new ATOM 0 HB1 ALA A 59 7.086 -4.276 9.901 1.00 0.48 H new ATOM 0 HB2 ALA A 59 5.518 -4.699 9.173 1.00 0.48 H new ATOM 0 HB3 ALA A 59 6.994 -4.721 8.180 1.00 0.48 H new ATOM 874 N PHE A 60 8.097 -1.735 7.293 1.00 0.34 N ATOM 875 CA PHE A 60 9.291 -0.903 7.148 1.00 0.41 C ATOM 876 C PHE A 60 9.156 0.457 7.853 1.00 0.40 C ATOM 877 O PHE A 60 10.142 0.946 8.396 1.00 0.48 O ATOM 878 CB PHE A 60 9.749 -0.779 5.683 1.00 0.48 C ATOM 879 CG PHE A 60 8.936 0.104 4.743 1.00 0.41 C ATOM 880 CD1 PHE A 60 9.109 1.501 4.764 1.00 1.60 C ATOM 881 CD2 PHE A 60 8.212 -0.475 3.683 1.00 1.85 C ATOM 882 CE1 PHE A 60 8.513 2.310 3.779 1.00 1.71 C ATOM 883 CE2 PHE A 60 7.586 0.332 2.717 1.00 1.80 C ATOM 884 CZ PHE A 60 7.750 1.725 2.754 1.00 0.61 C ATOM 0 H PHE A 60 7.702 -2.072 6.415 1.00 0.34 H new ATOM 0 HA PHE A 60 10.093 -1.426 7.668 1.00 0.41 H new ATOM 0 HB2 PHE A 60 10.773 -0.407 5.686 1.00 0.48 H new ATOM 0 HB3 PHE A 60 9.775 -1.782 5.257 1.00 0.48 H new ATOM 0 HD1 PHE A 60 9.704 1.955 5.542 1.00 1.60 H new ATOM 0 HD2 PHE A 60 8.137 -1.550 3.611 1.00 1.85 H new ATOM 0 HE1 PHE A 60 8.642 3.382 3.811 1.00 1.71 H new ATOM 0 HE2 PHE A 60 6.979 -0.120 1.947 1.00 1.80 H new ATOM 0 HZ PHE A 60 7.292 2.345 1.998 1.00 0.61 H new ATOM 894 N GLU A 61 7.955 1.051 7.845 1.00 0.36 N ATOM 895 CA GLU A 61 7.654 2.334 8.492 1.00 0.38 C ATOM 896 C GLU A 61 6.536 2.216 9.545 1.00 0.37 C ATOM 897 O GLU A 61 6.276 3.175 10.266 1.00 0.52 O ATOM 898 CB GLU A 61 7.306 3.370 7.410 1.00 0.43 C ATOM 899 CG GLU A 61 8.514 4.196 6.945 1.00 1.22 C ATOM 900 CD GLU A 61 8.656 5.485 7.745 1.00 1.16 C ATOM 901 OE1 GLU A 61 7.788 6.363 7.545 1.00 1.84 O ATOM 902 OE2 GLU A 61 9.629 5.572 8.524 1.00 2.45 O ATOM 0 H GLU A 61 7.146 0.642 7.377 1.00 0.36 H new ATOM 0 HA GLU A 61 8.539 2.662 9.038 1.00 0.38 H new ATOM 0 HB2 GLU A 61 6.874 2.856 6.551 1.00 0.43 H new ATOM 0 HB3 GLU A 61 6.541 4.044 7.796 1.00 0.43 H new ATOM 0 HG2 GLU A 61 9.422 3.602 7.047 1.00 1.22 H new ATOM 0 HG3 GLU A 61 8.407 4.434 5.887 1.00 1.22 H new ATOM 909 N HIS A 62 5.873 1.058 9.648 1.00 0.29 N ATOM 910 CA HIS A 62 4.842 0.755 10.639 1.00 0.31 C ATOM 911 C HIS A 62 3.543 1.521 10.338 1.00 0.29 C ATOM 912 O HIS A 62 3.023 2.230 11.199 1.00 0.35 O ATOM 913 CB HIS A 62 5.334 1.018 12.080 1.00 0.39 C ATOM 914 CG HIS A 62 6.756 0.622 12.409 1.00 0.51 C ATOM 915 ND1 HIS A 62 7.514 -0.362 11.816 1.00 0.55 N ATOM 916 CD2 HIS A 62 7.545 1.224 13.354 1.00 0.79 C ATOM 917 CE1 HIS A 62 8.726 -0.352 12.395 1.00 0.82 C ATOM 918 NE2 HIS A 62 8.792 0.591 13.347 1.00 0.99 N ATOM 0 H HIS A 62 6.050 0.277 9.016 1.00 0.29 H new ATOM 0 HA HIS A 62 4.624 -0.311 10.567 1.00 0.31 H new ATOM 0 HB2 HIS A 62 5.224 2.083 12.285 1.00 0.39 H new ATOM 0 HB3 HIS A 62 4.670 0.491 12.765 1.00 0.39 H new ATOM 0 HD1 HIS A 62 7.210 -0.987 11.070 1.00 0.55 H new ATOM 0 HD2 HIS A 62 7.254 2.045 13.993 1.00 0.79 H new ATOM 0 HE1 HIS A 62 9.538 -1.014 12.130 1.00 0.82 H new ATOM 926 N LEU A 63 3.002 1.400 9.118 1.00 0.27 N ATOM 927 CA LEU A 63 1.837 2.208 8.740 1.00 0.29 C ATOM 928 C LEU A 63 0.554 1.643 9.345 1.00 0.31 C ATOM 929 O LEU A 63 0.535 0.489 9.769 1.00 0.44 O ATOM 930 CB LEU A 63 1.719 2.302 7.214 1.00 0.32 C ATOM 931 CG LEU A 63 2.681 3.321 6.597 1.00 0.36 C ATOM 932 CD1 LEU A 63 2.291 4.750 6.987 1.00 1.19 C ATOM 933 CD2 LEU A 63 4.145 3.045 6.940 1.00 1.14 C ATOM 0 H LEU A 63 3.342 0.768 8.393 1.00 0.27 H new ATOM 0 HA LEU A 63 1.981 3.212 9.139 1.00 0.29 H new ATOM 0 HB2 LEU A 63 1.912 1.321 6.780 1.00 0.32 H new ATOM 0 HB3 LEU A 63 0.696 2.572 6.951 1.00 0.32 H new ATOM 0 HG LEU A 63 2.589 3.215 5.516 1.00 0.36 H new ATOM 0 HD11 LEU A 63 2.990 5.454 6.536 1.00 1.19 H new ATOM 0 HD12 LEU A 63 1.283 4.962 6.631 1.00 1.19 H new ATOM 0 HD13 LEU A 63 2.322 4.852 8.072 1.00 1.19 H new ATOM 0 HD21 LEU A 63 4.777 3.801 6.474 1.00 1.14 H new ATOM 0 HD22 LEU A 63 4.278 3.078 8.021 1.00 1.14 H new ATOM 0 HD23 LEU A 63 4.426 2.059 6.570 1.00 1.14 H new ATOM 945 N LYS A 64 -0.529 2.436 9.358 1.00 0.37 N ATOM 946 CA LYS A 64 -1.832 1.958 9.762 1.00 0.34 C ATOM 947 C LYS A 64 -2.758 2.196 8.575 1.00 0.46 C ATOM 948 O LYS A 64 -2.971 3.341 8.172 1.00 1.01 O ATOM 949 CB LYS A 64 -2.248 2.594 11.099 1.00 0.35 C ATOM 950 CG LYS A 64 -2.156 4.120 11.249 1.00 0.45 C ATOM 951 CD LYS A 64 -3.452 4.778 10.766 1.00 1.97 C ATOM 952 CE LYS A 64 -3.985 5.852 11.735 1.00 2.86 C ATOM 953 NZ LYS A 64 -3.115 7.044 11.844 1.00 3.77 N ATOM 0 H LYS A 64 -0.512 3.419 9.088 1.00 0.37 H new ATOM 0 HA LYS A 64 -1.860 0.892 9.986 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -3.280 2.304 11.296 1.00 0.35 H new ATOM 0 HB3 LYS A 64 -1.636 2.147 11.882 1.00 0.35 H new ATOM 0 HG2 LYS A 64 -1.974 4.380 12.292 1.00 0.45 H new ATOM 0 HG3 LYS A 64 -1.311 4.499 10.674 1.00 0.45 H new ATOM 0 HD2 LYS A 64 -3.280 5.232 9.790 1.00 1.97 H new ATOM 0 HD3 LYS A 64 -4.213 4.010 10.631 1.00 1.97 H new ATOM 0 HE2 LYS A 64 -4.975 6.166 11.405 1.00 2.86 H new ATOM 0 HE3 LYS A 64 -4.104 5.409 12.724 1.00 2.86 H new ATOM 0 HZ1 LYS A 64 -3.117 7.386 12.826 1.00 3.77 H new ATOM 0 HZ2 LYS A 64 -2.145 6.792 11.567 1.00 3.77 H new ATOM 0 HZ3 LYS A 64 -3.471 7.792 11.216 1.00 3.77 H new ATOM 967 N ILE A 65 -3.220 1.104 7.960 1.00 0.26 N ATOM 968 CA ILE A 65 -4.117 1.123 6.817 1.00 0.25 C ATOM 969 C ILE A 65 -5.441 0.524 7.287 1.00 0.33 C ATOM 970 O ILE A 65 -5.435 -0.378 8.123 1.00 0.66 O ATOM 971 CB ILE A 65 -3.522 0.355 5.620 1.00 0.28 C ATOM 972 CG1 ILE A 65 -2.004 0.589 5.474 1.00 0.29 C ATOM 973 CG2 ILE A 65 -4.325 0.682 4.359 1.00 0.35 C ATOM 974 CD1 ILE A 65 -1.374 0.482 4.082 1.00 0.50 C ATOM 0 H ILE A 65 -2.970 0.161 8.256 1.00 0.26 H new ATOM 0 HA ILE A 65 -4.271 2.141 6.459 1.00 0.25 H new ATOM 0 HB ILE A 65 -3.613 -0.717 5.796 1.00 0.28 H new ATOM 0 HG12 ILE A 65 -1.784 1.584 5.861 1.00 0.29 H new ATOM 0 HG13 ILE A 65 -1.496 -0.124 6.123 1.00 0.29 H new ATOM 0 HG21 ILE A 65 -3.907 0.140 3.511 1.00 0.35 H new ATOM 0 HG22 ILE A 65 -5.364 0.385 4.502 1.00 0.35 H new ATOM 0 HG23 ILE A 65 -4.277 1.753 4.165 1.00 0.35 H new ATOM 0 HD11 ILE A 65 -0.303 0.674 4.152 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -1.538 -0.519 3.684 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -1.831 1.216 3.418 1.00 0.50 H new ATOM 986 N ILE A 66 -6.567 1.044 6.797 1.00 0.24 N ATOM 987 CA ILE A 66 -7.897 0.687 7.248 1.00 0.28 C ATOM 988 C ILE A 66 -8.700 0.321 5.998 1.00 0.25 C ATOM 989 O ILE A 66 -8.807 1.156 5.093 1.00 0.25 O ATOM 990 CB ILE A 66 -8.522 1.875 8.008 1.00 0.39 C ATOM 991 CG1 ILE A 66 -7.640 2.272 9.211 1.00 0.57 C ATOM 992 CG2 ILE A 66 -9.940 1.509 8.478 1.00 0.48 C ATOM 993 CD1 ILE A 66 -8.144 3.513 9.953 1.00 1.38 C ATOM 0 H ILE A 66 -6.570 1.744 6.055 1.00 0.24 H new ATOM 0 HA ILE A 66 -7.884 -0.157 7.938 1.00 0.28 H new ATOM 0 HB ILE A 66 -8.584 2.729 7.334 1.00 0.39 H new ATOM 0 HG12 ILE A 66 -7.592 1.436 9.908 1.00 0.57 H new ATOM 0 HG13 ILE A 66 -6.624 2.455 8.862 1.00 0.57 H new ATOM 0 HG21 ILE A 66 -10.375 2.353 9.014 1.00 0.48 H new ATOM 0 HG22 ILE A 66 -10.559 1.270 7.614 1.00 0.48 H new ATOM 0 HG23 ILE A 66 -9.892 0.645 9.140 1.00 0.48 H new ATOM 0 HD11 ILE A 66 -7.477 3.735 10.786 1.00 1.38 H new ATOM 0 HD12 ILE A 66 -8.165 4.362 9.270 1.00 1.38 H new ATOM 0 HD13 ILE A 66 -9.149 3.327 10.332 1.00 1.38 H new ATOM 1005 N PRO A 67 -9.267 -0.895 5.916 1.00 0.35 N ATOM 1006 CA PRO A 67 -10.216 -1.223 4.871 1.00 0.44 C ATOM 1007 C PRO A 67 -11.471 -0.383 5.092 1.00 0.52 C ATOM 1008 O PRO A 67 -12.182 -0.574 6.077 1.00 0.83 O ATOM 1009 CB PRO A 67 -10.491 -2.724 5.009 1.00 0.57 C ATOM 1010 CG PRO A 67 -10.218 -3.013 6.485 1.00 0.58 C ATOM 1011 CD PRO A 67 -9.146 -1.992 6.869 1.00 0.45 C ATOM 0 HA PRO A 67 -9.851 -1.010 3.866 1.00 0.44 H new ATOM 0 HB2 PRO A 67 -11.518 -2.969 4.737 1.00 0.57 H new ATOM 0 HB3 PRO A 67 -9.841 -3.311 4.360 1.00 0.57 H new ATOM 0 HG2 PRO A 67 -11.118 -2.893 7.088 1.00 0.58 H new ATOM 0 HG3 PRO A 67 -9.868 -4.035 6.634 1.00 0.58 H new ATOM 0 HD2 PRO A 67 -9.293 -1.639 7.890 1.00 0.45 H new ATOM 0 HD3 PRO A 67 -8.152 -2.437 6.826 1.00 0.45 H new ATOM 1019 N GLU A 68 -11.734 0.566 4.191 1.00 0.62 N ATOM 1020 CA GLU A 68 -13.007 1.266 4.180 1.00 0.85 C ATOM 1021 C GLU A 68 -14.175 0.269 4.114 1.00 1.31 C ATOM 1022 O GLU A 68 -14.068 -0.806 3.522 1.00 2.43 O ATOM 1023 CB GLU A 68 -13.052 2.303 3.045 1.00 1.23 C ATOM 1024 CG GLU A 68 -12.674 1.754 1.662 1.00 3.09 C ATOM 1025 CD GLU A 68 -12.972 2.781 0.572 1.00 3.58 C ATOM 1026 OE1 GLU A 68 -12.210 3.772 0.486 1.00 3.75 O ATOM 1027 OE2 GLU A 68 -13.985 2.579 -0.129 1.00 4.40 O ATOM 0 H GLU A 68 -11.081 0.862 3.465 1.00 0.62 H new ATOM 0 HA GLU A 68 -13.112 1.817 5.114 1.00 0.85 H new ATOM 0 HB2 GLU A 68 -14.057 2.722 2.993 1.00 1.23 H new ATOM 0 HB3 GLU A 68 -12.378 3.123 3.293 1.00 1.23 H new ATOM 0 HG2 GLU A 68 -11.615 1.496 1.645 1.00 3.09 H new ATOM 0 HG3 GLU A 68 -13.229 0.837 1.466 1.00 3.09 H new ATOM 1034 N LYS A 69 -15.294 0.628 4.746 1.00 1.71 N ATOM 1035 CA LYS A 69 -16.515 -0.151 4.756 1.00 2.23 C ATOM 1036 C LYS A 69 -17.657 0.844 4.942 1.00 3.08 C ATOM 1037 O LYS A 69 -17.540 1.741 5.775 1.00 4.05 O ATOM 1038 CB LYS A 69 -16.483 -1.158 5.920 1.00 2.90 C ATOM 1039 CG LYS A 69 -17.568 -2.240 5.795 1.00 3.50 C ATOM 1040 CD LYS A 69 -17.023 -3.450 5.021 1.00 3.54 C ATOM 1041 CE LYS A 69 -18.134 -4.420 4.592 1.00 4.20 C ATOM 1042 NZ LYS A 69 -18.868 -3.938 3.403 1.00 4.25 N ATOM 0 H LYS A 69 -15.369 1.495 5.278 1.00 1.71 H new ATOM 0 HA LYS A 69 -16.637 -0.718 3.833 1.00 2.23 H new ATOM 0 HB2 LYS A 69 -15.503 -1.634 5.957 1.00 2.90 H new ATOM 0 HB3 LYS A 69 -16.614 -0.624 6.861 1.00 2.90 H new ATOM 0 HG2 LYS A 69 -17.897 -2.551 6.786 1.00 3.50 H new ATOM 0 HG3 LYS A 69 -18.440 -1.834 5.282 1.00 3.50 H new ATOM 0 HD2 LYS A 69 -16.488 -3.102 4.138 1.00 3.54 H new ATOM 0 HD3 LYS A 69 -16.301 -3.980 5.642 1.00 3.54 H new ATOM 0 HE2 LYS A 69 -17.699 -5.396 4.377 1.00 4.20 H new ATOM 0 HE3 LYS A 69 -18.833 -4.557 5.417 1.00 4.20 H new ATOM 0 HZ1 LYS A 69 -19.619 -4.616 3.160 1.00 4.25 H new ATOM 0 HZ2 LYS A 69 -19.292 -3.011 3.609 1.00 4.25 H new ATOM 0 HZ3 LYS A 69 -18.211 -3.848 2.602 1.00 4.25 H new ATOM 1056 N GLU A 70 -18.742 0.675 4.186 1.00 3.47 N ATOM 1057 CA GLU A 70 -20.021 1.307 4.454 1.00 4.69 C ATOM 1058 C GLU A 70 -21.087 0.251 4.153 1.00 5.35 C ATOM 1059 O GLU A 70 -21.378 -0.014 2.989 1.00 5.63 O ATOM 1060 CB GLU A 70 -20.182 2.575 3.603 1.00 5.15 C ATOM 1061 CG GLU A 70 -21.279 3.479 4.180 1.00 6.57 C ATOM 1062 CD GLU A 70 -21.659 4.576 3.196 1.00 7.24 C ATOM 1063 OE1 GLU A 70 -22.546 4.299 2.362 1.00 7.72 O ATOM 1064 OE2 GLU A 70 -21.045 5.660 3.289 1.00 7.84 O ATOM 0 H GLU A 70 -18.750 0.082 3.356 1.00 3.47 H new ATOM 0 HA GLU A 70 -20.109 1.638 5.489 1.00 4.69 H new ATOM 0 HB2 GLU A 70 -19.237 3.118 3.568 1.00 5.15 H new ATOM 0 HB3 GLU A 70 -20.431 2.302 2.578 1.00 5.15 H new ATOM 0 HG2 GLU A 70 -22.158 2.881 4.420 1.00 6.57 H new ATOM 0 HG3 GLU A 70 -20.933 3.926 5.112 1.00 6.57 H new ATOM 1071 N ALA A 71 -21.569 -0.422 5.198 1.00 6.34 N ATOM 1072 CA ALA A 71 -22.565 -1.480 5.226 1.00 7.54 C ATOM 1073 C ALA A 71 -22.486 -2.048 6.643 1.00 8.36 C ATOM 1074 O ALA A 71 -21.597 -1.561 7.383 1.00 8.29 O ATOM 1075 CB ALA A 71 -22.283 -2.584 4.200 1.00 8.13 C ATOM 1076 OXT ALA A 71 -23.277 -2.965 6.945 1.00 9.51 O ATOM 0 H ALA A 71 -21.234 -0.214 6.139 1.00 6.34 H new ATOM 0 HA ALA A 71 -23.551 -1.091 4.971 1.00 7.54 H new ATOM 0 HB1 ALA A 71 -23.058 -3.348 4.265 1.00 8.13 H new ATOM 0 HB2 ALA A 71 -22.278 -2.156 3.197 1.00 8.13 H new ATOM 0 HB3 ALA A 71 -21.312 -3.034 4.407 1.00 8.13 H new TER 1082 ALA A 71