USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 Set 1.1: A 4 MET CE :methyl -177:sc= -0.463 (180deg=-0.493) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.111 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 147:sc= 2.45 (180deg=0.72) USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.57 (180deg=1.15!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -14:sc= 1.08 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.076) USER MOD Single : A 13 SER OG : rot 180:sc= -1.19 USER MOD Single : A 15 TYR OH : rot 6:sc= 0.45 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.0106 (180deg=-0.168) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0184 (180deg=-0.145) USER MOD Single : A 28 MET CE :methyl 158:sc= -0.257 (180deg=-1.01) USER MOD Single : A 30 ASN : amide:sc= -0.169 K(o=-0.17,f=-3.9!) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0.597 (180deg=-0.299) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.425 K(o=0.42,f=-1.4) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 169:sc= 0 (180deg=-0.217) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 1.15 (180deg=0.338) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.745 1.665 -2.312 1.00 0.00 N ATOM 2 CA MET A 1 2.283 0.762 -1.232 1.00 0.00 C ATOM 3 C MET A 1 2.212 -0.672 -1.748 1.00 0.00 C ATOM 4 O MET A 1 1.844 -0.905 -2.901 1.00 0.00 O ATOM 5 CB MET A 1 0.912 1.205 -0.704 1.00 0.00 C ATOM 6 CG MET A 1 0.899 2.609 -0.114 1.00 0.00 C ATOM 7 SD MET A 1 1.288 3.882 -1.333 1.00 0.00 S ATOM 8 CE MET A 1 1.174 5.367 -0.331 1.00 0.00 C ATOM 0 H1 MET A 1 2.553 2.652 -2.046 1.00 0.00 H new ATOM 0 H2 MET A 1 3.767 1.539 -2.457 1.00 0.00 H new ATOM 0 H3 MET A 1 2.240 1.439 -3.193 1.00 0.00 H new ATOM 0 HA MET A 1 2.997 0.809 -0.410 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.188 1.157 -1.518 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.582 0.499 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.083 2.810 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.619 2.662 0.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.389 6.240 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.168 5.452 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.895 5.312 0.484 1.00 0.00 H new ATOM 18 N LYS A 2 2.552 -1.632 -0.892 1.00 0.00 N ATOM 19 CA LYS A 2 2.673 -3.030 -1.307 1.00 0.00 C ATOM 20 C LYS A 2 1.729 -3.940 -0.518 1.00 0.00 C ATOM 21 O LYS A 2 1.694 -3.897 0.714 1.00 0.00 O ATOM 22 CB LYS A 2 4.125 -3.494 -1.123 1.00 0.00 C ATOM 23 CG LYS A 2 4.368 -4.948 -1.515 1.00 0.00 C ATOM 24 CD LYS A 2 5.837 -5.343 -1.373 1.00 0.00 C ATOM 25 CE LYS A 2 6.737 -4.514 -2.283 1.00 0.00 C ATOM 26 NZ LYS A 2 8.161 -4.914 -2.169 1.00 0.00 N ATOM 0 H LYS A 2 2.749 -1.469 0.095 1.00 0.00 H new ATOM 0 HA LYS A 2 2.392 -3.097 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.778 -2.855 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.409 -3.358 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.756 -5.599 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.049 -5.103 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.150 -5.214 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.954 -6.400 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.410 -4.627 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.635 -3.459 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.739 -4.326 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.481 -4.782 -1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.263 -5.914 -2.435 1.00 0.00 H new ATOM 40 N VAL A 3 0.971 -4.767 -1.241 1.00 0.00 N ATOM 41 CA VAL A 3 0.101 -5.771 -0.629 1.00 0.00 C ATOM 42 C VAL A 3 0.053 -7.027 -1.503 1.00 0.00 C ATOM 43 O VAL A 3 0.081 -6.937 -2.731 1.00 0.00 O ATOM 44 CB VAL A 3 -1.340 -5.231 -0.412 1.00 0.00 C ATOM 45 CG1 VAL A 3 -2.019 -4.915 -1.745 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.177 -6.214 0.408 1.00 0.00 C ATOM 0 H VAL A 3 0.943 -4.759 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 3 0.519 -6.016 0.347 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.264 -4.301 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.025 -4.539 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.441 -4.159 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.075 -5.821 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.181 -5.811 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.237 -7.167 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.711 -6.365 1.382 1.00 0.00 H new ATOM 56 N MET A 4 0.003 -8.195 -0.870 1.00 0.00 N ATOM 57 CA MET A 4 -0.096 -9.462 -1.593 1.00 0.00 C ATOM 58 C MET A 4 -1.452 -10.107 -1.333 1.00 0.00 C ATOM 59 O MET A 4 -1.795 -10.399 -0.188 1.00 0.00 O ATOM 60 CB MET A 4 1.026 -10.424 -1.169 1.00 0.00 C ATOM 61 CG MET A 4 0.956 -11.787 -1.853 1.00 0.00 C ATOM 62 SD MET A 4 2.246 -12.921 -1.301 1.00 0.00 S ATOM 63 CE MET A 4 3.726 -12.046 -1.810 1.00 0.00 C ATOM 0 H MET A 4 0.029 -8.292 0.145 1.00 0.00 H new ATOM 0 HA MET A 4 0.009 -9.256 -2.658 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.989 -9.965 -1.391 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.982 -10.566 -0.089 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.019 -12.234 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.037 -11.651 -2.931 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.603 -12.652 -1.582 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.685 -11.855 -2.882 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.791 -11.098 -1.275 1.00 0.00 H new ATOM 73 N ILE A 5 -2.223 -10.318 -2.393 1.00 0.00 N ATOM 74 CA ILE A 5 -3.526 -10.962 -2.278 1.00 0.00 C ATOM 75 C ILE A 5 -3.371 -12.474 -2.420 1.00 0.00 C ATOM 76 O ILE A 5 -2.951 -12.970 -3.469 1.00 0.00 O ATOM 77 CB ILE A 5 -4.520 -10.434 -3.345 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.684 -8.906 -3.218 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.875 -11.136 -3.220 1.00 0.00 C ATOM 80 CD1 ILE A 5 -5.221 -8.448 -1.877 1.00 0.00 C ATOM 0 H ILE A 5 -1.968 -10.052 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.931 -10.724 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.114 -10.656 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.717 -8.433 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.354 -8.557 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.556 -10.750 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.744 -12.209 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.291 -10.950 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.306 -7.361 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.203 -8.890 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.541 -8.763 -1.086 1.00 0.00 H new ATOM 92 N ARG A 6 -3.692 -13.196 -1.355 1.00 0.00 N ATOM 93 CA ARG A 6 -3.550 -14.648 -1.324 1.00 0.00 C ATOM 94 C ARG A 6 -4.885 -15.321 -1.629 1.00 0.00 C ATOM 95 O ARG A 6 -5.950 -14.781 -1.314 1.00 0.00 O ATOM 96 CB ARG A 6 -3.042 -15.103 0.050 1.00 0.00 C ATOM 97 CG ARG A 6 -1.735 -14.441 0.482 1.00 0.00 C ATOM 98 CD ARG A 6 -1.247 -14.983 1.821 1.00 0.00 C ATOM 99 NE ARG A 6 -1.029 -16.430 1.769 1.00 0.00 N ATOM 100 CZ ARG A 6 -0.765 -17.195 2.827 1.00 0.00 C ATOM 101 NH1 ARG A 6 -0.646 -16.658 4.037 1.00 0.00 N ATOM 102 NH2 ARG A 6 -0.619 -18.505 2.675 1.00 0.00 N ATOM 0 H ARG A 6 -4.057 -12.795 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.826 -14.939 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.808 -14.892 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.901 -16.184 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.973 -14.609 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.880 -13.363 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.319 -14.484 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.978 -14.752 2.596 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.083 -16.885 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.757 -15.652 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.444 -17.252 4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.709 -18.924 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.417 -19.093 3.484 1.00 0.00 H new ATOM 116 N LYS A 7 -4.825 -16.500 -2.245 1.00 0.00 N ATOM 117 CA LYS A 7 -6.027 -17.253 -2.594 1.00 0.00 C ATOM 118 C LYS A 7 -5.880 -18.722 -2.205 1.00 0.00 C ATOM 119 O LYS A 7 -4.775 -19.270 -2.204 1.00 0.00 O ATOM 120 CB LYS A 7 -6.319 -17.166 -4.100 1.00 0.00 C ATOM 121 CG LYS A 7 -6.432 -15.748 -4.655 1.00 0.00 C ATOM 122 CD LYS A 7 -6.871 -15.756 -6.119 1.00 0.00 C ATOM 123 CE LYS A 7 -5.969 -16.634 -6.982 1.00 0.00 C ATOM 124 NZ LYS A 7 -6.474 -16.749 -8.374 1.00 0.00 N ATOM 0 H LYS A 7 -3.953 -16.956 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.855 -16.810 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.529 -17.689 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.249 -17.696 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.148 -15.179 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.471 -15.242 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.898 -16.114 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.862 -14.737 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.962 -16.217 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.898 -17.627 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.670 -16.831 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.075 -17.594 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.030 -15.903 -8.612 1.00 0.00 H new ATOM 138 N THR A 8 -7.006 -19.336 -1.873 1.00 0.00 N ATOM 139 CA THR A 8 -7.098 -20.772 -1.641 1.00 0.00 C ATOM 140 C THR A 8 -8.437 -21.260 -2.195 1.00 0.00 C ATOM 141 O THR A 8 -9.100 -20.523 -2.929 1.00 0.00 O ATOM 142 CB THR A 8 -6.986 -21.120 -0.131 1.00 0.00 C ATOM 143 OG1 THR A 8 -7.891 -20.310 0.632 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.562 -20.920 0.385 1.00 0.00 C ATOM 0 H THR A 8 -7.893 -18.846 -1.755 1.00 0.00 H new ATOM 0 HA THR A 8 -6.268 -21.267 -2.146 1.00 0.00 H new ATOM 0 HB THR A 8 -7.248 -22.172 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.210 -19.566 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.520 -21.173 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.880 -21.565 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.268 -19.879 0.248 1.00 0.00 H new ATOM 152 N ALA A 9 -8.829 -22.488 -1.869 1.00 0.00 N ATOM 153 CA ALA A 9 -10.130 -23.008 -2.285 1.00 0.00 C ATOM 154 C ALA A 9 -11.258 -22.127 -1.736 1.00 0.00 C ATOM 155 O ALA A 9 -11.721 -22.331 -0.612 1.00 0.00 O ATOM 156 CB ALA A 9 -10.298 -24.452 -1.831 1.00 0.00 C ATOM 0 H ALA A 9 -8.268 -23.140 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.181 -22.988 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.272 -24.823 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.514 -25.066 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.228 -24.502 -0.744 1.00 0.00 H new ATOM 162 N THR A 10 -11.645 -21.121 -2.525 1.00 0.00 N ATOM 163 CA THR A 10 -12.670 -20.135 -2.150 1.00 0.00 C ATOM 164 C THR A 10 -12.135 -19.121 -1.129 1.00 0.00 C ATOM 165 O THR A 10 -12.410 -17.925 -1.232 1.00 0.00 O ATOM 166 CB THR A 10 -13.960 -20.802 -1.610 1.00 0.00 C ATOM 167 OG1 THR A 10 -14.499 -21.682 -2.606 1.00 0.00 O ATOM 168 CG2 THR A 10 -15.011 -19.762 -1.230 1.00 0.00 C ATOM 0 H THR A 10 -11.253 -20.964 -3.453 1.00 0.00 H new ATOM 0 HA THR A 10 -12.927 -19.603 -3.066 1.00 0.00 H new ATOM 0 HB THR A 10 -13.698 -21.364 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.314 -22.105 -2.263 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.902 -20.265 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.612 -19.107 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.271 -19.170 -2.107 1.00 0.00 H new ATOM 176 N GLY A 11 -11.369 -19.601 -0.153 1.00 0.00 N ATOM 177 CA GLY A 11 -10.813 -18.727 0.863 1.00 0.00 C ATOM 178 C GLY A 11 -9.872 -17.688 0.281 1.00 0.00 C ATOM 179 O GLY A 11 -8.861 -18.027 -0.337 1.00 0.00 O ATOM 0 H GLY A 11 -11.123 -20.585 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.624 -18.224 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.278 -19.326 1.600 1.00 0.00 H new ATOM 183 N HIS A 12 -10.219 -16.423 0.455 1.00 0.00 N ATOM 184 CA HIS A 12 -9.385 -15.319 -0.003 1.00 0.00 C ATOM 185 C HIS A 12 -8.793 -14.598 1.205 1.00 0.00 C ATOM 186 O HIS A 12 -9.421 -14.542 2.267 1.00 0.00 O ATOM 187 CB HIS A 12 -10.214 -14.338 -0.844 1.00 0.00 C ATOM 188 CG HIS A 12 -11.010 -14.987 -1.940 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.387 -14.986 -1.967 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.616 -15.641 -3.060 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.806 -15.610 -3.051 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.752 -16.017 -3.733 1.00 0.00 N ATOM 0 H HIS A 12 -11.082 -16.131 0.915 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.580 -15.712 -0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.895 -13.799 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.545 -13.599 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.598 -15.831 -3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.837 -15.762 -3.333 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.777 -16.527 -4.616 1.00 0.00 H new ATOM 201 N SER A 13 -7.590 -14.058 1.052 1.00 0.00 N ATOM 202 CA SER A 13 -6.942 -13.313 2.126 1.00 0.00 C ATOM 203 C SER A 13 -6.012 -12.244 1.556 1.00 0.00 C ATOM 204 O SER A 13 -5.627 -12.301 0.387 1.00 0.00 O ATOM 205 CB SER A 13 -6.180 -14.272 3.055 1.00 0.00 C ATOM 206 OG SER A 13 -5.366 -15.175 2.320 1.00 0.00 O ATOM 0 H SER A 13 -7.042 -14.122 0.194 1.00 0.00 H new ATOM 0 HA SER A 13 -7.709 -12.808 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.558 -13.697 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.891 -14.833 3.662 1.00 0.00 H new ATOM 0 HG SER A 13 -4.894 -15.769 2.940 1.00 0.00 H new ATOM 212 N ALA A 14 -5.671 -11.260 2.380 1.00 0.00 N ATOM 213 CA ALA A 14 -4.788 -10.172 1.970 1.00 0.00 C ATOM 214 C ALA A 14 -3.670 -9.995 2.988 1.00 0.00 C ATOM 215 O ALA A 14 -3.925 -9.927 4.193 1.00 0.00 O ATOM 216 CB ALA A 14 -5.582 -8.880 1.809 1.00 0.00 C ATOM 0 H ALA A 14 -5.996 -11.193 3.345 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.342 -10.421 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.912 -8.077 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.352 -9.018 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.050 -8.620 2.758 1.00 0.00 H new ATOM 222 N TYR A 15 -2.436 -9.926 2.498 1.00 0.00 N ATOM 223 CA TYR A 15 -1.264 -9.811 3.356 1.00 0.00 C ATOM 224 C TYR A 15 -0.486 -8.529 3.052 1.00 0.00 C ATOM 225 O TYR A 15 0.197 -8.428 2.028 1.00 0.00 O ATOM 226 CB TYR A 15 -0.357 -11.041 3.184 1.00 0.00 C ATOM 227 CG TYR A 15 0.886 -11.024 4.062 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.792 -10.779 5.427 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.150 -11.252 3.527 1.00 0.00 C ATOM 230 CE1 TYR A 15 1.914 -10.762 6.231 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.278 -11.239 4.328 1.00 0.00 C ATOM 232 CZ TYR A 15 3.153 -10.994 5.678 1.00 0.00 C ATOM 233 OH TYR A 15 4.274 -10.974 6.480 1.00 0.00 O ATOM 0 H TYR A 15 -2.222 -9.948 1.501 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.602 -9.764 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.934 -11.939 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.051 -11.110 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.178 -10.598 5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.252 -11.442 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.820 -10.568 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.252 -11.420 3.897 1.00 0.00 H new ATOM 0 HH TYR A 15 4.004 -10.879 7.417 1.00 0.00 H new ATOM 243 N VAL A 16 -0.616 -7.545 3.938 1.00 0.00 N ATOM 244 CA VAL A 16 0.168 -6.320 3.859 1.00 0.00 C ATOM 245 C VAL A 16 1.561 -6.580 4.429 1.00 0.00 C ATOM 246 O VAL A 16 1.791 -6.441 5.634 1.00 0.00 O ATOM 247 CB VAL A 16 -0.508 -5.154 4.628 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.284 -3.857 4.464 1.00 0.00 C ATOM 249 CG2 VAL A 16 -1.955 -4.973 4.168 1.00 0.00 C ATOM 0 H VAL A 16 -1.264 -7.575 4.725 1.00 0.00 H new ATOM 0 HA VAL A 16 0.238 -6.025 2.812 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.517 -5.407 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.212 -3.056 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.292 -3.995 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.337 -3.594 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.412 -4.151 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.972 -4.749 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.514 -5.890 4.355 1.00 0.00 H new ATOM 259 N ALA A 17 2.473 -6.988 3.548 1.00 0.00 N ATOM 260 CA ALA A 17 3.816 -7.429 3.935 1.00 0.00 C ATOM 261 C ALA A 17 4.519 -6.436 4.862 1.00 0.00 C ATOM 262 O ALA A 17 5.048 -6.823 5.904 1.00 0.00 O ATOM 263 CB ALA A 17 4.658 -7.682 2.688 1.00 0.00 C ATOM 0 H ALA A 17 2.303 -7.023 2.543 1.00 0.00 H new ATOM 0 HA ALA A 17 3.704 -8.356 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.655 -8.009 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.187 -8.455 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.735 -6.762 2.108 1.00 0.00 H new ATOM 269 N LYS A 18 4.503 -5.157 4.494 1.00 0.00 N ATOM 270 CA LYS A 18 5.242 -4.132 5.237 1.00 0.00 C ATOM 271 C LYS A 18 4.737 -4.005 6.680 1.00 0.00 C ATOM 272 O LYS A 18 5.462 -3.539 7.562 1.00 0.00 O ATOM 273 CB LYS A 18 5.173 -2.778 4.498 1.00 0.00 C ATOM 274 CG LYS A 18 3.779 -2.139 4.409 1.00 0.00 C ATOM 275 CD LYS A 18 3.422 -1.342 5.669 1.00 0.00 C ATOM 276 CE LYS A 18 2.102 -0.593 5.527 1.00 0.00 C ATOM 277 NZ LYS A 18 2.167 0.464 4.484 1.00 0.00 N ATOM 0 H LYS A 18 3.988 -4.803 3.688 1.00 0.00 H new ATOM 0 HA LYS A 18 6.286 -4.442 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.842 -2.078 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.554 -2.917 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.739 -1.480 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.034 -2.919 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.362 -2.020 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.219 -0.630 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.310 -1.299 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.837 -0.142 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.339 1.087 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.035 1.023 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.173 0.023 3.542 1.00 0.00 H new ATOM 291 N LYS A 19 3.495 -4.422 6.916 1.00 0.00 N ATOM 292 CA LYS A 19 2.887 -4.317 8.243 1.00 0.00 C ATOM 293 C LYS A 19 2.769 -5.696 8.894 1.00 0.00 C ATOM 294 O LYS A 19 2.571 -5.801 10.109 1.00 0.00 O ATOM 295 CB LYS A 19 1.497 -3.664 8.142 1.00 0.00 C ATOM 296 CG LYS A 19 0.867 -3.346 9.497 1.00 0.00 C ATOM 297 CD LYS A 19 -0.554 -2.807 9.358 1.00 0.00 C ATOM 298 CE LYS A 19 -1.149 -2.419 10.711 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.193 -3.566 11.659 1.00 0.00 N ATOM 0 H LYS A 19 2.889 -4.836 6.207 1.00 0.00 H new ATOM 0 HA LYS A 19 3.529 -3.693 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.579 -2.743 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.833 -4.328 7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.854 -4.247 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.482 -2.614 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.550 -1.938 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.184 -3.561 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.559 -1.613 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.158 -2.033 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.739 -3.298 12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.646 -4.381 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.225 -3.821 11.940 1.00 0.00 H new ATOM 313 N ASP A 20 2.902 -6.744 8.077 1.00 0.00 N ATOM 314 CA ASP A 20 2.722 -8.131 8.526 1.00 0.00 C ATOM 315 C ASP A 20 1.242 -8.395 8.836 1.00 0.00 C ATOM 316 O ASP A 20 0.888 -9.328 9.557 1.00 0.00 O ATOM 317 CB ASP A 20 3.621 -8.433 9.742 1.00 0.00 C ATOM 318 CG ASP A 20 3.531 -9.876 10.220 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.887 -10.790 9.445 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.107 -10.103 11.375 1.00 0.00 O ATOM 0 H ASP A 20 3.137 -6.658 7.088 1.00 0.00 H new ATOM 0 HA ASP A 20 3.025 -8.805 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.656 -8.208 9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.345 -7.769 10.561 1.00 0.00 H new ATOM 325 N LEU A 21 0.377 -7.576 8.243 1.00 0.00 N ATOM 326 CA LEU A 21 -1.067 -7.712 8.419 1.00 0.00 C ATOM 327 C LEU A 21 -1.596 -8.754 7.440 1.00 0.00 C ATOM 328 O LEU A 21 -1.408 -8.620 6.233 1.00 0.00 O ATOM 329 CB LEU A 21 -1.759 -6.349 8.185 1.00 0.00 C ATOM 330 CG LEU A 21 -3.255 -6.243 8.578 1.00 0.00 C ATOM 331 CD1 LEU A 21 -3.730 -4.793 8.488 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.145 -7.124 7.701 1.00 0.00 C ATOM 0 H LEU A 21 0.653 -6.807 7.633 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.283 -8.036 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.208 -5.590 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.668 -6.100 7.128 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.339 -6.596 9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.782 -4.737 8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.141 -4.175 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.606 -4.432 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.184 -7.017 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.046 -6.819 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.841 -8.166 7.804 1.00 0.00 H new ATOM 344 N GLU A 22 -2.253 -9.785 7.958 1.00 0.00 N ATOM 345 CA GLU A 22 -2.911 -10.780 7.114 1.00 0.00 C ATOM 346 C GLU A 22 -4.310 -11.066 7.651 1.00 0.00 C ATOM 347 O GLU A 22 -4.466 -11.547 8.780 1.00 0.00 O ATOM 348 CB GLU A 22 -2.093 -12.078 7.040 1.00 0.00 C ATOM 349 CG GLU A 22 -2.617 -13.069 6.003 1.00 0.00 C ATOM 350 CD GLU A 22 -1.743 -14.307 5.866 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.645 -14.204 5.278 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.153 -15.391 6.332 1.00 0.00 O ATOM 0 H GLU A 22 -2.345 -9.956 8.959 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.986 -10.377 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.057 -11.833 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.094 -12.555 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.627 -13.373 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.686 -12.571 5.036 1.00 0.00 H new ATOM 359 N GLU A 23 -5.327 -10.755 6.853 1.00 0.00 N ATOM 360 CA GLU A 23 -6.710 -10.995 7.247 1.00 0.00 C ATOM 361 C GLU A 23 -7.476 -11.652 6.106 1.00 0.00 C ATOM 362 O GLU A 23 -7.086 -11.549 4.939 1.00 0.00 O ATOM 363 CB GLU A 23 -7.406 -9.685 7.650 1.00 0.00 C ATOM 364 CG GLU A 23 -8.725 -9.886 8.400 1.00 0.00 C ATOM 365 CD GLU A 23 -8.589 -10.785 9.621 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.687 -12.023 9.470 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.397 -10.260 10.735 1.00 0.00 O ATOM 0 H GLU A 23 -5.219 -10.336 5.929 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.702 -11.662 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.729 -9.104 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.596 -9.096 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.109 -8.915 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.460 -10.316 7.720 1.00 0.00 H new ATOM 374 N LEU A 24 -8.564 -12.324 6.457 1.00 0.00 N ATOM 375 CA LEU A 24 -9.418 -12.982 5.478 1.00 0.00 C ATOM 376 C LEU A 24 -10.291 -11.958 4.759 1.00 0.00 C ATOM 377 O LEU A 24 -10.774 -11.002 5.370 1.00 0.00 O ATOM 378 CB LEU A 24 -10.300 -14.029 6.171 1.00 0.00 C ATOM 379 CG LEU A 24 -9.540 -15.110 6.955 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.514 -16.059 7.646 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.591 -15.879 6.037 1.00 0.00 C ATOM 0 H LEU A 24 -8.878 -12.428 7.422 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.786 -13.479 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.977 -13.516 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.918 -14.517 5.417 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.943 -14.618 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.956 -16.817 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.141 -15.497 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.143 -16.543 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.064 -16.639 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.162 -16.358 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.869 -15.189 5.600 1.00 0.00 H new ATOM 393 N ILE A 25 -10.472 -12.154 3.462 1.00 0.00 N ATOM 394 CA ILE A 25 -11.344 -11.308 2.660 1.00 0.00 C ATOM 395 C ILE A 25 -12.791 -11.783 2.792 1.00 0.00 C ATOM 396 O ILE A 25 -13.120 -12.897 2.384 1.00 0.00 O ATOM 397 CB ILE A 25 -10.911 -11.329 1.172 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.553 -10.619 1.000 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.981 -10.701 0.280 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.027 -10.627 -0.424 1.00 0.00 C ATOM 0 H ILE A 25 -10.020 -12.902 2.936 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.267 -10.284 3.025 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.795 -12.367 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.650 -9.586 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.820 -11.097 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.651 -10.729 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.912 -11.259 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.144 -9.666 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.069 -10.108 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.896 -11.656 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.738 -10.122 -1.077 1.00 0.00 H new ATOM 412 N VAL A 26 -13.645 -10.948 3.377 1.00 0.00 N ATOM 413 CA VAL A 26 -15.046 -11.312 3.595 1.00 0.00 C ATOM 414 C VAL A 26 -15.969 -10.655 2.568 1.00 0.00 C ATOM 415 O VAL A 26 -16.853 -11.308 2.012 1.00 0.00 O ATOM 416 CB VAL A 26 -15.518 -10.951 5.030 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.825 -11.842 6.059 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.272 -9.473 5.339 1.00 0.00 C ATOM 0 H VAL A 26 -13.395 -10.017 3.709 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.105 -12.393 3.472 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.592 -11.127 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.167 -11.576 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.067 -12.886 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.746 -11.701 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.613 -9.251 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.207 -9.257 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.821 -8.856 4.628 1.00 0.00 H new ATOM 428 N GLU A 27 -15.758 -9.368 2.308 1.00 0.00 N ATOM 429 CA GLU A 27 -16.613 -8.620 1.388 1.00 0.00 C ATOM 430 C GLU A 27 -15.784 -7.886 0.348 1.00 0.00 C ATOM 431 O GLU A 27 -14.874 -7.132 0.688 1.00 0.00 O ATOM 432 CB GLU A 27 -17.481 -7.612 2.154 1.00 0.00 C ATOM 433 CG GLU A 27 -18.570 -8.252 3.004 1.00 0.00 C ATOM 434 CD GLU A 27 -19.558 -9.069 2.182 1.00 0.00 C ATOM 435 OE1 GLU A 27 -20.009 -8.585 1.121 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.893 -10.202 2.593 1.00 0.00 O ATOM 0 H GLU A 27 -15.003 -8.820 2.721 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.258 -9.337 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.839 -7.010 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.945 -6.931 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.108 -8.895 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -19.109 -7.473 3.542 1.00 0.00 H new ATOM 443 N MET A 28 -16.100 -8.121 -0.917 1.00 0.00 N ATOM 444 CA MET A 28 -15.478 -7.400 -2.019 1.00 0.00 C ATOM 445 C MET A 28 -16.520 -6.498 -2.671 1.00 0.00 C ATOM 446 O MET A 28 -17.718 -6.614 -2.388 1.00 0.00 O ATOM 447 CB MET A 28 -14.912 -8.375 -3.066 1.00 0.00 C ATOM 448 CG MET A 28 -14.027 -9.477 -2.495 1.00 0.00 C ATOM 449 SD MET A 28 -14.948 -10.664 -1.493 1.00 0.00 S ATOM 450 CE MET A 28 -16.117 -11.287 -2.702 1.00 0.00 C ATOM 0 H MET A 28 -16.791 -8.813 -1.208 1.00 0.00 H new ATOM 0 HA MET A 28 -14.653 -6.804 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.743 -8.835 -3.601 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.337 -7.808 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.536 -10.003 -3.314 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.241 -9.028 -1.888 1.00 0.00 H new ATOM 0 HE1 MET A 28 -16.482 -12.264 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.956 -10.596 -2.786 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.625 -11.379 -3.670 1.00 0.00 H new ATOM 460 N GLU A 29 -16.068 -5.592 -3.525 1.00 0.00 N ATOM 461 CA GLU A 29 -16.974 -4.764 -4.317 1.00 0.00 C ATOM 462 C GLU A 29 -17.381 -5.523 -5.581 1.00 0.00 C ATOM 463 O GLU A 29 -18.287 -5.118 -6.310 1.00 0.00 O ATOM 464 CB GLU A 29 -16.298 -3.429 -4.661 1.00 0.00 C ATOM 465 CG GLU A 29 -17.182 -2.451 -5.433 1.00 0.00 C ATOM 466 CD GLU A 29 -16.606 -1.043 -5.468 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.393 -0.893 -5.717 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.362 -0.079 -5.233 1.00 0.00 O ATOM 0 H GLU A 29 -15.078 -5.409 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.873 -4.545 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.972 -2.952 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.402 -3.631 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.312 -2.812 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.171 -2.423 -4.977 1.00 0.00 H new ATOM 475 N ASN A 30 -16.699 -6.641 -5.816 1.00 0.00 N ATOM 476 CA ASN A 30 -16.983 -7.516 -6.949 1.00 0.00 C ATOM 477 C ASN A 30 -17.177 -8.947 -6.446 1.00 0.00 C ATOM 478 O ASN A 30 -16.483 -9.374 -5.522 1.00 0.00 O ATOM 479 CB ASN A 30 -15.833 -7.461 -7.967 1.00 0.00 C ATOM 480 CG ASN A 30 -15.587 -6.057 -8.500 1.00 0.00 C ATOM 481 OD1 ASN A 30 -14.817 -5.287 -7.921 1.00 0.00 O ATOM 482 ND2 ASN A 30 -16.238 -5.712 -9.602 1.00 0.00 N ATOM 0 H ASN A 30 -15.933 -6.966 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.894 -7.180 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.921 -7.833 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.058 -8.127 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.110 -4.781 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.867 -6.377 -10.052 1.00 0.00 H new ATOM 489 N PRO A 31 -18.120 -9.706 -7.039 1.00 0.00 N ATOM 490 CA PRO A 31 -18.444 -11.071 -6.590 1.00 0.00 C ATOM 491 C PRO A 31 -17.226 -11.999 -6.591 1.00 0.00 C ATOM 492 O PRO A 31 -17.081 -12.850 -5.708 1.00 0.00 O ATOM 493 CB PRO A 31 -19.498 -11.553 -7.605 1.00 0.00 C ATOM 494 CG PRO A 31 -19.381 -10.619 -8.765 1.00 0.00 C ATOM 495 CD PRO A 31 -18.949 -9.301 -8.188 1.00 0.00 C ATOM 0 HA PRO A 31 -18.798 -11.079 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.310 -12.583 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.500 -11.525 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.654 -10.985 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.333 -10.524 -9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.382 -8.710 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.801 -8.696 -7.879 1.00 0.00 H new ATOM 503 N ALA A 32 -16.356 -11.828 -7.584 1.00 0.00 N ATOM 504 CA ALA A 32 -15.157 -12.652 -7.708 1.00 0.00 C ATOM 505 C ALA A 32 -14.122 -12.271 -6.650 1.00 0.00 C ATOM 506 O ALA A 32 -13.882 -13.027 -5.705 1.00 0.00 O ATOM 507 CB ALA A 32 -14.562 -12.526 -9.107 1.00 0.00 C ATOM 0 H ALA A 32 -16.460 -11.125 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.442 -13.691 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.669 -13.147 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.294 -12.855 -9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.297 -11.486 -9.297 1.00 0.00 H new ATOM 513 N LEU A 33 -13.521 -11.090 -6.815 1.00 0.00 N ATOM 514 CA LEU A 33 -12.487 -10.606 -5.900 1.00 0.00 C ATOM 515 C LEU A 33 -11.974 -9.251 -6.383 1.00 0.00 C ATOM 516 O LEU A 33 -12.164 -8.228 -5.727 1.00 0.00 O ATOM 517 CB LEU A 33 -11.314 -11.614 -5.821 1.00 0.00 C ATOM 518 CG LEU A 33 -10.462 -11.579 -4.532 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.372 -12.646 -4.584 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.842 -10.200 -4.293 1.00 0.00 C ATOM 0 H LEU A 33 -13.735 -10.449 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.919 -10.500 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.719 -12.619 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.655 -11.438 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.129 -11.789 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.781 -12.608 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.831 -13.630 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.725 -12.463 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.252 -10.220 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.199 -9.940 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.634 -9.457 -4.198 1.00 0.00 H new ATOM 532 N TRP A 34 -11.332 -9.265 -7.545 1.00 0.00 N ATOM 533 CA TRP A 34 -10.682 -8.082 -8.093 1.00 0.00 C ATOM 534 C TRP A 34 -11.677 -7.201 -8.839 1.00 0.00 C ATOM 535 O TRP A 34 -12.730 -7.669 -9.277 1.00 0.00 O ATOM 536 CB TRP A 34 -9.552 -8.496 -9.041 1.00 0.00 C ATOM 537 CG TRP A 34 -8.495 -9.335 -8.387 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.542 -10.679 -8.152 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.229 -8.886 -7.893 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.386 -11.091 -7.539 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.564 -10.010 -7.371 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.594 -7.643 -7.843 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.296 -9.927 -6.807 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.336 -7.561 -7.282 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.697 -8.697 -6.771 1.00 0.00 C ATOM 0 H TRP A 34 -11.248 -10.095 -8.132 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.271 -7.509 -7.261 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.977 -9.050 -9.879 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.089 -7.600 -9.453 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.369 -11.324 -8.411 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.174 -12.047 -7.255 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.079 -6.762 -8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.801 -10.802 -6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.836 -6.605 -7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.712 -8.601 -6.340 1.00 0.00 H new ATOM 556 N GLY A 35 -11.326 -5.929 -8.990 1.00 0.00 N ATOM 557 CA GLY A 35 -12.172 -4.987 -9.697 1.00 0.00 C ATOM 558 C GLY A 35 -12.167 -3.637 -9.016 1.00 0.00 C ATOM 559 O GLY A 35 -11.691 -2.648 -9.577 1.00 0.00 O ATOM 0 H GLY A 35 -10.459 -5.530 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.825 -4.881 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.191 -5.371 -9.743 1.00 0.00 H new ATOM 563 N GLY A 36 -12.674 -3.609 -7.791 1.00 0.00 N ATOM 564 CA GLY A 36 -12.694 -2.388 -7.008 1.00 0.00 C ATOM 565 C GLY A 36 -12.175 -2.601 -5.601 1.00 0.00 C ATOM 566 O GLY A 36 -11.092 -3.147 -5.415 1.00 0.00 O ATOM 0 H GLY A 36 -13.076 -4.420 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.089 -1.630 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.713 -2.004 -6.963 1.00 0.00 H new ATOM 570 N LYS A 37 -12.952 -2.185 -4.611 1.00 0.00 N ATOM 571 CA LYS A 37 -12.520 -2.208 -3.211 1.00 0.00 C ATOM 572 C LYS A 37 -12.882 -3.528 -2.525 1.00 0.00 C ATOM 573 O LYS A 37 -13.674 -4.319 -3.042 1.00 0.00 O ATOM 574 CB LYS A 37 -13.137 -1.020 -2.455 1.00 0.00 C ATOM 575 CG LYS A 37 -14.665 -1.020 -2.438 1.00 0.00 C ATOM 576 CD LYS A 37 -15.235 0.269 -1.849 1.00 0.00 C ATOM 577 CE LYS A 37 -14.877 1.494 -2.690 1.00 0.00 C ATOM 578 NZ LYS A 37 -15.466 1.435 -4.057 1.00 0.00 N ATOM 0 H LYS A 37 -13.896 -1.823 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.434 -2.122 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.772 -1.027 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.789 -0.093 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.038 -1.149 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.020 -1.871 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.319 0.185 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.856 0.402 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.228 2.394 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.793 1.574 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.573 2.400 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.839 0.889 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.398 0.975 -4.014 1.00 0.00 H new ATOM 592 N VAL A 38 -12.286 -3.751 -1.355 1.00 0.00 N ATOM 593 CA VAL A 38 -12.521 -4.954 -0.562 1.00 0.00 C ATOM 594 C VAL A 38 -12.434 -4.618 0.928 1.00 0.00 C ATOM 595 O VAL A 38 -11.896 -3.572 1.305 1.00 0.00 O ATOM 596 CB VAL A 38 -11.498 -6.073 -0.909 1.00 0.00 C ATOM 597 CG1 VAL A 38 -10.086 -5.704 -0.456 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.920 -7.408 -0.306 1.00 0.00 C ATOM 0 H VAL A 38 -11.625 -3.100 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.519 -5.323 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.486 -6.174 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.399 -6.509 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.773 -4.786 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.078 -5.553 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.187 -8.172 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.980 -7.315 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.895 -7.693 -0.700 1.00 0.00 H new ATOM 608 N THR A 39 -12.971 -5.491 1.769 1.00 0.00 N ATOM 609 CA THR A 39 -12.946 -5.299 3.212 1.00 0.00 C ATOM 610 C THR A 39 -12.470 -6.576 3.913 1.00 0.00 C ATOM 611 O THR A 39 -13.007 -7.664 3.677 1.00 0.00 O ATOM 612 CB THR A 39 -14.346 -4.899 3.736 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.821 -3.757 3.005 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.310 -4.571 5.227 1.00 0.00 C ATOM 0 H THR A 39 -13.435 -6.349 1.471 1.00 0.00 H new ATOM 0 HA THR A 39 -12.248 -4.492 3.435 1.00 0.00 H new ATOM 0 HB THR A 39 -15.019 -5.744 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.708 -3.503 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.309 -4.294 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.969 -5.444 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.626 -3.740 5.400 1.00 0.00 H new ATOM 622 N LEU A 40 -11.440 -6.437 4.749 1.00 0.00 N ATOM 623 CA LEU A 40 -10.908 -7.551 5.527 1.00 0.00 C ATOM 624 C LEU A 40 -11.893 -7.948 6.626 1.00 0.00 C ATOM 625 O LEU A 40 -12.741 -7.150 7.026 1.00 0.00 O ATOM 626 CB LEU A 40 -9.549 -7.185 6.153 1.00 0.00 C ATOM 627 CG LEU A 40 -8.428 -6.827 5.160 1.00 0.00 C ATOM 628 CD1 LEU A 40 -7.098 -6.616 5.877 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.300 -7.892 4.071 1.00 0.00 C ATOM 0 H LEU A 40 -10.955 -5.553 4.904 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.764 -8.395 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.696 -6.340 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.214 -8.024 6.763 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.699 -5.886 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.328 -6.365 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.197 -5.802 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.818 -7.530 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.501 -7.615 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.068 -8.854 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.240 -7.968 3.524 1.00 0.00 H new ATOM 641 N ALA A 41 -11.754 -9.173 7.120 1.00 0.00 N ATOM 642 CA ALA A 41 -12.650 -9.714 8.142 1.00 0.00 C ATOM 643 C ALA A 41 -12.672 -8.851 9.404 1.00 0.00 C ATOM 644 O ALA A 41 -13.650 -8.865 10.155 1.00 0.00 O ATOM 645 CB ALA A 41 -12.249 -11.146 8.486 1.00 0.00 C ATOM 0 H ALA A 41 -11.021 -9.819 6.827 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.659 -9.709 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.922 -11.539 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.311 -11.766 7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.227 -11.157 8.865 1.00 0.00 H new ATOM 651 N ASN A 42 -11.597 -8.095 9.631 1.00 0.00 N ATOM 652 CA ASN A 42 -11.479 -7.275 10.840 1.00 0.00 C ATOM 653 C ASN A 42 -11.664 -5.783 10.525 1.00 0.00 C ATOM 654 O ASN A 42 -11.222 -4.914 11.279 1.00 0.00 O ATOM 655 CB ASN A 42 -10.127 -7.533 11.525 1.00 0.00 C ATOM 656 CG ASN A 42 -10.049 -6.937 12.925 1.00 0.00 C ATOM 657 OD1 ASN A 42 -11.066 -6.742 13.591 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.840 -6.673 13.394 1.00 0.00 N ATOM 0 H ASN A 42 -10.799 -8.033 8.998 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.276 -7.562 11.526 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.954 -8.608 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.329 -7.114 10.912 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.729 -6.296 14.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.019 -6.847 12.814 1.00 0.00 H new ATOM 665 N GLY A 43 -12.314 -5.487 9.400 1.00 0.00 N ATOM 666 CA GLY A 43 -12.763 -4.125 9.128 1.00 0.00 C ATOM 667 C GLY A 43 -11.879 -3.342 8.170 1.00 0.00 C ATOM 668 O GLY A 43 -12.385 -2.502 7.419 1.00 0.00 O ATOM 0 H GLY A 43 -12.539 -6.164 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.772 -4.165 8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.823 -3.582 10.071 1.00 0.00 H new ATOM 672 N TRP A 44 -10.569 -3.585 8.206 1.00 0.00 N ATOM 673 CA TRP A 44 -9.623 -2.849 7.354 1.00 0.00 C ATOM 674 C TRP A 44 -10.035 -2.931 5.880 1.00 0.00 C ATOM 675 O TRP A 44 -10.273 -4.020 5.360 1.00 0.00 O ATOM 676 CB TRP A 44 -8.199 -3.400 7.515 1.00 0.00 C ATOM 677 CG TRP A 44 -7.641 -3.282 8.905 1.00 0.00 C ATOM 678 CD1 TRP A 44 -7.426 -2.135 9.614 1.00 0.00 C ATOM 679 CD2 TRP A 44 -7.196 -4.358 9.740 1.00 0.00 C ATOM 680 NE1 TRP A 44 -6.882 -2.434 10.840 1.00 0.00 N ATOM 681 CE2 TRP A 44 -6.730 -3.791 10.939 1.00 0.00 C ATOM 682 CE3 TRP A 44 -7.146 -5.747 9.588 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -6.224 -4.563 11.980 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -6.642 -6.512 10.622 1.00 0.00 C ATOM 685 CH2 TRP A 44 -6.186 -5.917 11.804 1.00 0.00 C ATOM 0 H TRP A 44 -10.136 -4.282 8.812 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.641 -1.806 7.671 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.194 -4.450 7.222 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.539 -2.874 6.826 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.651 -1.139 9.263 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.632 -1.755 11.559 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.495 -6.213 8.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.874 -4.108 12.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.599 -7.586 10.517 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.796 -6.542 12.594 1.00 0.00 H new ATOM 696 N GLN A 45 -10.121 -1.783 5.215 1.00 0.00 N ATOM 697 CA GLN A 45 -10.531 -1.736 3.812 1.00 0.00 C ATOM 698 C GLN A 45 -9.327 -1.509 2.897 1.00 0.00 C ATOM 699 O GLN A 45 -8.452 -0.691 3.195 1.00 0.00 O ATOM 700 CB GLN A 45 -11.570 -0.630 3.597 1.00 0.00 C ATOM 701 CG GLN A 45 -12.812 -0.777 4.469 1.00 0.00 C ATOM 702 CD GLN A 45 -13.852 0.294 4.191 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.729 0.118 3.345 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.761 1.413 4.894 1.00 0.00 N ATOM 0 H GLN A 45 -9.913 -0.872 5.623 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.978 -2.697 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.107 0.336 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.871 -0.625 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.254 -1.759 4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.522 -0.732 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.020 1.521 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.432 2.166 4.743 1.00 0.00 H new ATOM 713 N LEU A 46 -9.302 -2.224 1.778 1.00 0.00 N ATOM 714 CA LEU A 46 -8.216 -2.139 0.804 1.00 0.00 C ATOM 715 C LEU A 46 -8.834 -2.127 -0.592 1.00 0.00 C ATOM 716 O LEU A 46 -9.863 -2.757 -0.812 1.00 0.00 O ATOM 717 CB LEU A 46 -7.256 -3.337 0.998 1.00 0.00 C ATOM 718 CG LEU A 46 -5.870 -3.250 0.314 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.962 -3.487 -1.192 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.207 -1.904 0.609 1.00 0.00 C ATOM 0 H LEU A 46 -10.037 -2.882 1.518 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.633 -1.228 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.097 -3.473 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.757 -4.234 0.634 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.250 -4.044 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.968 -3.417 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.373 -4.479 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.611 -2.734 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.234 -1.863 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.837 -1.098 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.077 -1.791 1.685 1.00 0.00 H new ATOM 732 N GLU A 47 -8.245 -1.386 -1.523 1.00 0.00 N ATOM 733 CA GLU A 47 -8.806 -1.274 -2.866 1.00 0.00 C ATOM 734 C GLU A 47 -7.911 -1.966 -3.891 1.00 0.00 C ATOM 735 O GLU A 47 -6.701 -1.736 -3.932 1.00 0.00 O ATOM 736 CB GLU A 47 -9.006 0.199 -3.237 1.00 0.00 C ATOM 737 CG GLU A 47 -9.895 0.416 -4.454 1.00 0.00 C ATOM 738 CD GLU A 47 -10.054 1.884 -4.804 1.00 0.00 C ATOM 739 OE1 GLU A 47 -10.886 2.564 -4.165 1.00 0.00 O ATOM 740 OE2 GLU A 47 -9.351 2.369 -5.717 1.00 0.00 O ATOM 0 H GLU A 47 -7.385 -0.857 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.776 -1.772 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.440 0.722 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.032 0.651 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.472 -0.114 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.877 -0.017 -4.264 1.00 0.00 H new ATOM 747 N LEU A 48 -8.523 -2.820 -4.705 1.00 0.00 N ATOM 748 CA LEU A 48 -7.821 -3.555 -5.751 1.00 0.00 C ATOM 749 C LEU A 48 -7.633 -2.679 -6.991 1.00 0.00 C ATOM 750 O LEU A 48 -8.504 -1.876 -7.327 1.00 0.00 O ATOM 751 CB LEU A 48 -8.599 -4.831 -6.130 1.00 0.00 C ATOM 752 CG LEU A 48 -8.680 -5.924 -5.045 1.00 0.00 C ATOM 753 CD1 LEU A 48 -7.300 -6.230 -4.469 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.656 -5.534 -3.939 1.00 0.00 C ATOM 0 H LEU A 48 -9.522 -3.022 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.841 -3.838 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.614 -4.545 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.138 -5.263 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.056 -6.831 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.387 -7.004 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.642 -6.578 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.883 -5.327 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.691 -6.324 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.325 -4.606 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.650 -5.393 -4.364 1.00 0.00 H new ATOM 766 N PRO A 49 -6.495 -2.829 -7.697 1.00 0.00 N ATOM 767 CA PRO A 49 -6.206 -2.066 -8.916 1.00 0.00 C ATOM 768 C PRO A 49 -6.831 -2.694 -10.168 1.00 0.00 C ATOM 769 O PRO A 49 -6.316 -2.530 -11.276 1.00 0.00 O ATOM 770 CB PRO A 49 -4.677 -2.118 -8.979 1.00 0.00 C ATOM 771 CG PRO A 49 -4.329 -3.446 -8.395 1.00 0.00 C ATOM 772 CD PRO A 49 -5.381 -3.740 -7.349 1.00 0.00 C ATOM 0 HA PRO A 49 -6.618 -1.057 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.318 -2.028 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.228 -1.304 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.319 -4.218 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.334 -3.426 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.694 -4.784 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.008 -3.549 -6.343 1.00 0.00 H new ATOM 780 N ALA A 50 -7.945 -3.405 -9.974 1.00 0.00 N ATOM 781 CA ALA A 50 -8.690 -4.040 -11.066 1.00 0.00 C ATOM 782 C ALA A 50 -7.823 -5.019 -11.867 1.00 0.00 C ATOM 783 O ALA A 50 -7.089 -4.624 -12.776 1.00 0.00 O ATOM 784 CB ALA A 50 -9.307 -2.987 -11.983 1.00 0.00 C ATOM 0 H ALA A 50 -8.357 -3.557 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.493 -4.621 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.855 -3.480 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.990 -2.360 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.517 -2.368 -12.409 1.00 0.00 H new ATOM 790 N MET A 51 -7.915 -6.297 -11.510 1.00 0.00 N ATOM 791 CA MET A 51 -7.200 -7.369 -12.208 1.00 0.00 C ATOM 792 C MET A 51 -8.163 -8.525 -12.472 1.00 0.00 C ATOM 793 O MET A 51 -9.366 -8.406 -12.216 1.00 0.00 O ATOM 794 CB MET A 51 -6.015 -7.874 -11.366 1.00 0.00 C ATOM 795 CG MET A 51 -4.972 -6.813 -11.039 1.00 0.00 C ATOM 796 SD MET A 51 -4.137 -6.168 -12.500 1.00 0.00 S ATOM 797 CE MET A 51 -2.971 -5.036 -11.747 1.00 0.00 C ATOM 0 H MET A 51 -8.486 -6.622 -10.730 1.00 0.00 H new ATOM 0 HA MET A 51 -6.814 -6.978 -13.150 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.399 -8.287 -10.433 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.529 -8.690 -11.900 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.453 -5.990 -10.510 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.231 -7.237 -10.362 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.251 -4.704 -12.495 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.506 -4.173 -11.350 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.445 -5.541 -10.937 1.00 0.00 H new ATOM 807 N ALA A 52 -7.639 -9.634 -12.986 1.00 0.00 N ATOM 808 CA ALA A 52 -8.427 -10.850 -13.159 1.00 0.00 C ATOM 809 C ALA A 52 -8.332 -11.714 -11.906 1.00 0.00 C ATOM 810 O ALA A 52 -7.293 -11.743 -11.245 1.00 0.00 O ATOM 811 CB ALA A 52 -7.953 -11.629 -14.383 1.00 0.00 C ATOM 0 H ALA A 52 -6.669 -9.715 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.469 -10.572 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.553 -12.532 -14.494 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.061 -11.009 -15.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.906 -11.903 -14.257 1.00 0.00 H new ATOM 817 N ALA A 53 -9.417 -12.404 -11.574 1.00 0.00 N ATOM 818 CA ALA A 53 -9.447 -13.271 -10.398 1.00 0.00 C ATOM 819 C ALA A 53 -8.592 -14.516 -10.621 1.00 0.00 C ATOM 820 O ALA A 53 -8.034 -15.082 -9.675 1.00 0.00 O ATOM 821 CB ALA A 53 -10.883 -13.653 -10.059 1.00 0.00 C ATOM 0 H ALA A 53 -10.289 -12.381 -12.102 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.028 -12.723 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.890 -14.299 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.460 -12.752 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.328 -14.182 -10.902 1.00 0.00 H new ATOM 827 N ASP A 54 -8.467 -14.916 -11.883 1.00 0.00 N ATOM 828 CA ASP A 54 -7.711 -16.110 -12.257 1.00 0.00 C ATOM 829 C ASP A 54 -6.207 -15.835 -12.275 1.00 0.00 C ATOM 830 O ASP A 54 -5.523 -16.120 -13.260 1.00 0.00 O ATOM 831 CB ASP A 54 -8.172 -16.623 -13.631 1.00 0.00 C ATOM 832 CG ASP A 54 -9.598 -17.146 -13.616 1.00 0.00 C ATOM 833 OD1 ASP A 54 -9.804 -18.329 -13.262 1.00 0.00 O ATOM 834 OD2 ASP A 54 -10.524 -16.378 -13.961 1.00 0.00 O ATOM 0 H ASP A 54 -8.885 -14.425 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.904 -16.876 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.093 -15.816 -14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.502 -17.417 -13.961 1.00 0.00 H new ATOM 839 N THR A 55 -5.698 -15.257 -11.192 1.00 0.00 N ATOM 840 CA THR A 55 -4.265 -15.096 -11.015 1.00 0.00 C ATOM 841 C THR A 55 -3.645 -16.452 -10.659 1.00 0.00 C ATOM 842 O THR A 55 -4.052 -17.077 -9.676 1.00 0.00 O ATOM 843 CB THR A 55 -3.953 -14.069 -9.900 1.00 0.00 C ATOM 844 OG1 THR A 55 -4.580 -14.471 -8.673 1.00 0.00 O ATOM 845 CG2 THR A 55 -4.437 -12.673 -10.283 1.00 0.00 C ATOM 0 H THR A 55 -6.261 -14.892 -10.423 1.00 0.00 H new ATOM 0 HA THR A 55 -3.839 -14.724 -11.947 1.00 0.00 H new ATOM 0 HB THR A 55 -2.872 -14.036 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.376 -13.817 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.204 -11.974 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.939 -12.354 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.515 -12.693 -10.445 1.00 0.00 H new ATOM 853 N PRO A 56 -2.660 -16.929 -11.447 1.00 0.00 N ATOM 854 CA PRO A 56 -2.062 -18.262 -11.251 1.00 0.00 C ATOM 855 C PRO A 56 -1.267 -18.365 -9.947 1.00 0.00 C ATOM 856 O PRO A 56 -0.822 -19.447 -9.562 1.00 0.00 O ATOM 857 CB PRO A 56 -1.135 -18.419 -12.468 1.00 0.00 C ATOM 858 CG PRO A 56 -0.813 -17.021 -12.880 1.00 0.00 C ATOM 859 CD PRO A 56 -2.051 -16.215 -12.589 1.00 0.00 C ATOM 0 HA PRO A 56 -2.821 -19.041 -11.174 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.233 -18.974 -12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.626 -18.966 -13.273 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.043 -16.637 -12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.555 -16.974 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.809 -15.183 -12.335 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.722 -16.183 -13.448 1.00 0.00 H new ATOM 867 N LEU A 57 -1.094 -17.231 -9.277 1.00 0.00 N ATOM 868 CA LEU A 57 -0.331 -17.166 -8.036 1.00 0.00 C ATOM 869 C LEU A 57 -0.834 -16.018 -7.158 1.00 0.00 C ATOM 870 O LEU A 57 -1.567 -15.146 -7.636 1.00 0.00 O ATOM 871 CB LEU A 57 1.175 -17.012 -8.361 1.00 0.00 C ATOM 872 CG LEU A 57 1.549 -15.957 -9.432 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.361 -14.530 -8.918 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.986 -16.167 -9.914 1.00 0.00 C ATOM 0 H LEU A 57 -1.477 -16.335 -9.577 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.470 -18.091 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.699 -16.761 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.553 -17.980 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 57 0.870 -16.093 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.635 -13.822 -9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.318 -14.378 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.996 -14.371 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.231 -15.417 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.670 -16.072 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.082 -17.162 -10.349 1.00 0.00 H new ATOM 886 N PRO A 58 -0.479 -16.018 -5.855 1.00 0.00 N ATOM 887 CA PRO A 58 -0.763 -14.884 -4.971 1.00 0.00 C ATOM 888 C PRO A 58 0.049 -13.661 -5.400 1.00 0.00 C ATOM 889 O PRO A 58 1.239 -13.546 -5.096 1.00 0.00 O ATOM 890 CB PRO A 58 -0.338 -15.388 -3.582 1.00 0.00 C ATOM 891 CG PRO A 58 0.663 -16.461 -3.860 1.00 0.00 C ATOM 892 CD PRO A 58 0.212 -17.115 -5.139 1.00 0.00 C ATOM 0 HA PRO A 58 -1.806 -14.569 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.096 -14.586 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.190 -15.776 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.665 -16.045 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.701 -17.182 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.055 -17.502 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.456 -17.955 -4.948 1.00 0.00 H new ATOM 900 N ILE A 59 -0.595 -12.762 -6.131 1.00 0.00 N ATOM 901 CA ILE A 59 0.100 -11.651 -6.770 1.00 0.00 C ATOM 902 C ILE A 59 0.202 -10.447 -5.837 1.00 0.00 C ATOM 903 O ILE A 59 -0.704 -10.174 -5.042 1.00 0.00 O ATOM 904 CB ILE A 59 -0.599 -11.240 -8.094 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.177 -10.112 -8.799 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.046 -10.826 -7.836 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.430 -9.676 -10.119 1.00 0.00 C ATOM 0 H ILE A 59 -1.601 -12.780 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 59 1.109 -11.993 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.607 -12.106 -8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.230 -9.251 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.201 -10.443 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.517 -10.542 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.590 -11.661 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.065 -9.979 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.175 -8.879 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.458 -10.523 -10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.444 -9.312 -9.951 1.00 0.00 H new ATOM 919 N THR A 60 1.330 -9.752 -5.924 1.00 0.00 N ATOM 920 CA THR A 60 1.568 -8.546 -5.150 1.00 0.00 C ATOM 921 C THR A 60 1.223 -7.317 -5.993 1.00 0.00 C ATOM 922 O THR A 60 1.767 -7.134 -7.085 1.00 0.00 O ATOM 923 CB THR A 60 3.044 -8.480 -4.701 1.00 0.00 C ATOM 924 OG1 THR A 60 3.415 -9.724 -4.082 1.00 0.00 O ATOM 925 CG2 THR A 60 3.271 -7.335 -3.722 1.00 0.00 C ATOM 0 H THR A 60 2.105 -10.012 -6.535 1.00 0.00 H new ATOM 0 HA THR A 60 0.935 -8.564 -4.263 1.00 0.00 H new ATOM 0 HB THR A 60 3.662 -8.304 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.352 -9.682 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.319 -7.314 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.011 -6.391 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.646 -7.480 -2.841 1.00 0.00 H new ATOM 933 N VAL A 61 0.309 -6.488 -5.498 1.00 0.00 N ATOM 934 CA VAL A 61 -0.180 -5.339 -6.253 1.00 0.00 C ATOM 935 C VAL A 61 -0.122 -4.059 -5.424 1.00 0.00 C ATOM 936 O VAL A 61 0.210 -4.087 -4.232 1.00 0.00 O ATOM 937 CB VAL A 61 -1.637 -5.562 -6.739 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.708 -6.722 -7.734 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.570 -5.804 -5.550 1.00 0.00 C ATOM 0 H VAL A 61 -0.109 -6.591 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 61 0.475 -5.232 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.967 -4.659 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.739 -6.859 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.081 -6.500 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.355 -7.635 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.587 -5.958 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.241 -6.688 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.547 -4.939 -4.888 1.00 0.00 H new ATOM 949 N GLU A 62 -0.439 -2.945 -6.078 1.00 0.00 N ATOM 950 CA GLU A 62 -0.494 -1.639 -5.436 1.00 0.00 C ATOM 951 C GLU A 62 -1.585 -1.617 -4.368 1.00 0.00 C ATOM 952 O GLU A 62 -2.743 -1.945 -4.644 1.00 0.00 O ATOM 953 CB GLU A 62 -0.765 -0.556 -6.492 1.00 0.00 C ATOM 954 CG GLU A 62 -0.713 0.870 -5.955 1.00 0.00 C ATOM 955 CD GLU A 62 0.622 1.202 -5.307 1.00 0.00 C ATOM 956 OE1 GLU A 62 1.664 1.094 -5.990 1.00 0.00 O ATOM 957 OE2 GLU A 62 0.638 1.558 -4.110 1.00 0.00 O ATOM 0 H GLU A 62 -0.666 -2.925 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 62 0.464 -1.440 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.034 -0.657 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.747 -0.731 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.901 1.569 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.511 1.009 -5.226 1.00 0.00 H new ATOM 964 N ALA A 63 -1.213 -1.233 -3.153 1.00 0.00 N ATOM 965 CA ALA A 63 -2.159 -1.169 -2.048 1.00 0.00 C ATOM 966 C ALA A 63 -2.801 0.213 -1.967 1.00 0.00 C ATOM 967 O ALA A 63 -2.143 1.195 -1.616 1.00 0.00 O ATOM 968 CB ALA A 63 -1.465 -1.514 -0.735 1.00 0.00 C ATOM 0 H ALA A 63 -0.261 -0.961 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.947 -1.901 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.185 -1.462 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.055 -2.522 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.658 -0.805 -0.553 1.00 0.00 H new ATOM 974 N ARG A 64 -4.083 0.289 -2.303 1.00 0.00 N ATOM 975 CA ARG A 64 -4.835 1.530 -2.192 1.00 0.00 C ATOM 976 C ARG A 64 -5.697 1.486 -0.929 1.00 0.00 C ATOM 977 O ARG A 64 -6.747 0.843 -0.900 1.00 0.00 O ATOM 978 CB ARG A 64 -5.694 1.730 -3.448 1.00 0.00 C ATOM 979 CG ARG A 64 -6.596 2.961 -3.410 1.00 0.00 C ATOM 980 CD ARG A 64 -5.792 4.255 -3.410 1.00 0.00 C ATOM 981 NE ARG A 64 -6.646 5.436 -3.290 1.00 0.00 N ATOM 982 CZ ARG A 64 -6.185 6.686 -3.219 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.880 6.924 -3.305 1.00 0.00 N ATOM 984 NH2 ARG A 64 -7.032 7.695 -3.074 1.00 0.00 N ATOM 0 H ARG A 64 -4.625 -0.500 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.152 2.376 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.036 1.804 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.314 0.845 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.264 2.949 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.224 2.924 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.080 4.238 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.212 4.320 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.656 5.296 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.227 6.150 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.531 7.881 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.034 7.515 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.681 8.651 -3.020 1.00 0.00 H new ATOM 998 N LYS A 65 -5.223 2.143 0.123 1.00 0.00 N ATOM 999 CA LYS A 65 -5.891 2.124 1.420 1.00 0.00 C ATOM 1000 C LYS A 65 -7.069 3.093 1.437 1.00 0.00 C ATOM 1001 O LYS A 65 -6.951 4.234 0.985 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.886 2.484 2.530 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.475 2.507 3.943 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.073 1.159 4.339 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.535 1.143 5.794 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.506 2.229 6.090 1.00 0.00 N ATOM 0 H LYS A 65 -4.370 2.701 0.102 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.276 1.120 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.065 1.767 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.460 3.464 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.697 2.781 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.245 3.276 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.917 0.932 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.332 0.375 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.992 0.179 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.669 1.244 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.131 1.933 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.991 3.089 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.076 2.426 5.243 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.205 2.626 1.946 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.383 3.471 2.113 1.00 0.00 C ATOM 1022 C LEU A 66 -9.312 4.180 3.464 1.00 0.00 C ATOM 1023 O LEU A 66 -9.336 3.481 4.502 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.685 2.653 2.008 1.00 0.00 C ATOM 1025 CG LEU A 66 -11.009 2.077 0.614 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.991 1.021 0.201 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.423 1.499 0.582 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.219 5.424 3.484 1.00 0.00 O ATOM 0 H LEU A 66 -8.335 1.662 2.252 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.393 4.209 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.630 1.827 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.515 3.287 2.320 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.953 2.896 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.247 0.635 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.997 1.467 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.000 0.205 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.630 1.098 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.507 0.701 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.142 2.284 0.814 1.00 0.00 H new TER 1040 LEU A 66