USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= 1.04 K(o=2.3,f=-8.9!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.58 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 171:sc= -1.51 (180deg=-1.88) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.18 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.277!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.25 (180deg=-0.279) USER MOD Single : A 31 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.018 (180deg=-0.309) USER MOD Single : A 40 GLN : amide:sc= -0.0563 K(o=-0.056,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0.784 K(o=0.78,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.678 K(o=-0.68,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 139:sc= 0.0774 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc=-0.00856 (180deg=-0.0191) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.372 3.811 -4.354 1.00 9.67 N ATOM 2 CA MET A 1 -12.346 4.333 -2.969 1.00 10.38 C ATOM 3 C MET A 1 -10.990 4.882 -2.689 1.00 9.62 C ATOM 4 O MET A 1 -10.012 4.652 -3.398 1.00 9.62 O ATOM 5 CB MET A 1 -12.790 3.291 -1.928 1.00 13.77 C ATOM 6 CG MET A 1 -11.736 2.304 -1.421 1.00 16.29 C ATOM 7 SD MET A 1 -11.196 1.164 -2.730 1.00 17.17 S ATOM 8 CE MET A 1 -9.970 0.372 -1.649 1.00 16.11 C ATOM 0 H1 MET A 1 -13.170 3.153 -4.462 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.482 4.601 -5.021 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.482 3.312 -4.554 1.00 9.67 H new ATOM 0 HA MET A 1 -13.079 5.135 -2.883 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.191 3.826 -1.067 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.610 2.716 -2.357 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.876 2.854 -1.040 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.144 1.733 -0.587 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.564 -0.510 -2.144 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.163 1.074 -1.439 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.446 0.077 -0.714 1.00 16.11 H new ATOM 20 N GLN A 2 -10.778 5.676 -1.624 1.00 9.27 N ATOM 21 CA GLN A 2 -9.634 6.431 -1.215 1.00 9.07 C ATOM 22 C GLN A 2 -9.026 5.772 -0.025 1.00 8.72 C ATOM 23 O GLN A 2 -9.693 5.419 0.947 1.00 8.22 O ATOM 24 CB GLN A 2 -9.890 7.905 -0.861 1.00 14.46 C ATOM 25 CG GLN A 2 -10.050 8.737 -2.135 1.00 17.01 C ATOM 26 CD GLN A 2 -10.054 10.200 -1.714 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.074 10.921 -1.892 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.252 10.677 -1.283 1.00 19.49 N ATOM 0 H GLN A 2 -11.532 5.803 -0.949 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.979 6.444 -2.086 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.788 7.988 -0.249 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.062 8.292 -0.267 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.235 8.538 -2.830 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.977 8.481 -2.649 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.037 10.039 -1.150 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.366 11.673 -1.093 1.00 19.49 H new ATOM 37 N ILE A 3 -7.686 5.673 0.043 1.00 5.87 N ATOM 38 CA ILE A 3 -6.932 5.074 1.100 1.00 5.07 C ATOM 39 C ILE A 3 -5.820 6.007 1.437 1.00 4.01 C ATOM 40 O ILE A 3 -5.271 6.723 0.601 1.00 4.61 O ATOM 41 CB ILE A 3 -6.446 3.668 0.908 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.609 3.398 -0.354 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.702 2.781 0.909 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.942 2.033 -0.519 1.00 10.83 C ATOM 0 H ILE A 3 -7.087 6.039 -0.697 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.631 4.935 1.925 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.748 3.452 1.717 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.255 3.556 -1.218 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.826 4.155 -0.399 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.412 1.739 0.772 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.224 2.890 1.860 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.362 3.084 0.096 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.392 2.008 -1.460 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.253 1.862 0.308 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.704 1.254 -0.524 1.00 10.83 H new ATOM 56 N PHE A 4 -5.407 6.011 2.717 1.00 4.55 N ATOM 57 CA PHE A 4 -4.317 6.804 3.194 1.00 4.68 C ATOM 58 C PHE A 4 -3.060 6.080 3.534 1.00 5.30 C ATOM 59 O PHE A 4 -3.069 5.371 4.539 1.00 5.58 O ATOM 60 CB PHE A 4 -4.810 7.483 4.483 1.00 4.83 C ATOM 61 CG PHE A 4 -5.929 8.423 4.195 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.653 9.651 3.640 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.218 8.160 4.593 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.663 10.497 3.249 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.213 9.057 4.284 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.973 10.162 3.502 1.00 8.90 C ATOM 0 H PHE A 4 -5.846 5.444 3.443 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.050 7.473 2.376 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.140 6.726 5.194 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.987 8.023 4.951 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.625 9.955 3.509 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.447 7.259 5.142 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.429 11.423 2.744 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.209 8.889 4.666 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.786 10.748 3.100 1.00 8.90 H new ATOM 76 N VAL A 5 -1.952 6.230 2.786 1.00 4.44 N ATOM 77 CA VAL A 5 -0.708 5.620 3.141 1.00 3.87 C ATOM 78 C VAL A 5 0.169 6.646 3.771 1.00 4.93 C ATOM 79 O VAL A 5 0.504 7.638 3.125 1.00 6.84 O ATOM 80 CB VAL A 5 -0.070 5.049 1.909 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.445 4.815 2.043 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.646 3.696 1.458 1.00 9.13 C ATOM 0 H VAL A 5 -1.918 6.779 1.927 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.867 4.810 3.853 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.290 5.825 1.176 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.833 4.401 1.112 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.942 5.762 2.254 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.635 4.116 2.858 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.126 3.360 0.561 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.513 2.961 2.252 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.708 3.807 1.241 1.00 9.13 H new ATOM 92 N LYS A 6 0.619 6.386 5.012 1.00 6.04 N ATOM 93 CA LYS A 6 1.529 7.086 5.863 1.00 6.12 C ATOM 94 C LYS A 6 2.945 6.655 5.691 1.00 6.57 C ATOM 95 O LYS A 6 3.264 5.529 6.072 1.00 5.76 O ATOM 96 CB LYS A 6 1.070 7.090 7.331 1.00 7.45 C ATOM 97 CG LYS A 6 -0.431 7.377 7.402 1.00 11.12 C ATOM 98 CD LYS A 6 -0.855 7.844 8.796 1.00 14.54 C ATOM 99 CE LYS A 6 -2.237 8.501 8.765 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.443 9.068 10.116 1.00 20.55 N ATOM 0 H LYS A 6 0.285 5.547 5.487 1.00 6.04 H new ATOM 0 HA LYS A 6 1.509 8.126 5.537 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.288 6.127 7.793 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.621 7.845 7.892 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.690 8.140 6.668 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.986 6.478 7.136 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.869 6.994 9.478 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.122 8.552 9.184 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.283 9.279 8.003 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.011 7.772 8.524 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.373 9.532 10.160 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.403 8.306 10.822 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.698 9.765 10.317 1.00 20.55 H new ATOM 114 N THR A 7 3.863 7.472 5.145 1.00 7.41 N ATOM 115 CA THR A 7 5.256 7.191 4.987 1.00 7.48 C ATOM 116 C THR A 7 6.095 7.307 6.213 1.00 8.75 C ATOM 117 O THR A 7 5.768 8.053 7.135 1.00 8.58 O ATOM 118 CB THR A 7 5.859 8.005 3.881 1.00 9.61 C ATOM 119 OG1 THR A 7 6.202 9.346 4.196 1.00 11.78 O ATOM 120 CG2 THR A 7 4.847 8.048 2.723 1.00 9.17 C ATOM 0 H THR A 7 3.613 8.394 4.789 1.00 7.41 H new ATOM 0 HA THR A 7 5.268 6.131 4.733 1.00 7.48 H new ATOM 0 HB THR A 7 6.801 7.510 3.643 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.586 9.780 3.406 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.259 8.635 1.902 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.645 7.034 2.379 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.920 8.506 3.067 1.00 9.17 H new ATOM 128 N LEU A 8 7.255 6.632 6.124 1.00 9.84 N ATOM 129 CA LEU A 8 8.267 6.515 7.127 1.00 14.15 C ATOM 130 C LEU A 8 8.696 7.857 7.611 1.00 17.37 C ATOM 131 O LEU A 8 8.767 8.078 8.819 1.00 17.01 O ATOM 132 CB LEU A 8 9.459 5.654 6.675 1.00 16.63 C ATOM 133 CG LEU A 8 10.666 5.561 7.624 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.188 5.192 9.039 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.690 4.523 7.136 1.00 19.31 C ATOM 0 H LEU A 8 7.504 6.125 5.275 1.00 9.84 H new ATOM 0 HA LEU A 8 7.822 5.984 7.968 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.094 4.643 6.494 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.811 6.042 5.719 1.00 16.63 H new ATOM 0 HG LEU A 8 11.155 6.535 7.641 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.046 5.127 9.708 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.502 5.957 9.402 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.677 4.230 9.011 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.529 4.485 7.831 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.217 3.542 7.084 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.051 4.805 6.147 1.00 19.31 H new ATOM 147 N THR A 9 9.029 8.819 6.732 1.00 18.33 N ATOM 148 CA THR A 9 9.435 10.173 6.946 1.00 19.24 C ATOM 149 C THR A 9 8.370 11.033 7.536 1.00 19.48 C ATOM 150 O THR A 9 8.738 11.824 8.402 1.00 23.14 O ATOM 151 CB THR A 9 10.067 10.795 5.736 1.00 18.97 C ATOM 152 OG1 THR A 9 9.185 10.780 4.624 1.00 20.24 O ATOM 153 CG2 THR A 9 11.383 10.048 5.459 1.00 19.70 C ATOM 0 H THR A 9 9.009 8.612 5.733 1.00 18.33 H new ATOM 0 HA THR A 9 10.216 10.113 7.704 1.00 19.24 H new ATOM 0 HB THR A 9 10.283 11.848 5.917 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.625 11.193 3.852 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.868 10.478 4.583 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.043 10.142 6.321 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.172 8.994 5.277 1.00 19.70 H new ATOM 161 N GLY A 10 7.094 10.868 7.144 1.00 19.43 N ATOM 162 CA GLY A 10 5.946 11.611 7.562 1.00 18.74 C ATOM 163 C GLY A 10 5.187 12.319 6.493 1.00 17.62 C ATOM 164 O GLY A 10 4.776 13.464 6.674 1.00 19.74 O ATOM 0 H GLY A 10 6.845 10.144 6.470 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.264 10.929 8.070 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.266 12.348 8.298 1.00 18.74 H new ATOM 168 N LYS A 11 4.807 11.634 5.400 1.00 13.56 N ATOM 169 CA LYS A 11 3.833 12.157 4.493 1.00 11.91 C ATOM 170 C LYS A 11 2.695 11.199 4.407 1.00 10.18 C ATOM 171 O LYS A 11 2.907 9.996 4.258 1.00 9.10 O ATOM 172 CB LYS A 11 4.499 12.271 3.111 1.00 13.43 C ATOM 173 CG LYS A 11 5.733 13.171 3.036 1.00 16.69 C ATOM 174 CD LYS A 11 6.239 13.032 1.599 1.00 17.92 C ATOM 175 CE LYS A 11 5.407 13.674 0.487 1.00 20.81 C ATOM 176 NZ LYS A 11 6.247 13.714 -0.731 1.00 21.93 N ATOM 0 H LYS A 11 5.174 10.717 5.144 1.00 13.56 H new ATOM 0 HA LYS A 11 3.469 13.128 4.828 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.782 11.271 2.782 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.759 12.642 2.402 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.481 14.206 3.267 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.492 12.860 3.753 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.242 13.456 1.554 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.332 11.969 1.377 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.499 13.099 0.307 1.00 20.81 H new ATOM 0 HE3 LYS A 11 5.097 14.679 0.772 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.642 13.852 -1.566 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.924 14.500 -0.660 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.766 12.818 -0.824 1.00 21.93 H new ATOM 190 N THR A 12 1.413 11.571 4.569 1.00 9.63 N ATOM 191 CA THR A 12 0.242 10.783 4.339 1.00 9.85 C ATOM 192 C THR A 12 -0.268 11.191 3.000 1.00 11.66 C ATOM 193 O THR A 12 -0.847 12.252 2.772 1.00 12.33 O ATOM 194 CB THR A 12 -0.799 11.094 5.373 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.362 10.860 6.704 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.981 10.127 5.188 1.00 9.63 C ATOM 0 H THR A 12 1.177 12.510 4.890 1.00 9.63 H new ATOM 0 HA THR A 12 0.467 9.718 4.389 1.00 9.85 H new ATOM 0 HB THR A 12 -1.045 12.147 5.239 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.083 11.083 7.329 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.747 10.341 5.934 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.401 10.253 4.190 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.634 9.101 5.309 1.00 9.63 H new ATOM 204 N ILE A 13 -0.081 10.251 2.056 1.00 10.42 N ATOM 205 CA ILE A 13 -0.280 10.310 0.641 1.00 11.84 C ATOM 206 C ILE A 13 -1.533 9.538 0.407 1.00 10.55 C ATOM 207 O ILE A 13 -1.861 8.524 1.022 1.00 11.92 O ATOM 208 CB ILE A 13 0.864 9.806 -0.188 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.059 8.285 -0.308 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.119 10.448 0.425 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.380 7.740 -0.847 1.00 16.46 C ATOM 0 H ILE A 13 0.255 9.327 2.327 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.351 11.348 0.317 1.00 11.84 H new ATOM 0 HB ILE A 13 0.651 10.084 -1.220 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.908 7.856 0.683 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.262 7.902 -0.946 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.000 10.126 -0.129 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.035 11.533 0.373 1.00 17.08 H new ATOM 0 HG23 ILE A 13 2.213 10.141 1.467 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.345 6.651 -0.863 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.542 8.113 -1.858 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.198 8.067 -0.204 1.00 16.46 H new ATOM 223 N THR A 14 -2.382 10.022 -0.517 1.00 9.39 N ATOM 224 CA THR A 14 -3.700 9.494 -0.688 1.00 9.63 C ATOM 225 C THR A 14 -3.749 8.744 -1.975 1.00 11.20 C ATOM 226 O THR A 14 -3.309 9.288 -2.986 1.00 11.63 O ATOM 227 CB THR A 14 -4.723 10.583 -0.821 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.641 11.700 0.051 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.042 9.910 -0.403 1.00 11.66 C ATOM 0 H THR A 14 -2.152 10.787 -1.152 1.00 9.39 H new ATOM 0 HA THR A 14 -3.916 8.875 0.183 1.00 9.63 H new ATOM 0 HB THR A 14 -4.601 10.973 -1.831 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.367 12.327 -0.151 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.856 10.632 -0.468 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.248 9.070 -1.067 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.958 9.550 0.622 1.00 11.66 H new ATOM 237 N LEU A 15 -4.273 7.505 -1.996 1.00 8.29 N ATOM 238 CA LEU A 15 -4.334 6.725 -3.192 1.00 9.03 C ATOM 239 C LEU A 15 -5.782 6.586 -3.515 1.00 8.59 C ATOM 240 O LEU A 15 -6.616 6.432 -2.624 1.00 7.79 O ATOM 241 CB LEU A 15 -3.706 5.330 -3.036 1.00 11.08 C ATOM 242 CG LEU A 15 -2.227 5.363 -2.616 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.790 3.943 -2.216 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.329 6.016 -3.680 1.00 15.88 C ATOM 0 H LEU A 15 -4.658 7.040 -1.174 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.766 7.221 -3.979 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.273 4.767 -2.295 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.795 4.793 -3.981 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.111 6.006 -1.744 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.742 3.956 -1.916 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.401 3.595 -1.383 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.917 3.271 -3.065 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.295 6.014 -3.334 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.401 5.455 -4.611 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.653 7.043 -3.849 1.00 15.88 H new ATOM 256 N GLU A 16 -6.071 6.673 -4.826 1.00 11.04 N ATOM 257 CA GLU A 16 -7.368 6.383 -5.354 1.00 11.50 C ATOM 258 C GLU A 16 -7.325 5.006 -5.923 1.00 10.13 C ATOM 259 O GLU A 16 -6.493 4.660 -6.760 1.00 9.83 O ATOM 260 CB GLU A 16 -7.699 7.400 -6.459 1.00 17.22 C ATOM 261 CG GLU A 16 -8.925 7.112 -7.328 1.00 23.33 C ATOM 262 CD GLU A 16 -9.121 8.052 -8.508 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.336 9.028 -8.643 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.091 7.854 -9.288 1.00 28.90 O ATOM 0 H GLU A 16 -5.390 6.950 -5.533 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.132 6.446 -4.579 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.838 8.375 -5.991 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -6.832 7.482 -7.114 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.851 6.092 -7.706 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.814 7.155 -6.699 1.00 23.33 H new ATOM 271 N VAL A 17 -8.260 4.114 -5.550 1.00 8.99 N ATOM 272 CA VAL A 17 -8.103 2.734 -5.891 1.00 8.85 C ATOM 273 C VAL A 17 -9.346 1.932 -6.074 1.00 8.04 C ATOM 274 O VAL A 17 -10.389 2.240 -5.501 1.00 8.99 O ATOM 275 CB VAL A 17 -7.246 1.946 -4.946 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.729 2.069 -5.167 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.616 2.111 -3.462 1.00 10.54 C ATOM 0 H VAL A 17 -9.105 4.340 -5.025 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.620 2.862 -6.860 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.497 0.921 -5.220 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.204 1.460 -4.431 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.478 1.723 -6.170 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.429 3.111 -5.057 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.946 1.507 -2.851 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.521 3.159 -3.178 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.644 1.785 -3.305 1.00 10.54 H new ATOM 287 N GLU A 18 -9.416 0.857 -6.879 1.00 7.29 N ATOM 288 CA GLU A 18 -10.558 -0.002 -6.929 1.00 7.08 C ATOM 289 C GLU A 18 -10.242 -1.152 -6.036 1.00 6.45 C ATOM 290 O GLU A 18 -9.062 -1.497 -6.002 1.00 5.28 O ATOM 291 CB GLU A 18 -10.697 -0.662 -8.312 1.00 10.28 C ATOM 292 CG GLU A 18 -11.327 0.348 -9.273 1.00 12.65 C ATOM 293 CD GLU A 18 -11.471 -0.165 -10.699 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.519 -0.818 -10.950 1.00 18.17 O ATOM 295 OE2 GLU A 18 -10.622 0.125 -11.583 1.00 14.33 O ATOM 0 H GLU A 18 -8.663 0.579 -7.509 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.446 0.577 -6.674 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.721 -0.977 -8.681 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.316 -1.557 -8.244 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.311 0.628 -8.897 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.720 1.253 -9.282 1.00 12.65 H new ATOM 302 N PRO A 19 -11.206 -1.749 -5.400 1.00 7.24 N ATOM 303 CA PRO A 19 -10.881 -2.699 -4.376 1.00 7.07 C ATOM 304 C PRO A 19 -10.569 -4.041 -4.942 1.00 6.65 C ATOM 305 O PRO A 19 -10.199 -4.952 -4.203 1.00 6.37 O ATOM 306 CB PRO A 19 -12.111 -2.780 -3.475 1.00 7.61 C ATOM 307 CG PRO A 19 -13.255 -2.267 -4.364 1.00 8.16 C ATOM 308 CD PRO A 19 -12.582 -1.279 -5.330 1.00 7.49 C ATOM 0 HA PRO A 19 -9.991 -2.384 -3.831 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.293 -3.801 -3.139 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.993 -2.166 -2.582 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.735 -3.084 -4.903 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.028 -1.778 -3.772 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.059 -1.289 -6.310 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.637 -0.256 -4.959 1.00 7.49 H new ATOM 316 N SER A 20 -10.781 -4.283 -6.248 1.00 6.80 N ATOM 317 CA SER A 20 -10.554 -5.512 -6.942 1.00 6.28 C ATOM 318 C SER A 20 -9.111 -5.642 -7.288 1.00 8.45 C ATOM 319 O SER A 20 -8.702 -6.704 -7.756 1.00 7.26 O ATOM 320 CB SER A 20 -11.325 -5.490 -8.272 1.00 8.57 C ATOM 321 OG SER A 20 -12.679 -5.374 -7.859 1.00 11.13 O ATOM 0 H SER A 20 -11.141 -3.558 -6.868 1.00 6.80 H new ATOM 0 HA SER A 20 -10.876 -6.334 -6.303 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.022 -4.652 -8.899 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.157 -6.398 -8.850 1.00 8.57 H new ATOM 0 HG SER A 20 -13.261 -5.350 -8.647 1.00 11.13 H new ATOM 327 N ASP A 21 -8.379 -4.524 -7.138 1.00 7.50 N ATOM 328 CA ASP A 21 -6.997 -4.477 -7.499 1.00 7.70 C ATOM 329 C ASP A 21 -6.168 -4.850 -6.319 1.00 7.08 C ATOM 330 O ASP A 21 -6.460 -4.677 -5.136 1.00 8.11 O ATOM 331 CB ASP A 21 -6.590 -3.107 -8.069 1.00 11.00 C ATOM 332 CG ASP A 21 -7.002 -3.034 -9.532 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.768 -4.045 -10.248 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.551 -2.013 -10.026 1.00 14.36 O ATOM 0 H ASP A 21 -8.747 -3.649 -6.765 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.824 -5.197 -8.299 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.068 -2.307 -7.503 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.513 -2.965 -7.974 1.00 11.00 H new ATOM 339 N THR A 22 -4.946 -5.372 -6.524 1.00 5.37 N ATOM 340 CA THR A 22 -4.006 -5.982 -5.635 1.00 6.01 C ATOM 341 C THR A 22 -3.111 -5.086 -4.850 1.00 8.01 C ATOM 342 O THR A 22 -2.947 -3.893 -5.099 1.00 8.11 O ATOM 343 CB THR A 22 -3.107 -6.870 -6.443 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.680 -6.229 -7.635 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.955 -8.023 -7.007 1.00 9.65 C ATOM 0 H THR A 22 -4.562 -5.361 -7.469 1.00 5.37 H new ATOM 0 HA THR A 22 -4.635 -6.487 -4.901 1.00 6.01 H new ATOM 0 HB THR A 22 -2.280 -7.156 -5.793 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.094 -6.832 -8.139 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.322 -8.684 -7.600 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.397 -8.585 -6.185 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.747 -7.618 -7.637 1.00 9.65 H new ATOM 353 N ILE A 23 -2.254 -5.563 -3.930 1.00 8.32 N ATOM 354 CA ILE A 23 -1.366 -4.725 -3.185 1.00 9.92 C ATOM 355 C ILE A 23 -0.161 -4.351 -3.977 1.00 10.01 C ATOM 356 O ILE A 23 0.411 -3.275 -3.812 1.00 8.71 O ATOM 357 CB ILE A 23 -1.077 -5.345 -1.851 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.348 -5.816 -1.123 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.294 -4.372 -0.953 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.242 -4.647 -0.714 1.00 12.30 C ATOM 0 H ILE A 23 -2.176 -6.553 -3.698 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.851 -3.771 -2.978 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.469 -6.227 -2.050 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.908 -6.490 -1.771 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.068 -6.385 -0.237 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.096 -4.844 0.009 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.651 -4.115 -1.432 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.881 -3.467 -0.799 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.127 -5.027 -0.204 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.692 -3.986 -0.044 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.545 -4.093 -1.602 1.00 12.30 H new ATOM 372 N GLU A 24 0.158 -5.232 -4.943 1.00 9.54 N ATOM 373 CA GLU A 24 1.087 -4.902 -5.979 1.00 11.81 C ATOM 374 C GLU A 24 0.898 -3.593 -6.664 1.00 11.14 C ATOM 375 O GLU A 24 1.814 -2.912 -7.122 1.00 10.62 O ATOM 376 CB GLU A 24 1.283 -6.073 -6.956 1.00 19.24 C ATOM 377 CG GLU A 24 2.629 -6.051 -7.683 1.00 27.76 C ATOM 378 CD GLU A 24 2.669 -7.346 -8.482 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.854 -7.354 -9.443 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.463 -8.288 -8.218 1.00 34.80 O ATOM 0 H GLU A 24 -0.228 -6.174 -5.006 1.00 9.54 H new ATOM 0 HA GLU A 24 2.023 -4.738 -5.444 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.192 -7.011 -6.408 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.481 -6.056 -7.694 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.710 -5.182 -8.336 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.458 -5.998 -6.977 1.00 27.76 H new ATOM 387 N ASN A 25 -0.382 -3.270 -6.925 1.00 9.43 N ATOM 388 CA ASN A 25 -0.891 -2.067 -7.507 1.00 10.96 C ATOM 389 C ASN A 25 -0.763 -0.906 -6.582 1.00 9.68 C ATOM 390 O ASN A 25 -0.322 0.195 -6.909 1.00 9.33 O ATOM 391 CB ASN A 25 -2.324 -2.359 -7.985 1.00 16.78 C ATOM 392 CG ASN A 25 -2.952 -1.086 -8.533 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.508 -0.228 -7.849 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.882 -0.937 -9.883 1.00 24.70 N ATOM 0 H ASN A 25 -1.136 -3.921 -6.704 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.301 -1.763 -8.372 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.311 -3.130 -8.755 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -2.922 -2.744 -7.159 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.290 -0.115 -10.327 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.421 -1.648 -10.451 1.00 24.70 H new ATOM 401 N VAL A 26 -1.064 -1.091 -5.284 1.00 6.52 N ATOM 402 CA VAL A 26 -0.965 -0.101 -4.257 1.00 5.53 C ATOM 403 C VAL A 26 0.461 0.250 -4.003 1.00 4.42 C ATOM 404 O VAL A 26 0.763 1.421 -3.781 1.00 3.40 O ATOM 405 CB VAL A 26 -1.683 -0.582 -3.031 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.590 0.450 -1.895 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.164 -0.808 -3.381 1.00 8.12 C ATOM 0 H VAL A 26 -1.397 -1.988 -4.931 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.450 0.821 -4.577 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.218 -1.509 -2.695 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.119 0.075 -1.019 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.543 0.619 -1.642 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.042 1.388 -2.218 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.697 -1.158 -2.497 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.604 0.129 -3.723 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.241 -1.555 -4.171 1.00 8.12 H new ATOM 417 N LYS A 27 1.408 -0.699 -4.118 1.00 2.64 N ATOM 418 CA LYS A 27 2.823 -0.500 -4.172 1.00 4.14 C ATOM 419 C LYS A 27 3.250 0.236 -5.395 1.00 5.58 C ATOM 420 O LYS A 27 4.179 1.034 -5.282 1.00 4.11 O ATOM 421 CB LYS A 27 3.750 -1.727 -4.202 1.00 3.97 C ATOM 422 CG LYS A 27 3.641 -2.629 -2.971 1.00 7.45 C ATOM 423 CD LYS A 27 4.750 -3.625 -2.626 1.00 9.02 C ATOM 424 CE LYS A 27 5.206 -4.470 -3.817 1.00 12.90 C ATOM 425 NZ LYS A 27 6.029 -5.639 -3.434 1.00 15.47 N ATOM 0 H LYS A 27 1.161 -1.687 -4.178 1.00 2.64 H new ATOM 0 HA LYS A 27 2.942 0.024 -3.223 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.525 -2.316 -5.091 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.781 -1.387 -4.298 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.517 -1.977 -2.107 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.719 -3.201 -3.074 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.606 -3.080 -2.229 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.399 -4.287 -1.834 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.329 -4.817 -4.363 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.778 -3.842 -4.500 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.650 -5.901 -4.226 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.608 -5.399 -2.604 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.408 -6.440 -3.202 1.00 15.47 H new ATOM 439 N ALA A 28 2.583 -0.048 -6.528 1.00 6.61 N ATOM 440 CA ALA A 28 2.977 0.507 -7.786 1.00 7.74 C ATOM 441 C ALA A 28 2.735 1.975 -7.864 1.00 9.17 C ATOM 442 O ALA A 28 3.435 2.711 -8.558 1.00 11.45 O ATOM 443 CB ALA A 28 2.231 -0.162 -8.953 1.00 7.68 C ATOM 0 H ALA A 28 1.770 -0.662 -6.573 1.00 6.61 H new ATOM 0 HA ALA A 28 4.048 0.319 -7.865 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.554 0.283 -9.894 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.452 -1.229 -8.962 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.158 -0.015 -8.831 1.00 7.68 H new ATOM 449 N LYS A 29 1.802 2.560 -7.093 1.00 8.96 N ATOM 450 CA LYS A 29 1.408 3.918 -6.881 1.00 7.90 C ATOM 451 C LYS A 29 2.473 4.620 -6.111 1.00 6.92 C ATOM 452 O LYS A 29 2.744 5.806 -6.296 1.00 6.87 O ATOM 453 CB LYS A 29 -0.006 4.036 -6.287 1.00 10.28 C ATOM 454 CG LYS A 29 -0.988 3.349 -7.237 1.00 14.94 C ATOM 455 CD LYS A 29 -2.364 3.110 -6.611 1.00 19.69 C ATOM 456 CE LYS A 29 -3.449 3.553 -7.595 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.639 2.454 -8.568 1.00 24.98 N ATOM 0 H LYS A 29 1.219 1.957 -6.513 1.00 8.96 H new ATOM 0 HA LYS A 29 1.318 4.429 -7.840 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.043 3.571 -5.302 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.276 5.084 -6.155 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.104 3.959 -8.133 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.569 2.394 -7.554 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.487 2.055 -6.366 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.454 3.666 -5.678 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.380 3.766 -7.070 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.154 4.470 -8.105 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.558 2.565 -9.042 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -2.879 2.483 -9.277 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.614 1.541 -8.070 1.00 24.98 H new ATOM 471 N ILE A 30 3.096 3.924 -5.143 1.00 4.57 N ATOM 472 CA ILE A 30 4.046 4.558 -4.283 1.00 5.58 C ATOM 473 C ILE A 30 5.339 4.635 -5.020 1.00 7.26 C ATOM 474 O ILE A 30 6.118 5.563 -4.807 1.00 9.46 O ATOM 475 CB ILE A 30 4.197 3.919 -2.935 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.840 3.832 -2.217 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.338 4.577 -2.141 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.931 2.852 -1.048 1.00 2.00 C ATOM 0 H ILE A 30 2.944 2.933 -4.957 1.00 4.57 H new ATOM 0 HA ILE A 30 3.676 5.555 -4.043 1.00 5.58 H new ATOM 0 HB ILE A 30 4.511 2.881 -3.045 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.547 4.817 -1.855 1.00 2.94 H new ATOM 0 HG13 ILE A 30 2.069 3.507 -2.916 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.428 4.096 -1.167 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.274 4.465 -2.688 1.00 2.78 H new ATOM 0 HG23 ILE A 30 5.122 5.637 -2.004 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.966 2.796 -0.544 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.204 1.865 -1.421 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.688 3.195 -0.343 1.00 2.00 H new ATOM 490 N GLN A 31 5.578 3.645 -5.899 1.00 7.06 N ATOM 491 CA GLN A 31 6.725 3.555 -6.749 1.00 8.67 C ATOM 492 C GLN A 31 6.729 4.580 -7.831 1.00 10.90 C ATOM 493 O GLN A 31 7.800 5.050 -8.210 1.00 9.63 O ATOM 494 CB GLN A 31 6.727 2.107 -7.267 1.00 9.12 C ATOM 495 CG GLN A 31 8.005 1.551 -7.898 1.00 10.76 C ATOM 496 CD GLN A 31 8.393 2.283 -9.174 1.00 13.78 C ATOM 497 OE1 GLN A 31 9.502 2.772 -9.384 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.573 2.114 -10.245 1.00 14.76 N ATOM 0 H GLN A 31 4.934 2.864 -6.023 1.00 7.06 H new ATOM 0 HA GLN A 31 7.645 3.775 -6.208 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.462 1.458 -6.433 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.930 2.020 -8.005 1.00 9.12 H new ATOM 0 HG2 GLN A 31 8.822 1.623 -7.180 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.866 0.493 -8.118 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.644 1.712 -10.118 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.887 2.389 -11.176 1.00 14.76 H new ATOM 507 N ASP A 32 5.547 4.994 -8.321 1.00 10.93 N ATOM 508 CA ASP A 32 5.464 5.902 -9.423 1.00 14.01 C ATOM 509 C ASP A 32 5.611 7.354 -9.124 1.00 14.04 C ATOM 510 O ASP A 32 6.479 8.035 -9.669 1.00 13.39 O ATOM 511 CB ASP A 32 4.127 5.640 -10.136 1.00 18.01 C ATOM 512 CG ASP A 32 3.785 6.363 -11.431 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.346 5.945 -12.479 1.00 25.17 O ATOM 514 OD2 ASP A 32 2.836 7.188 -11.513 1.00 26.29 O ATOM 0 H ASP A 32 4.644 4.698 -7.952 1.00 10.93 H new ATOM 0 HA ASP A 32 6.336 5.695 -10.044 1.00 14.01 H new ATOM 0 HB2 ASP A 32 4.077 4.571 -10.342 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.333 5.865 -9.423 1.00 18.01 H new ATOM 519 N LYS A 33 4.804 7.829 -8.158 1.00 14.22 N ATOM 520 CA LYS A 33 4.771 9.205 -7.771 1.00 14.00 C ATOM 521 C LYS A 33 5.771 9.621 -6.748 1.00 12.37 C ATOM 522 O LYS A 33 6.600 10.515 -6.913 1.00 12.17 O ATOM 523 CB LYS A 33 3.342 9.630 -7.391 1.00 18.62 C ATOM 524 CG LYS A 33 3.112 11.142 -7.441 1.00 24.00 C ATOM 525 CD LYS A 33 1.710 11.569 -7.001 1.00 27.61 C ATOM 526 CE LYS A 33 0.512 11.257 -7.899 1.00 27.64 C ATOM 527 NZ LYS A 33 0.798 11.898 -9.202 1.00 30.06 N ATOM 0 H LYS A 33 4.158 7.241 -7.632 1.00 14.22 H new ATOM 0 HA LYS A 33 5.086 9.751 -8.660 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.637 9.142 -8.064 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.122 9.272 -6.385 1.00 18.62 H new ATOM 0 HG2 LYS A 33 3.848 11.633 -6.804 1.00 24.00 H new ATOM 0 HG3 LYS A 33 3.286 11.493 -8.458 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.519 11.112 -6.030 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.730 12.648 -6.846 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.381 10.181 -8.014 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.410 11.646 -7.467 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.071 11.926 -9.773 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.140 12.867 -9.044 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.526 11.352 -9.705 1.00 30.06 H new ATOM 541 N GLU A 34 5.762 8.905 -5.609 1.00 10.11 N ATOM 542 CA GLU A 34 6.697 9.142 -4.553 1.00 10.07 C ATOM 543 C GLU A 34 8.087 8.694 -4.847 1.00 9.32 C ATOM 544 O GLU A 34 9.043 9.418 -4.575 1.00 11.61 O ATOM 545 CB GLU A 34 6.058 8.646 -3.245 1.00 14.77 C ATOM 546 CG GLU A 34 6.649 9.203 -1.948 1.00 18.75 C ATOM 547 CD GLU A 34 6.217 10.657 -1.819 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.018 10.952 -1.570 1.00 25.19 O ATOM 549 OE2 GLU A 34 7.152 11.500 -1.766 1.00 21.95 O ATOM 0 H GLU A 34 5.099 8.154 -5.419 1.00 10.11 H new ATOM 0 HA GLU A 34 6.881 10.210 -4.438 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.996 8.890 -3.269 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.135 7.559 -3.217 1.00 14.77 H new ATOM 0 HG2 GLU A 34 6.301 8.625 -1.092 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.736 9.129 -1.962 1.00 18.75 H new ATOM 556 N GLY A 35 8.368 7.548 -5.492 1.00 7.22 N ATOM 557 CA GLY A 35 9.624 7.038 -5.946 1.00 6.29 C ATOM 558 C GLY A 35 10.381 6.208 -4.968 1.00 6.93 C ATOM 559 O GLY A 35 11.554 6.492 -4.734 1.00 7.41 O ATOM 0 H GLY A 35 7.615 6.900 -5.722 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.450 6.441 -6.841 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.251 7.880 -6.241 1.00 6.29 H new ATOM 563 N ILE A 36 9.738 5.183 -4.380 1.00 5.86 N ATOM 564 CA ILE A 36 10.245 4.307 -3.369 1.00 6.07 C ATOM 565 C ILE A 36 10.365 2.945 -3.961 1.00 6.36 C ATOM 566 O ILE A 36 9.433 2.494 -4.625 1.00 6.18 O ATOM 567 CB ILE A 36 9.438 4.244 -2.106 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.383 5.653 -1.490 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.990 3.249 -1.072 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.244 5.725 -0.474 1.00 9.49 C ATOM 0 H ILE A 36 8.779 4.948 -4.636 1.00 5.86 H new ATOM 0 HA ILE A 36 11.207 4.714 -3.058 1.00 6.07 H new ATOM 0 HB ILE A 36 8.444 3.886 -2.373 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.331 5.886 -1.005 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.233 6.397 -2.272 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.356 3.257 -0.185 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.001 2.247 -1.501 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.004 3.537 -0.796 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.207 6.724 -0.039 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.298 5.511 -0.972 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.413 4.992 0.315 1.00 9.49 H new ATOM 582 N PRO A 37 11.418 2.184 -3.921 1.00 8.65 N ATOM 583 CA PRO A 37 11.538 1.047 -4.787 1.00 9.18 C ATOM 584 C PRO A 37 10.706 -0.076 -4.272 1.00 9.85 C ATOM 585 O PRO A 37 10.522 -0.108 -3.057 1.00 8.51 O ATOM 586 CB PRO A 37 13.014 0.663 -4.714 1.00 11.42 C ATOM 587 CG PRO A 37 13.727 1.991 -4.414 1.00 9.27 C ATOM 588 CD PRO A 37 12.711 2.708 -3.510 1.00 8.33 C ATOM 0 HA PRO A 37 11.208 1.264 -5.803 1.00 9.18 H new ATOM 0 HB2 PRO A 37 13.197 -0.074 -3.932 1.00 11.42 H new ATOM 0 HB3 PRO A 37 13.360 0.226 -5.651 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.681 1.836 -3.911 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.934 2.556 -5.323 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.905 2.504 -2.457 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.760 3.789 -3.639 1.00 8.33 H new ATOM 596 N PRO A 38 10.163 -0.938 -5.080 1.00 8.71 N ATOM 597 CA PRO A 38 9.005 -1.709 -4.730 1.00 9.08 C ATOM 598 C PRO A 38 9.268 -2.767 -3.714 1.00 9.28 C ATOM 599 O PRO A 38 8.384 -3.307 -3.051 1.00 6.50 O ATOM 600 CB PRO A 38 8.527 -2.169 -6.106 1.00 10.31 C ATOM 601 CG PRO A 38 9.866 -2.516 -6.776 1.00 10.81 C ATOM 602 CD PRO A 38 10.678 -1.267 -6.400 1.00 12.00 C ATOM 0 HA PRO A 38 8.229 -1.161 -4.195 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.860 -3.029 -6.045 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.989 -1.386 -6.640 1.00 10.31 H new ATOM 0 HG2 PRO A 38 10.304 -3.433 -6.383 1.00 10.81 H new ATOM 0 HG3 PRO A 38 9.773 -2.644 -7.854 1.00 10.81 H new ATOM 0 HD2 PRO A 38 11.748 -1.471 -6.378 1.00 12.00 H new ATOM 0 HD3 PRO A 38 10.523 -0.454 -7.110 1.00 12.00 H new ATOM 610 N ASP A 39 10.526 -3.231 -3.612 1.00 11.20 N ATOM 611 CA ASP A 39 11.033 -4.145 -2.636 1.00 14.96 C ATOM 612 C ASP A 39 10.946 -3.543 -1.276 1.00 13.99 C ATOM 613 O ASP A 39 10.338 -4.048 -0.333 1.00 13.75 O ATOM 614 CB ASP A 39 12.377 -4.807 -2.982 1.00 24.16 C ATOM 615 CG ASP A 39 13.543 -3.835 -2.875 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.716 -2.971 -3.776 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.449 -4.115 -2.045 1.00 35.55 O ATOM 0 H ASP A 39 11.249 -2.941 -4.270 1.00 11.20 H new ATOM 0 HA ASP A 39 10.378 -5.016 -2.644 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.547 -5.650 -2.313 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.332 -5.208 -3.995 1.00 24.16 H new ATOM 622 N GLN A 40 11.502 -2.330 -1.106 1.00 11.60 N ATOM 623 CA GLN A 40 11.571 -1.588 0.115 1.00 10.76 C ATOM 624 C GLN A 40 10.286 -1.277 0.801 1.00 8.01 C ATOM 625 O GLN A 40 10.240 -1.010 2.000 1.00 8.96 O ATOM 626 CB GLN A 40 12.421 -0.318 -0.064 1.00 11.14 C ATOM 627 CG GLN A 40 13.828 -0.676 -0.545 1.00 14.85 C ATOM 628 CD GLN A 40 14.656 0.597 -0.637 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.565 1.485 0.209 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.503 0.642 -1.700 1.00 18.16 N ATOM 0 H GLN A 40 11.936 -1.831 -1.882 1.00 11.60 H new ATOM 0 HA GLN A 40 12.054 -2.283 0.802 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.943 0.348 -0.783 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.480 0.223 0.881 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.294 -1.380 0.144 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.781 -1.166 -1.517 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.528 -0.131 -2.365 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.114 1.448 -1.832 1.00 18.16 H new ATOM 639 N GLN A 41 9.153 -1.457 0.099 1.00 6.52 N ATOM 640 CA GLN A 41 7.832 -1.189 0.577 1.00 3.87 C ATOM 641 C GLN A 41 7.252 -2.437 1.148 1.00 4.79 C ATOM 642 O GLN A 41 6.704 -3.239 0.394 1.00 6.34 O ATOM 643 CB GLN A 41 6.954 -0.731 -0.600 1.00 4.20 C ATOM 644 CG GLN A 41 7.659 0.398 -1.355 1.00 3.20 C ATOM 645 CD GLN A 41 6.644 0.766 -2.428 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.449 0.497 -2.317 1.00 5.21 O ATOM 647 NE2 GLN A 41 7.111 1.387 -3.544 1.00 7.13 N ATOM 0 H GLN A 41 9.160 -1.810 -0.858 1.00 6.52 H new ATOM 0 HA GLN A 41 7.871 -0.413 1.341 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.763 -1.568 -1.272 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.986 -0.389 -0.234 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.884 1.242 -0.703 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.604 0.068 -1.787 1.00 3.20 H new ATOM 0 HE21 GLN A 41 8.104 1.606 -3.628 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.469 1.633 -4.297 1.00 7.13 H new ATOM 656 N ARG A 42 7.358 -2.612 2.478 1.00 5.73 N ATOM 657 CA ARG A 42 6.422 -3.475 3.128 1.00 6.97 C ATOM 658 C ARG A 42 5.232 -2.694 3.568 1.00 7.15 C ATOM 659 O ARG A 42 5.371 -1.581 4.073 1.00 7.33 O ATOM 660 CB ARG A 42 7.067 -4.102 4.376 1.00 13.23 C ATOM 661 CG ARG A 42 6.197 -4.738 5.462 1.00 21.27 C ATOM 662 CD ARG A 42 6.931 -5.448 6.601 1.00 26.14 C ATOM 663 NE ARG A 42 7.679 -6.656 6.151 1.00 32.26 N ATOM 664 CZ ARG A 42 8.458 -7.475 6.916 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.955 -7.109 8.133 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.879 -8.678 6.425 1.00 36.39 N ATOM 0 H ARG A 42 8.058 -2.178 3.080 1.00 5.73 H new ATOM 0 HA ARG A 42 6.125 -4.253 2.424 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.761 -4.868 4.029 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.663 -3.325 4.855 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.569 -3.959 5.895 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.530 -5.457 4.986 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.626 -4.750 7.068 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.210 -5.738 7.365 1.00 26.14 H new ATOM 0 HE ARG A 42 7.600 -6.897 5.163 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.749 -6.184 8.511 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.533 -7.760 8.665 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.611 -8.967 5.484 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.461 -9.288 6.999 1.00 36.39 H new ATOM 680 N LEU A 43 4.038 -3.307 3.468 1.00 4.65 N ATOM 681 CA LEU A 43 2.834 -2.615 3.810 1.00 3.51 C ATOM 682 C LEU A 43 2.162 -3.359 4.913 1.00 5.56 C ATOM 683 O LEU A 43 1.987 -4.575 4.848 1.00 4.19 O ATOM 684 CB LEU A 43 1.918 -2.445 2.587 1.00 3.74 C ATOM 685 CG LEU A 43 2.175 -1.131 1.829 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.283 -1.048 0.579 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.948 0.134 2.674 1.00 9.55 C ATOM 0 H LEU A 43 3.907 -4.269 3.155 1.00 4.65 H new ATOM 0 HA LEU A 43 3.071 -1.607 4.150 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.065 -3.285 1.909 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.878 -2.475 2.911 1.00 3.74 H new ATOM 0 HG LEU A 43 3.231 -1.157 1.559 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.478 -0.112 0.055 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.503 -1.887 -0.081 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.235 -1.086 0.877 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.150 1.017 2.068 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.915 0.160 3.020 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.618 0.123 3.533 1.00 9.55 H new ATOM 699 N ILE A 44 1.663 -2.666 5.951 1.00 4.58 N ATOM 700 CA ILE A 44 0.990 -3.158 7.113 1.00 5.55 C ATOM 701 C ILE A 44 -0.360 -2.528 7.110 1.00 5.46 C ATOM 702 O ILE A 44 -0.539 -1.349 6.808 1.00 6.04 O ATOM 703 CB ILE A 44 1.695 -2.784 8.384 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.996 -3.592 8.524 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.856 -2.970 9.659 1.00 7.39 C ATOM 706 CD1 ILE A 44 2.917 -5.061 8.937 1.00 13.90 C ATOM 0 H ILE A 44 1.741 -1.649 5.976 1.00 4.58 H new ATOM 0 HA ILE A 44 0.953 -4.247 7.078 1.00 5.55 H new ATOM 0 HB ILE A 44 1.897 -1.716 8.297 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.515 -3.547 7.567 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.625 -3.079 9.252 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.445 -2.676 10.528 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.039 -2.350 9.600 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.566 -4.016 9.755 1.00 7.39 H new ATOM 0 HD11 ILE A 44 3.922 -5.479 8.988 1.00 13.90 H new ATOM 0 HD12 ILE A 44 2.442 -5.139 9.915 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.331 -5.614 8.203 1.00 13.90 H new ATOM 718 N PHE A 45 -1.418 -3.291 7.437 1.00 6.75 N ATOM 719 CA PHE A 45 -2.747 -2.888 7.778 1.00 4.70 C ATOM 720 C PHE A 45 -2.937 -3.234 9.215 1.00 6.34 C ATOM 721 O PHE A 45 -2.953 -4.436 9.475 1.00 5.45 O ATOM 722 CB PHE A 45 -3.700 -3.663 6.852 1.00 5.51 C ATOM 723 CG PHE A 45 -5.137 -3.281 6.939 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.448 -1.948 6.809 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.183 -4.143 7.170 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.752 -1.517 6.874 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.485 -3.712 7.266 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.799 -2.387 7.072 1.00 6.84 C ATOM 0 H PHE A 45 -1.328 -4.307 7.464 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.938 -1.823 7.648 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.368 -3.526 5.823 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.611 -4.726 7.077 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.657 -1.229 6.654 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.974 -5.197 7.280 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.961 -0.463 6.766 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.268 -4.420 7.496 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.823 -2.044 7.075 1.00 6.84 H new ATOM 738 N ALA A 46 -3.114 -2.244 10.108 1.00 6.53 N ATOM 739 CA ALA A 46 -3.177 -2.431 11.524 1.00 7.15 C ATOM 740 C ALA A 46 -1.967 -2.997 12.184 1.00 9.00 C ATOM 741 O ALA A 46 -1.145 -2.212 12.654 1.00 11.15 O ATOM 742 CB ALA A 46 -4.471 -3.184 11.875 1.00 8.99 C ATOM 0 H ALA A 46 -3.218 -1.268 9.830 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.197 -1.431 11.956 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.526 -3.330 12.954 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.331 -2.603 11.543 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.474 -4.154 11.377 1.00 8.99 H new ATOM 748 N GLY A 47 -1.818 -4.332 12.258 1.00 9.35 N ATOM 749 CA GLY A 47 -0.797 -5.091 12.911 1.00 11.68 C ATOM 750 C GLY A 47 -0.533 -6.277 12.048 1.00 11.14 C ATOM 751 O GLY A 47 0.208 -7.150 12.497 1.00 13.93 O ATOM 0 H GLY A 47 -2.494 -4.947 11.806 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.107 -4.496 13.039 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -1.119 -5.399 13.906 1.00 11.68 H new ATOM 755 N LYS A 48 -1.086 -6.387 10.827 1.00 10.47 N ATOM 756 CA LYS A 48 -1.031 -7.510 9.944 1.00 8.82 C ATOM 757 C LYS A 48 -0.507 -7.136 8.600 1.00 7.68 C ATOM 758 O LYS A 48 -0.694 -5.980 8.225 1.00 6.47 O ATOM 759 CB LYS A 48 -2.365 -8.263 9.804 1.00 9.74 C ATOM 760 CG LYS A 48 -3.290 -7.723 8.712 1.00 14.14 C ATOM 761 CD LYS A 48 -4.799 -7.945 8.830 1.00 16.32 C ATOM 762 CE LYS A 48 -5.354 -6.966 9.866 1.00 20.04 C ATOM 763 NZ LYS A 48 -6.827 -7.077 9.957 1.00 23.92 N ATOM 0 H LYS A 48 -1.620 -5.618 10.423 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.332 -8.200 10.417 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.155 -9.312 9.597 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.890 -8.225 10.758 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -3.122 -6.648 8.642 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.968 -8.158 7.766 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -5.281 -7.789 7.865 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -5.009 -8.972 9.129 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.909 -7.169 10.840 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.078 -5.947 9.595 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -7.183 -6.404 10.666 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -7.249 -6.861 9.032 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -7.086 -8.044 10.238 1.00 23.92 H new ATOM 777 N GLN A 49 0.255 -8.016 7.926 1.00 8.89 N ATOM 778 CA GLN A 49 1.090 -7.594 6.844 1.00 7.18 C ATOM 779 C GLN A 49 0.485 -7.948 5.529 1.00 8.23 C ATOM 780 O GLN A 49 0.103 -9.084 5.254 1.00 9.70 O ATOM 781 CB GLN A 49 2.450 -8.309 6.921 1.00 11.67 C ATOM 782 CG GLN A 49 3.592 -7.731 6.083 1.00 15.82 C ATOM 783 CD GLN A 49 4.887 -8.333 6.610 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.409 -7.875 7.625 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.417 -9.402 5.957 1.00 20.67 N ATOM 0 H GLN A 49 0.293 -9.015 8.129 1.00 8.89 H new ATOM 0 HA GLN A 49 1.205 -6.513 6.926 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.768 -8.319 7.964 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.303 -9.347 6.622 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.456 -7.973 5.029 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.614 -6.644 6.160 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.964 -9.762 5.117 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.267 -9.843 6.307 1.00 20.67 H new ATOM 794 N LEU A 50 0.505 -6.978 4.597 1.00 6.51 N ATOM 795 CA LEU A 50 -0.095 -7.095 3.305 1.00 7.41 C ATOM 796 C LEU A 50 0.833 -7.768 2.353 1.00 8.27 C ATOM 797 O LEU A 50 2.005 -7.395 2.391 1.00 8.34 O ATOM 798 CB LEU A 50 -0.600 -5.720 2.838 1.00 7.13 C ATOM 799 CG LEU A 50 -1.577 -5.048 3.817 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.866 -3.588 3.429 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.861 -5.878 3.984 1.00 8.14 C ATOM 0 H LEU A 50 0.957 -6.077 4.750 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.973 -7.740 3.353 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.256 -5.062 2.686 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.091 -5.833 1.871 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.093 -5.014 4.793 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.560 -3.151 4.147 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.936 -3.020 3.432 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.307 -3.557 2.433 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.531 -5.376 4.682 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.355 -5.982 3.018 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.608 -6.865 4.370 1.00 8.14 H new ATOM 813 N GLU A 51 0.284 -8.591 1.442 1.00 9.43 N ATOM 814 CA GLU A 51 1.034 -9.422 0.551 1.00 11.90 C ATOM 815 C GLU A 51 0.492 -9.350 -0.835 1.00 11.49 C ATOM 816 O GLU A 51 -0.659 -8.961 -1.025 1.00 9.88 O ATOM 817 CB GLU A 51 1.103 -10.852 1.112 1.00 16.56 C ATOM 818 CG GLU A 51 2.400 -11.601 0.798 1.00 26.06 C ATOM 819 CD GLU A 51 2.428 -13.036 1.305 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.463 -13.499 1.970 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.486 -13.696 1.126 1.00 33.44 O ATOM 0 H GLU A 51 -0.725 -8.681 1.321 1.00 9.43 H new ATOM 0 HA GLU A 51 2.059 -9.056 0.481 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.977 -10.810 2.194 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.264 -11.424 0.715 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.552 -11.605 -0.281 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.237 -11.056 1.236 1.00 26.06 H new ATOM 828 N ASP A 52 1.323 -9.654 -1.848 1.00 12.71 N ATOM 829 CA ASP A 52 1.117 -8.951 -3.076 1.00 16.56 C ATOM 830 C ASP A 52 -0.055 -9.312 -3.922 1.00 15.83 C ATOM 831 O ASP A 52 -0.762 -8.436 -4.418 1.00 17.21 O ATOM 832 CB ASP A 52 2.344 -9.044 -3.999 1.00 21.05 C ATOM 833 CG ASP A 52 3.625 -8.579 -3.321 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.064 -9.163 -2.294 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.240 -7.580 -3.780 1.00 28.37 O ATOM 0 H ASP A 52 2.083 -10.334 -1.828 1.00 12.71 H new ATOM 0 HA ASP A 52 0.922 -7.952 -2.687 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.467 -10.075 -4.331 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.170 -8.441 -4.890 1.00 21.05 H new ATOM 840 N GLY A 53 -0.252 -10.608 -4.223 1.00 15.00 N ATOM 841 CA GLY A 53 -1.343 -10.981 -5.069 1.00 11.77 C ATOM 842 C GLY A 53 -2.751 -10.892 -4.592 1.00 11.10 C ATOM 843 O GLY A 53 -3.652 -11.302 -5.323 1.00 11.25 O ATOM 0 H GLY A 53 0.327 -11.380 -3.891 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.272 -10.370 -5.969 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.173 -12.014 -5.371 1.00 11.77 H new ATOM 847 N ARG A 54 -2.986 -10.412 -3.358 1.00 8.53 N ATOM 848 CA ARG A 54 -4.280 -10.387 -2.750 1.00 9.05 C ATOM 849 C ARG A 54 -4.791 -8.988 -2.719 1.00 8.96 C ATOM 850 O ARG A 54 -4.067 -8.002 -2.850 1.00 11.60 O ATOM 851 CB ARG A 54 -4.012 -10.940 -1.340 1.00 7.97 C ATOM 852 CG ARG A 54 -5.239 -11.261 -0.485 1.00 9.62 C ATOM 853 CD ARG A 54 -5.038 -12.081 0.791 1.00 12.20 C ATOM 854 NE ARG A 54 -6.380 -12.462 1.314 1.00 18.23 N ATOM 855 CZ ARG A 54 -6.665 -12.839 2.595 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.725 -13.211 3.512 1.00 23.38 N ATOM 857 NH2 ARG A 54 -7.996 -12.833 2.895 1.00 25.50 N ATOM 0 H ARG A 54 -2.251 -10.029 -2.764 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.038 -10.966 -3.278 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.418 -11.849 -1.438 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.401 -10.216 -0.801 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.705 -10.317 -0.204 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -5.953 -11.793 -1.114 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.445 -12.971 0.582 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.491 -11.501 1.534 1.00 12.20 H new ATOM 0 HE ARG A 54 -7.158 -12.439 0.654 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.738 -13.219 3.256 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.010 -13.481 4.453 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -8.677 -12.562 2.186 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -8.310 -13.100 3.828 1.00 25.50 H new ATOM 871 N THR A 55 -6.124 -8.834 -2.806 1.00 9.05 N ATOM 872 CA THR A 55 -6.854 -7.653 -3.150 1.00 9.03 C ATOM 873 C THR A 55 -7.192 -6.857 -1.937 1.00 8.15 C ATOM 874 O THR A 55 -7.155 -7.373 -0.821 1.00 5.91 O ATOM 875 CB THR A 55 -8.106 -7.944 -3.924 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.053 -8.850 -3.375 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.731 -8.539 -5.291 1.00 11.71 C ATOM 0 H THR A 55 -6.751 -9.616 -2.616 1.00 9.05 H new ATOM 0 HA THR A 55 -6.195 -7.072 -3.795 1.00 9.03 H new ATOM 0 HB THR A 55 -8.590 -6.968 -3.939 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.813 -8.939 -3.987 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.638 -8.752 -5.856 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.119 -7.826 -5.843 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.170 -9.462 -5.145 1.00 11.71 H new ATOM 885 N LEU A 56 -7.490 -5.551 -2.058 1.00 6.91 N ATOM 886 CA LEU A 56 -7.985 -4.649 -1.065 1.00 8.29 C ATOM 887 C LEU A 56 -9.271 -5.188 -0.540 1.00 8.05 C ATOM 888 O LEU A 56 -9.412 -5.170 0.682 1.00 10.17 O ATOM 889 CB LEU A 56 -8.074 -3.184 -1.526 1.00 6.60 C ATOM 890 CG LEU A 56 -6.748 -2.566 -2.001 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.901 -1.458 -3.057 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.931 -1.999 -0.828 1.00 9.85 C ATOM 0 H LEU A 56 -7.369 -5.078 -2.953 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.259 -4.598 -0.254 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.798 -3.119 -2.338 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.462 -2.584 -0.703 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.225 -3.401 -2.469 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.917 -1.080 -3.333 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.395 -1.863 -3.940 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.500 -0.645 -2.647 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.002 -1.572 -1.205 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.508 -1.224 -0.323 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.703 -2.799 -0.123 1.00 9.85 H new ATOM 904 N SER A 57 -10.225 -5.668 -1.358 1.00 8.92 N ATOM 905 CA SER A 57 -11.465 -6.230 -0.921 1.00 9.00 C ATOM 906 C SER A 57 -11.326 -7.391 0.002 1.00 9.44 C ATOM 907 O SER A 57 -11.902 -7.457 1.087 1.00 10.91 O ATOM 908 CB SER A 57 -12.256 -6.633 -2.177 1.00 10.32 C ATOM 909 OG SER A 57 -13.643 -6.685 -1.877 1.00 13.59 O ATOM 0 H SER A 57 -10.126 -5.664 -2.373 1.00 8.92 H new ATOM 0 HA SER A 57 -11.986 -5.473 -0.334 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.075 -5.916 -2.978 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.916 -7.604 -2.536 1.00 10.32 H new ATOM 0 HG SER A 57 -14.142 -6.940 -2.681 1.00 13.59 H new ATOM 915 N ASP A 58 -10.496 -8.374 -0.392 1.00 9.11 N ATOM 916 CA ASP A 58 -10.168 -9.499 0.427 1.00 7.91 C ATOM 917 C ASP A 58 -9.503 -9.128 1.708 1.00 9.12 C ATOM 918 O ASP A 58 -9.895 -9.635 2.758 1.00 8.61 O ATOM 919 CB ASP A 58 -9.330 -10.421 -0.475 1.00 8.41 C ATOM 920 CG ASP A 58 -9.341 -11.867 0.001 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.120 -12.318 0.883 1.00 10.05 O ATOM 922 OD2 ASP A 58 -8.417 -12.587 -0.462 1.00 11.70 O ATOM 0 H ASP A 58 -10.041 -8.386 -1.305 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.063 -10.012 0.779 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.714 -10.374 -1.494 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.302 -10.059 -0.505 1.00 8.41 H new ATOM 927 N TYR A 59 -8.638 -8.102 1.802 1.00 7.97 N ATOM 928 CA TYR A 59 -7.993 -7.659 2.999 1.00 8.45 C ATOM 929 C TYR A 59 -8.805 -6.816 3.920 1.00 10.98 C ATOM 930 O TYR A 59 -8.397 -6.314 4.966 1.00 12.95 O ATOM 931 CB TYR A 59 -6.614 -7.013 2.783 1.00 7.94 C ATOM 932 CG TYR A 59 -5.444 -7.926 2.660 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.070 -8.775 3.675 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.673 -7.907 1.522 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.881 -9.460 3.588 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.540 -8.678 1.410 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.071 -9.405 2.479 1.00 6.76 C ATOM 938 OH TYR A 59 -1.935 -10.237 2.381 1.00 7.63 O ATOM 0 H TYR A 59 -8.373 -7.547 0.989 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.852 -8.614 3.506 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.664 -6.405 1.880 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.426 -6.334 3.614 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.708 -8.903 4.537 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.964 -7.273 0.698 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.571 -10.067 4.426 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.011 -8.713 0.469 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.860 -10.582 1.467 1.00 7.63 H new ATOM 948 N ASN A 60 -10.075 -6.617 3.524 1.00 12.38 N ATOM 949 CA ASN A 60 -11.046 -5.840 4.230 1.00 13.94 C ATOM 950 C ASN A 60 -10.752 -4.381 4.156 1.00 14.16 C ATOM 951 O ASN A 60 -11.177 -3.654 5.053 1.00 14.26 O ATOM 952 CB ASN A 60 -11.467 -6.394 5.602 1.00 19.23 C ATOM 953 CG ASN A 60 -11.632 -7.900 5.746 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.909 -8.517 6.527 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.733 -8.435 5.154 1.00 24.09 N ATOM 0 H ASN A 60 -10.444 -7.021 2.663 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.984 -5.958 3.688 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.729 -6.068 6.334 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.414 -5.927 5.874 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.999 -9.400 5.350 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.293 -7.871 4.514 1.00 24.09 H new ATOM 962 N ILE A 61 -10.204 -3.881 3.035 1.00 11.08 N ATOM 963 CA ILE A 61 -9.619 -2.578 2.965 1.00 11.78 C ATOM 964 C ILE A 61 -10.600 -1.731 2.229 1.00 13.74 C ATOM 965 O ILE A 61 -10.701 -1.799 1.005 1.00 14.60 O ATOM 966 CB ILE A 61 -8.250 -2.503 2.357 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.294 -3.373 3.191 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.755 -1.050 2.272 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.788 -3.194 3.009 1.00 11.42 C ATOM 0 H ILE A 61 -10.166 -4.395 2.155 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.434 -2.228 3.981 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.285 -2.880 1.335 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.522 -3.199 4.243 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.530 -4.416 2.982 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.760 -1.030 1.827 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.440 -0.468 1.656 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.713 -0.621 3.273 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.258 -3.881 3.669 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.519 -3.405 1.974 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.511 -2.169 3.254 1.00 11.42 H new ATOM 981 N GLN A 62 -11.426 -0.943 2.939 1.00 13.97 N ATOM 982 CA GLN A 62 -12.494 -0.148 2.418 1.00 15.52 C ATOM 983 C GLN A 62 -12.170 1.307 2.431 1.00 13.94 C ATOM 984 O GLN A 62 -11.030 1.764 2.385 1.00 12.15 O ATOM 985 CB GLN A 62 -13.826 -0.488 3.106 1.00 19.53 C ATOM 986 CG GLN A 62 -14.174 -1.972 2.982 1.00 26.38 C ATOM 987 CD GLN A 62 -15.244 -2.363 3.992 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.314 -1.756 4.019 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.911 -3.342 4.874 1.00 32.71 N ATOM 0 H GLN A 62 -11.340 -0.856 3.952 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.619 -0.403 1.366 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.769 -0.216 4.160 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.624 0.109 2.665 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.526 -2.184 1.972 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.280 -2.574 3.141 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.007 -3.809 4.800 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.565 -3.609 5.610 1.00 32.71 H new ATOM 998 N LYS A 63 -13.206 2.161 2.514 1.00 11.73 N ATOM 999 CA LYS A 63 -13.091 3.575 2.339 1.00 11.97 C ATOM 1000 C LYS A 63 -12.464 4.364 3.436 1.00 10.41 C ATOM 1001 O LYS A 63 -12.907 4.276 4.580 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.462 4.171 1.976 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.231 3.365 0.927 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.032 4.316 0.035 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.976 3.765 -1.036 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.742 2.610 -0.518 1.00 25.97 N ATOM 0 H LYS A 63 -14.159 1.855 2.710 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.372 3.669 1.525 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -15.067 4.243 2.880 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.319 5.187 1.607 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.537 2.781 0.322 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.901 2.658 1.416 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.627 4.950 0.693 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.315 4.964 -0.470 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.663 4.547 -1.359 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.402 3.463 -1.912 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.412 2.284 -1.244 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.087 1.838 -0.280 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.266 2.895 0.334 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.320 5.005 3.135 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.682 6.064 3.854 1.00 10.94 C ATOM 1022 C GLU A 64 -9.921 5.423 4.963 1.00 9.74 C ATOM 1023 O GLU A 64 -10.013 5.837 6.118 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.628 7.143 4.407 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.074 8.004 3.223 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.293 8.856 3.548 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.892 8.650 4.637 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.573 9.742 2.697 1.00 31.72 O ATOM 0 H GLU A 64 -10.790 4.753 2.301 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.044 6.608 3.157 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.488 6.686 4.896 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.121 7.752 5.156 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.252 8.652 2.919 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.301 7.359 2.374 1.00 24.16 H new ATOM 1035 N SER A 65 -9.121 4.401 4.610 1.00 6.85 N ATOM 1036 CA SER A 65 -8.456 3.506 5.506 1.00 6.90 C ATOM 1037 C SER A 65 -6.982 3.720 5.538 1.00 4.72 C ATOM 1038 O SER A 65 -6.374 4.078 4.530 1.00 3.91 O ATOM 1039 CB SER A 65 -8.839 2.061 5.147 1.00 7.28 C ATOM 1040 OG SER A 65 -9.084 1.270 6.301 1.00 10.56 O ATOM 0 H SER A 65 -8.926 4.186 3.632 1.00 6.85 H new ATOM 0 HA SER A 65 -8.790 3.713 6.523 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.729 2.068 4.518 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.038 1.609 4.562 1.00 7.28 H new ATOM 0 HG SER A 65 -9.326 0.360 6.029 1.00 10.56 H new ATOM 1046 N THR A 66 -6.351 3.383 6.677 1.00 4.48 N ATOM 1047 CA THR A 66 -5.043 3.720 7.149 1.00 3.80 C ATOM 1048 C THR A 66 -4.026 2.682 6.819 1.00 4.60 C ATOM 1049 O THR A 66 -4.041 1.564 7.331 1.00 5.33 O ATOM 1050 CB THR A 66 -5.019 3.919 8.635 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.121 4.712 9.053 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.766 4.720 9.026 1.00 3.40 C ATOM 0 H THR A 66 -6.829 2.792 7.357 1.00 4.48 H new ATOM 0 HA THR A 66 -4.792 4.649 6.638 1.00 3.80 H new ATOM 0 HB THR A 66 -5.043 2.932 9.097 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.089 4.829 10.025 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.749 4.864 10.106 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.874 4.174 8.719 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.785 5.691 8.530 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.001 2.963 5.995 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.925 2.059 5.733 1.00 3.85 C ATOM 1062 C LEU A 67 -0.627 2.609 6.217 1.00 3.80 C ATOM 1063 O LEU A 67 -0.486 3.827 6.115 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.882 1.714 4.235 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.765 0.554 3.745 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.253 0.937 3.700 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.289 -0.055 2.415 1.00 8.12 C ATOM 0 H LEU A 67 -2.919 3.848 5.495 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.099 1.136 6.287 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.161 2.607 3.677 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.849 1.484 3.973 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.656 -0.233 4.491 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.837 0.087 3.348 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.587 1.218 4.699 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.392 1.778 3.021 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.956 -0.868 2.127 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.296 0.712 1.640 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.277 -0.441 2.533 1.00 8.12 H new ATOM 1079 N HIS A 68 0.346 1.804 6.680 1.00 2.94 N ATOM 1080 CA HIS A 68 1.572 2.282 7.239 1.00 4.17 C ATOM 1081 C HIS A 68 2.640 1.689 6.385 1.00 5.32 C ATOM 1082 O HIS A 68 2.593 0.517 6.015 1.00 7.70 O ATOM 1083 CB HIS A 68 1.764 1.829 8.696 1.00 5.57 C ATOM 1084 CG HIS A 68 0.647 2.306 9.575 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.335 3.628 9.819 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.260 1.609 10.310 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.699 3.688 10.701 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.094 2.465 11.002 1.00 16.30 N ATOM 0 H HIS A 68 0.277 0.786 6.665 1.00 2.94 H new ATOM 0 HA HIS A 68 1.589 3.372 7.257 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.819 0.741 8.735 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.713 2.210 9.074 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.320 0.531 10.348 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.130 4.597 11.094 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.861 2.204 11.621 1.00 16.30 H new ATOM 1096 N LEU A 69 3.545 2.547 5.881 1.00 5.29 N ATOM 1097 CA LEU A 69 4.629 2.077 5.076 1.00 3.97 C ATOM 1098 C LEU A 69 5.901 1.729 5.769 1.00 5.07 C ATOM 1099 O LEU A 69 6.642 2.594 6.233 1.00 4.34 O ATOM 1100 CB LEU A 69 4.977 3.176 4.058 1.00 6.08 C ATOM 1101 CG LEU A 69 5.982 2.964 2.913 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.791 1.689 2.075 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.867 4.171 1.968 1.00 6.87 C ATOM 0 H LEU A 69 3.527 3.556 6.029 1.00 5.29 H new ATOM 0 HA LEU A 69 4.258 1.143 4.654 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.038 3.478 3.594 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.337 4.029 4.633 1.00 6.08 H new ATOM 0 HG LEU A 69 6.957 2.857 3.388 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.555 1.646 1.299 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.878 0.814 2.719 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.804 1.702 1.612 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.568 4.054 1.141 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.851 4.231 1.577 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.100 5.085 2.515 1.00 6.87 H new ATOM 1115 N VAL A 70 6.275 0.440 5.854 1.00 4.29 N ATOM 1116 CA VAL A 70 7.369 -0.117 6.588 1.00 6.26 C ATOM 1117 C VAL A 70 8.485 -0.290 5.616 1.00 9.22 C ATOM 1118 O VAL A 70 8.315 -0.400 4.402 1.00 9.36 O ATOM 1119 CB VAL A 70 7.042 -1.376 7.334 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.235 -2.098 7.984 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.061 -0.862 8.402 1.00 8.54 C ATOM 0 H VAL A 70 5.756 -0.284 5.357 1.00 4.29 H new ATOM 0 HA VAL A 70 7.650 0.564 7.391 1.00 6.26 H new ATOM 0 HB VAL A 70 6.655 -2.141 6.661 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.883 -2.994 8.496 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.954 -2.378 7.214 1.00 9.76 H new ATOM 0 HG13 VAL A 70 8.714 -1.434 8.703 1.00 9.76 H new ATOM 0 HG21 VAL A 70 5.737 -1.693 9.028 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.556 -0.113 9.021 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.194 -0.415 7.915 1.00 8.54 H new ATOM 1131 N LEU A 71 9.736 -0.322 6.108 1.00 12.71 N ATOM 1132 CA LEU A 71 10.901 -0.617 5.333 1.00 16.06 C ATOM 1133 C LEU A 71 11.208 -2.075 5.296 1.00 18.09 C ATOM 1134 O LEU A 71 11.579 -2.714 6.279 1.00 19.26 O ATOM 1135 CB LEU A 71 12.088 0.098 6.000 1.00 17.10 C ATOM 1136 CG LEU A 71 13.433 -0.064 5.270 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.489 0.259 3.768 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.503 0.740 6.027 1.00 17.51 C ATOM 0 H LEU A 71 9.945 -0.134 7.089 1.00 12.71 H new ATOM 0 HA LEU A 71 10.725 -0.286 4.309 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.858 1.161 6.076 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.195 -0.278 7.017 1.00 17.10 H new ATOM 0 HG LEU A 71 13.615 -1.139 5.283 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.502 0.097 3.398 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.798 -0.390 3.230 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.207 1.300 3.609 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.463 0.635 5.521 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.219 1.792 6.051 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.587 0.364 7.047 1.00 17.51 H new ATOM 1150 N ARG A 72 11.037 -2.670 4.102 1.00 21.47 N ATOM 1151 CA ARG A 72 11.182 -4.078 3.895 1.00 25.83 C ATOM 1152 C ARG A 72 12.591 -4.401 3.533 1.00 27.74 C ATOM 1153 O ARG A 72 13.123 -3.828 2.583 1.00 30.65 O ATOM 1154 CB ARG A 72 10.280 -4.612 2.770 1.00 28.49 C ATOM 1155 CG ARG A 72 10.027 -6.116 2.644 1.00 31.79 C ATOM 1156 CD ARG A 72 9.167 -6.480 1.432 1.00 34.05 C ATOM 1157 NE ARG A 72 8.943 -7.951 1.513 1.00 35.08 N ATOM 1158 CZ ARG A 72 8.652 -8.684 0.399 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.165 -8.039 -0.701 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.635 -10.049 0.402 1.00 34.97 N ATOM 0 H ARG A 72 10.791 -2.157 3.256 1.00 21.47 H new ATOM 0 HA ARG A 72 10.891 -4.553 4.832 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.309 -4.127 2.874 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.705 -4.274 1.825 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.983 -6.635 2.573 1.00 31.79 H new ATOM 0 HG3 ARG A 72 9.537 -6.473 3.550 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.220 -5.940 1.449 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.670 -6.213 0.503 1.00 34.05 H new ATOM 0 HE ARG A 72 9.008 -8.419 2.417 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.025 -7.029 -0.680 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.941 -8.567 -1.544 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.845 -10.560 1.260 1.00 34.97 H new ATOM 0 HH22 ARG A 72 8.412 -10.558 -0.453 1.00 34.97 H new ATOM 1174 N LEU A 73 13.297 -5.185 4.367 1.00 28.93 N ATOM 1175 CA LEU A 73 14.567 -5.826 4.218 1.00 30.76 C ATOM 1176 C LEU A 73 14.519 -6.944 3.234 1.00 32.18 C ATOM 1177 O LEU A 73 13.516 -7.650 3.144 1.00 32.31 O ATOM 1178 CB LEU A 73 15.054 -6.527 5.497 1.00 30.53 C ATOM 1179 CG LEU A 73 15.428 -5.512 6.591 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.727 -6.296 7.880 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.566 -4.557 6.192 1.00 29.57 C ATOM 0 H LEU A 73 12.911 -5.398 5.287 1.00 28.93 H new ATOM 0 HA LEU A 73 15.220 -5.006 3.920 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.274 -7.192 5.868 1.00 30.53 H new ATOM 0 HB3 LEU A 73 15.919 -7.149 5.265 1.00 30.53 H new ATOM 0 HG LEU A 73 14.584 -4.842 6.753 1.00 30.16 H new ATOM 0 HD11 LEU A 73 15.996 -5.600 8.675 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.843 -6.861 8.176 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.555 -6.983 7.704 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.772 -3.872 7.015 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.463 -5.134 5.967 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.271 -3.987 5.311 1.00 29.57 H new ATOM 1193 N ARG A 74 15.583 -7.269 2.478 1.00 33.82 N ATOM 1194 CA ARG A 74 15.479 -8.395 1.602 1.00 35.33 C ATOM 1195 C ARG A 74 15.731 -9.753 2.160 1.00 36.22 C ATOM 1196 O ARG A 74 16.792 -9.942 2.753 1.00 36.70 O ATOM 1197 CB ARG A 74 16.477 -8.253 0.440 1.00 36.91 C ATOM 1198 CG ARG A 74 16.160 -7.036 -0.432 1.00 38.62 C ATOM 1199 CD ARG A 74 17.154 -6.947 -1.592 1.00 39.75 C ATOM 1200 NE ARG A 74 16.726 -5.751 -2.371 1.00 41.13 N ATOM 1201 CZ ARG A 74 17.149 -5.545 -3.653 1.00 41.91 C ATOM 1202 NH1 ARG A 74 18.307 -6.080 -4.139 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.454 -4.719 -4.489 1.00 41.93 N ATOM 0 H ARG A 74 16.477 -6.778 2.469 1.00 33.82 H new ATOM 0 HA ARG A 74 14.425 -8.357 1.328 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.488 -8.163 0.837 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.454 -9.155 -0.172 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.144 -7.111 -0.819 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.207 -6.127 0.168 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.176 -6.838 -1.229 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.128 -7.848 -2.205 1.00 39.75 H new ATOM 0 HE ARG A 74 16.103 -5.070 -1.937 1.00 41.13 H new ATOM 0 HH11 ARG A 74 18.893 -6.659 -3.538 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.586 -5.901 -5.104 1.00 42.75 H new ATOM 0 HH21 ARG A 74 15.611 -4.250 -4.158 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.778 -4.571 -5.445 1.00 41.93 H new ATOM 1217 N GLY A 75 14.715 -10.633 2.118 1.00 36.31 N ATOM 1218 CA GLY A 75 14.703 -11.966 2.636 1.00 36.07 C ATOM 1219 C GLY A 75 13.647 -12.219 3.656 1.00 36.16 C ATOM 1220 O GLY A 75 13.878 -12.117 4.860 1.00 36.26 O ATOM 0 H GLY A 75 13.825 -10.389 1.683 1.00 36.31 H new ATOM 0 HA2 GLY A 75 14.567 -12.663 1.809 1.00 36.07 H new ATOM 0 HA3 GLY A 75 15.676 -12.180 3.077 1.00 36.07 H new ATOM 1224 N GLY A 76 12.401 -12.443 3.201 1.00 36.05 N ATOM 1225 CA GLY A 76 11.279 -12.736 4.038 1.00 36.19 C ATOM 1226 C GLY A 76 10.026 -12.491 3.209 1.00 36.20 C ATOM 1227 O GLY A 76 9.988 -11.412 2.559 1.00 36.13 O ATOM 1228 OXT GLY A 76 9.122 -13.368 3.180 1.00 36.27 O ATOM 0 H GLY A 76 12.166 -12.419 2.209 1.00 36.05 H new ATOM 0 HA2 GLY A 76 11.316 -13.769 4.384 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.284 -12.102 4.925 1.00 36.19 H new TER 1232 GLY A 76