USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.01 (180deg=0.921) USER MOD Single : A 2 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.263 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00636 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.173 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.63 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 1.23 (180deg=-0.473) USER MOD Single : A 31 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0.197 K(o=0.2,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 X(o=0,f=-0.025) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.016) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 0.191 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.329 K(o=0.33,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.139 -4.483 -4.083 1.00 0.78 N ATOM 2 CA MET A 1 12.753 -4.541 -2.655 1.00 0.70 C ATOM 3 C MET A 1 11.514 -5.364 -2.568 1.00 0.62 C ATOM 4 O MET A 1 10.734 -5.282 -3.516 1.00 0.68 O ATOM 5 CB MET A 1 12.498 -3.109 -2.156 1.00 0.75 C ATOM 6 CG MET A 1 12.052 -2.926 -0.704 1.00 0.79 C ATOM 7 SD MET A 1 12.407 -1.361 0.152 1.00 1.10 S ATOM 8 CE MET A 1 10.922 -0.487 -0.416 1.00 0.84 C ATOM 0 H1 MET A 1 14.093 -4.079 -4.168 1.00 0.78 H new ATOM 0 H2 MET A 1 13.132 -5.443 -4.484 1.00 0.78 H new ATOM 0 H3 MET A 1 12.463 -3.887 -4.601 1.00 0.78 H new ATOM 0 HA MET A 1 13.534 -4.984 -2.038 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.415 -2.537 -2.299 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.739 -2.661 -2.798 1.00 0.75 H new ATOM 0 HG2 MET A 1 10.973 -3.078 -0.672 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.504 -3.728 -0.120 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.917 0.524 -0.009 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.922 -0.440 -1.505 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.034 -1.020 -0.076 1.00 0.84 H new ATOM 20 N GLN A 2 11.282 -6.067 -1.445 1.00 0.59 N ATOM 21 CA GLN A 2 10.021 -6.718 -1.277 1.00 0.56 C ATOM 22 C GLN A 2 9.253 -6.175 -0.120 1.00 0.50 C ATOM 23 O GLN A 2 9.765 -6.047 0.991 1.00 0.60 O ATOM 24 CB GLN A 2 10.267 -8.226 -1.104 1.00 0.71 C ATOM 25 CG GLN A 2 9.024 -9.117 -1.172 1.00 1.15 C ATOM 26 CD GLN A 2 9.410 -10.588 -1.212 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.890 -11.150 -2.195 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.168 -11.186 -0.015 1.00 1.72 N ATOM 0 H GLN A 2 11.943 -6.183 -0.677 1.00 0.59 H new ATOM 0 HA GLN A 2 9.415 -6.533 -2.164 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.966 -8.551 -1.874 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.754 -8.387 -0.142 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.388 -8.927 -0.307 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.440 -8.866 -2.058 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.767 -10.647 0.752 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.388 -12.173 0.116 1.00 1.72 H new ATOM 37 N ILE A 3 7.977 -5.793 -0.300 1.00 0.44 N ATOM 38 CA ILE A 3 7.072 -5.461 0.756 1.00 0.42 C ATOM 39 C ILE A 3 5.906 -6.381 0.657 1.00 0.40 C ATOM 40 O ILE A 3 5.818 -7.195 -0.263 1.00 0.50 O ATOM 41 CB ILE A 3 6.668 -4.017 0.728 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.228 -3.600 -0.686 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.956 -3.208 0.958 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.384 -2.327 -0.678 1.00 0.72 C ATOM 0 H ILE A 3 7.556 -5.712 -1.226 1.00 0.44 H new ATOM 0 HA ILE A 3 7.563 -5.593 1.720 1.00 0.42 H new ATOM 0 HB ILE A 3 5.873 -3.856 1.456 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.110 -3.445 -1.308 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.656 -4.410 -1.140 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.723 -2.143 0.948 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.387 -3.476 1.923 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.672 -3.431 0.167 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.098 -2.074 -1.699 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.487 -2.489 -0.079 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.963 -1.509 -0.250 1.00 0.72 H new ATOM 56 N PHE A 4 4.992 -6.327 1.642 1.00 0.37 N ATOM 57 CA PHE A 4 3.815 -7.133 1.737 1.00 0.38 C ATOM 58 C PHE A 4 2.701 -6.165 1.946 1.00 0.39 C ATOM 59 O PHE A 4 2.901 -5.141 2.596 1.00 0.60 O ATOM 60 CB PHE A 4 3.925 -7.958 3.031 1.00 0.45 C ATOM 61 CG PHE A 4 5.018 -8.969 3.006 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.066 -9.891 1.987 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.053 -8.862 3.905 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.062 -10.836 1.930 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.121 -9.725 3.830 1.00 1.40 C ATOM 66 CZ PHE A 4 7.017 -10.747 2.916 1.00 0.85 C ATOM 0 H PHE A 4 5.082 -5.677 2.423 1.00 0.37 H new ATOM 0 HA PHE A 4 3.675 -7.776 0.868 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.087 -7.281 3.870 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.977 -8.465 3.209 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.308 -9.872 1.218 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.027 -8.100 4.670 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.093 -11.596 1.164 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.994 -9.607 4.455 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.743 -11.544 2.977 1.00 0.85 H new ATOM 76 N VAL A 5 1.445 -6.413 1.531 1.00 0.35 N ATOM 77 CA VAL A 5 0.316 -5.577 1.801 1.00 0.35 C ATOM 78 C VAL A 5 -0.905 -6.357 2.147 1.00 0.35 C ATOM 79 O VAL A 5 -1.512 -7.133 1.409 1.00 0.46 O ATOM 80 CB VAL A 5 0.007 -4.569 0.735 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.168 -3.651 1.110 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.248 -3.757 0.327 1.00 0.56 C ATOM 0 H VAL A 5 1.206 -7.237 0.980 1.00 0.35 H new ATOM 0 HA VAL A 5 0.626 -5.006 2.676 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.308 -5.142 -0.137 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.347 -2.941 0.302 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.063 -4.252 1.270 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.928 -3.107 2.024 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.975 -3.040 -0.447 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.635 -3.224 1.195 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.014 -4.431 -0.056 1.00 0.56 H new ATOM 92 N LYS A 6 -1.255 -6.163 3.431 1.00 0.36 N ATOM 93 CA LYS A 6 -2.349 -6.835 4.059 1.00 0.39 C ATOM 94 C LYS A 6 -3.668 -6.149 3.956 1.00 0.46 C ATOM 95 O LYS A 6 -3.727 -4.931 3.786 1.00 0.53 O ATOM 96 CB LYS A 6 -2.014 -7.143 5.528 1.00 0.54 C ATOM 97 CG LYS A 6 -1.018 -8.299 5.636 1.00 1.22 C ATOM 98 CD LYS A 6 -0.697 -8.919 6.998 1.00 1.37 C ATOM 99 CE LYS A 6 -1.692 -9.945 7.545 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.215 -10.357 8.884 1.00 2.09 N ATOM 0 H LYS A 6 -0.762 -5.520 4.050 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.473 -7.759 3.494 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.598 -6.255 6.003 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.927 -7.394 6.067 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.384 -9.101 4.995 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.076 -7.954 5.209 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.280 -9.397 6.931 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.608 -8.112 7.725 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.691 -9.514 7.610 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.759 -10.806 6.880 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.871 -11.057 9.286 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.268 -10.778 8.801 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.171 -9.526 9.508 1.00 2.09 H new ATOM 114 N THR A 7 -4.769 -6.918 4.010 1.00 0.58 N ATOM 115 CA THR A 7 -6.088 -6.374 4.114 1.00 0.78 C ATOM 116 C THR A 7 -6.764 -7.032 5.268 1.00 0.94 C ATOM 117 O THR A 7 -6.178 -7.509 6.239 1.00 0.99 O ATOM 118 CB THR A 7 -6.851 -6.477 2.826 1.00 0.90 C ATOM 119 OG1 THR A 7 -8.068 -5.744 2.835 1.00 0.90 O ATOM 120 CG2 THR A 7 -7.049 -7.940 2.397 1.00 0.92 C ATOM 0 H THR A 7 -4.744 -7.937 3.981 1.00 0.58 H new ATOM 0 HA THR A 7 -6.040 -5.302 4.303 1.00 0.78 H new ATOM 0 HB THR A 7 -6.232 -6.001 2.066 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.519 -5.848 1.971 1.00 0.90 H new ATOM 0 HG21 THR A 7 -7.606 -7.972 1.460 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.077 -8.413 2.258 1.00 0.92 H new ATOM 0 HG23 THR A 7 -7.605 -8.473 3.168 1.00 0.92 H new ATOM 128 N LEU A 8 -8.104 -7.019 5.375 1.00 1.17 N ATOM 129 CA LEU A 8 -8.906 -7.675 6.361 1.00 1.39 C ATOM 130 C LEU A 8 -9.143 -9.118 6.078 1.00 1.44 C ATOM 131 O LEU A 8 -8.435 -10.012 6.541 1.00 1.60 O ATOM 132 CB LEU A 8 -10.180 -6.853 6.622 1.00 1.66 C ATOM 133 CG LEU A 8 -9.859 -5.537 7.348 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.115 -4.673 7.145 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.739 -5.725 8.870 1.00 2.43 C ATOM 0 H LEU A 8 -8.677 -6.501 4.709 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.345 -7.707 7.295 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.676 -6.637 5.676 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.877 -7.440 7.220 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.924 -5.126 6.968 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.976 -3.708 7.633 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.283 -4.520 6.079 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.978 -5.178 7.579 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.512 -4.767 9.338 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.680 -6.107 9.265 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.940 -6.434 9.087 1.00 2.43 H new ATOM 147 N THR A 9 -10.175 -9.421 5.270 1.00 1.41 N ATOM 148 CA THR A 9 -10.616 -10.707 4.824 1.00 1.51 C ATOM 149 C THR A 9 -9.882 -11.323 3.683 1.00 1.37 C ATOM 150 O THR A 9 -9.699 -12.539 3.649 1.00 1.62 O ATOM 151 CB THR A 9 -12.071 -10.668 4.467 1.00 1.65 C ATOM 152 OG1 THR A 9 -12.505 -9.782 3.445 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.887 -10.278 5.711 1.00 2.08 C ATOM 0 H THR A 9 -10.764 -8.680 4.889 1.00 1.41 H new ATOM 0 HA THR A 9 -10.405 -11.342 5.684 1.00 1.51 H new ATOM 0 HB THR A 9 -12.230 -11.674 4.080 1.00 1.65 H new ATOM 0 HG1 THR A 9 -13.474 -9.871 3.325 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.946 -10.248 5.457 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.724 -11.014 6.499 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.570 -9.295 6.061 1.00 2.08 H new ATOM 161 N GLY A 10 -9.501 -10.583 2.627 1.00 1.18 N ATOM 162 CA GLY A 10 -8.727 -11.099 1.541 1.00 1.22 C ATOM 163 C GLY A 10 -7.285 -11.399 1.771 1.00 0.99 C ATOM 164 O GLY A 10 -6.835 -11.401 2.916 1.00 1.31 O ATOM 0 H GLY A 10 -9.738 -9.596 2.525 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -9.206 -12.017 1.200 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.789 -10.384 0.721 1.00 1.22 H new ATOM 168 N LYS A 11 -6.534 -11.649 0.683 1.00 0.73 N ATOM 169 CA LYS A 11 -5.183 -12.095 0.541 1.00 0.60 C ATOM 170 C LYS A 11 -4.175 -11.182 1.148 1.00 0.51 C ATOM 171 O LYS A 11 -4.286 -9.957 1.129 1.00 0.63 O ATOM 172 CB LYS A 11 -4.851 -12.197 -0.957 1.00 0.75 C ATOM 173 CG LYS A 11 -5.421 -13.367 -1.761 1.00 0.87 C ATOM 174 CD LYS A 11 -4.346 -14.258 -2.386 1.00 1.04 C ATOM 175 CE LYS A 11 -3.768 -13.712 -3.693 1.00 1.30 C ATOM 176 NZ LYS A 11 -2.629 -14.540 -4.149 1.00 1.40 N ATOM 0 H LYS A 11 -6.948 -11.514 -0.239 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.125 -13.051 1.061 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.186 -11.275 -1.433 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -3.766 -12.229 -1.053 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.050 -13.973 -1.109 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -6.063 -12.977 -2.551 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.536 -14.389 -1.669 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.770 -15.245 -2.572 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.542 -13.696 -4.460 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.441 -12.682 -3.549 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -2.252 -14.152 -5.037 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -1.883 -14.534 -3.424 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -2.951 -15.516 -4.307 1.00 1.40 H new ATOM 190 N THR A 12 -3.025 -11.714 1.597 1.00 0.49 N ATOM 191 CA THR A 12 -1.894 -10.880 1.863 1.00 0.48 C ATOM 192 C THR A 12 -1.051 -11.006 0.641 1.00 0.52 C ATOM 193 O THR A 12 -0.611 -12.092 0.268 1.00 0.72 O ATOM 194 CB THR A 12 -1.055 -11.360 3.009 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.784 -11.493 4.220 1.00 0.77 O ATOM 196 CG2 THR A 12 0.175 -10.465 3.241 1.00 0.78 C ATOM 0 H THR A 12 -2.878 -12.708 1.774 1.00 0.49 H new ATOM 0 HA THR A 12 -2.235 -9.874 2.109 1.00 0.48 H new ATOM 0 HB THR A 12 -0.718 -12.354 2.715 1.00 0.64 H new ATOM 0 HG1 THR A 12 -1.186 -11.810 4.929 1.00 0.77 H new ATOM 0 HG21 THR A 12 0.753 -10.851 4.081 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.796 -10.460 2.345 1.00 0.78 H new ATOM 0 HG23 THR A 12 -0.151 -9.449 3.462 1.00 0.78 H new ATOM 204 N ILE A 13 -0.788 -9.945 -0.142 1.00 0.48 N ATOM 205 CA ILE A 13 0.014 -10.008 -1.325 1.00 0.55 C ATOM 206 C ILE A 13 1.378 -9.515 -0.988 1.00 0.51 C ATOM 207 O ILE A 13 1.660 -8.711 -0.101 1.00 0.56 O ATOM 208 CB ILE A 13 -0.562 -9.190 -2.443 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.022 -7.759 -2.116 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.778 -9.938 -3.018 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.557 -6.873 -3.240 1.00 1.55 C ATOM 0 H ILE A 13 -1.146 -9.010 0.055 1.00 0.48 H new ATOM 0 HA ILE A 13 0.046 -11.041 -1.671 1.00 0.55 H new ATOM 0 HB ILE A 13 0.272 -9.071 -3.134 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.800 -7.830 -1.356 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.179 -7.239 -1.662 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.210 -9.357 -3.833 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.462 -10.911 -3.394 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.524 -10.076 -2.235 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -1.835 -5.900 -2.835 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -0.786 -6.743 -3.999 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.432 -7.343 -3.689 1.00 1.55 H new ATOM 223 N THR A 14 2.336 -10.018 -1.788 1.00 0.55 N ATOM 224 CA THR A 14 3.716 -9.645 -1.736 1.00 0.54 C ATOM 225 C THR A 14 3.924 -8.822 -2.961 1.00 0.55 C ATOM 226 O THR A 14 3.633 -9.234 -4.083 1.00 0.72 O ATOM 227 CB THR A 14 4.637 -10.824 -1.845 1.00 0.67 C ATOM 228 OG1 THR A 14 4.374 -11.858 -0.908 1.00 1.08 O ATOM 229 CG2 THR A 14 6.146 -10.560 -1.715 1.00 1.03 C ATOM 0 H THR A 14 2.139 -10.717 -2.504 1.00 0.55 H new ATOM 0 HA THR A 14 3.930 -9.144 -0.792 1.00 0.54 H new ATOM 0 HB THR A 14 4.408 -11.112 -2.871 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.588 -11.543 -0.005 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.690 -11.500 -1.814 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.464 -9.873 -2.499 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.356 -10.120 -0.740 1.00 1.03 H new ATOM 237 N LEU A 15 4.457 -7.598 -2.796 1.00 0.50 N ATOM 238 CA LEU A 15 4.700 -6.691 -3.875 1.00 0.55 C ATOM 239 C LEU A 15 6.157 -6.404 -3.998 1.00 0.52 C ATOM 240 O LEU A 15 6.839 -5.958 -3.077 1.00 0.58 O ATOM 241 CB LEU A 15 3.946 -5.363 -3.691 1.00 0.69 C ATOM 242 CG LEU A 15 2.417 -5.524 -3.636 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.553 -4.276 -3.392 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.933 -5.987 -5.021 1.00 1.55 C ATOM 0 H LEU A 15 4.727 -7.228 -1.885 1.00 0.50 H new ATOM 0 HA LEU A 15 4.336 -7.174 -4.782 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.286 -4.887 -2.771 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.203 -4.693 -4.511 1.00 0.69 H new ATOM 0 HG LEU A 15 2.289 -6.196 -2.787 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.500 -4.559 -3.381 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.819 -3.831 -2.433 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.726 -3.552 -4.188 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.850 -6.108 -5.006 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.205 -5.242 -5.769 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.401 -6.939 -5.270 1.00 1.55 H new ATOM 256 N GLU A 16 6.764 -6.531 -5.191 1.00 0.59 N ATOM 257 CA GLU A 16 8.120 -6.182 -5.483 1.00 0.63 C ATOM 258 C GLU A 16 8.031 -4.816 -6.072 1.00 0.65 C ATOM 259 O GLU A 16 7.316 -4.452 -7.005 1.00 0.81 O ATOM 260 CB GLU A 16 8.738 -7.133 -6.523 1.00 0.76 C ATOM 261 CG GLU A 16 8.794 -8.528 -5.899 1.00 1.41 C ATOM 262 CD GLU A 16 9.673 -9.475 -6.704 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.908 -9.437 -6.454 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.198 -10.214 -7.608 1.00 1.95 O ATOM 0 H GLU A 16 6.275 -6.902 -6.005 1.00 0.59 H new ATOM 0 HA GLU A 16 8.744 -6.238 -4.591 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.140 -7.145 -7.434 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.737 -6.798 -6.802 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.176 -8.455 -4.881 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.786 -8.937 -5.833 1.00 1.41 H new ATOM 271 N VAL A 17 8.814 -3.918 -5.450 1.00 0.61 N ATOM 272 CA VAL A 17 8.865 -2.498 -5.609 1.00 0.63 C ATOM 273 C VAL A 17 10.273 -2.011 -5.653 1.00 0.65 C ATOM 274 O VAL A 17 11.129 -2.821 -5.301 1.00 0.76 O ATOM 275 CB VAL A 17 7.980 -1.725 -4.676 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.481 -1.994 -4.882 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.526 -1.991 -3.262 1.00 0.92 C ATOM 0 H VAL A 17 9.491 -4.228 -4.753 1.00 0.61 H new ATOM 0 HA VAL A 17 8.423 -2.289 -6.583 1.00 0.63 H new ATOM 0 HB VAL A 17 8.018 -0.655 -4.878 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.904 -1.401 -4.173 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.199 -1.720 -5.898 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.276 -3.052 -4.721 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.922 -1.453 -2.531 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.485 -3.060 -3.051 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.559 -1.649 -3.201 1.00 0.92 H new ATOM 287 N GLU A 18 10.633 -0.756 -5.977 1.00 0.68 N ATOM 288 CA GLU A 18 11.932 -0.195 -5.769 1.00 0.74 C ATOM 289 C GLU A 18 11.810 0.815 -4.680 1.00 0.71 C ATOM 290 O GLU A 18 10.704 1.324 -4.503 1.00 0.74 O ATOM 291 CB GLU A 18 12.429 0.468 -7.065 1.00 0.88 C ATOM 292 CG GLU A 18 12.520 -0.567 -8.188 1.00 1.16 C ATOM 293 CD GLU A 18 13.469 -1.704 -7.840 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.529 -1.365 -7.252 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.117 -2.887 -8.099 1.00 2.33 O ATOM 0 H GLU A 18 9.983 -0.098 -6.407 1.00 0.68 H new ATOM 0 HA GLU A 18 12.650 -0.967 -5.492 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.751 1.271 -7.355 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.406 0.921 -6.898 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.528 -0.972 -8.389 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.858 -0.080 -9.103 1.00 1.16 H new ATOM 302 N PRO A 19 12.816 1.176 -3.940 1.00 0.74 N ATOM 303 CA PRO A 19 12.716 1.951 -2.737 1.00 0.74 C ATOM 304 C PRO A 19 12.371 3.386 -2.945 1.00 0.70 C ATOM 305 O PRO A 19 11.930 3.989 -1.967 1.00 0.74 O ATOM 306 CB PRO A 19 14.028 1.763 -1.977 1.00 0.86 C ATOM 307 CG PRO A 19 15.021 1.523 -3.125 1.00 0.95 C ATOM 308 CD PRO A 19 14.195 0.792 -4.196 1.00 0.82 C ATOM 0 HA PRO A 19 11.870 1.588 -2.154 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.289 2.642 -1.387 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.985 0.918 -1.289 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.424 2.462 -3.505 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.869 0.922 -2.798 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.505 1.083 -5.200 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.323 -0.288 -4.123 1.00 0.82 H new ATOM 316 N SER A 20 12.502 3.944 -4.161 1.00 0.70 N ATOM 317 CA SER A 20 12.151 5.295 -4.472 1.00 0.74 C ATOM 318 C SER A 20 10.907 5.328 -5.293 1.00 0.71 C ATOM 319 O SER A 20 10.611 6.352 -5.908 1.00 0.80 O ATOM 320 CB SER A 20 13.337 6.068 -5.069 1.00 0.89 C ATOM 321 OG SER A 20 14.230 6.470 -4.040 1.00 1.45 O ATOM 0 H SER A 20 12.869 3.431 -4.963 1.00 0.70 H new ATOM 0 HA SER A 20 11.918 5.830 -3.551 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.861 5.442 -5.791 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.975 6.943 -5.609 1.00 0.89 H new ATOM 0 HG SER A 20 14.982 6.960 -4.433 1.00 1.45 H new ATOM 327 N ASP A 21 10.060 4.288 -5.383 1.00 0.70 N ATOM 328 CA ASP A 21 8.770 4.314 -6.001 1.00 0.73 C ATOM 329 C ASP A 21 7.747 5.038 -5.193 1.00 0.64 C ATOM 330 O ASP A 21 7.930 5.073 -3.977 1.00 0.66 O ATOM 331 CB ASP A 21 8.264 2.888 -6.273 1.00 0.87 C ATOM 332 CG ASP A 21 9.063 2.195 -7.368 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.679 2.843 -8.256 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.999 0.937 -7.334 1.00 1.50 O ATOM 0 H ASP A 21 10.291 3.371 -5.000 1.00 0.70 H new ATOM 0 HA ASP A 21 8.903 4.855 -6.938 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.323 2.302 -5.356 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.213 2.925 -6.560 1.00 0.87 H new ATOM 339 N THR A 22 6.731 5.644 -5.831 1.00 0.63 N ATOM 340 CA THR A 22 5.692 6.400 -5.203 1.00 0.58 C ATOM 341 C THR A 22 4.496 5.583 -4.856 1.00 0.53 C ATOM 342 O THR A 22 4.179 4.548 -5.440 1.00 0.58 O ATOM 343 CB THR A 22 5.193 7.614 -5.930 1.00 0.63 C ATOM 344 OG1 THR A 22 4.582 7.263 -7.163 1.00 0.70 O ATOM 345 CG2 THR A 22 6.393 8.550 -6.148 1.00 0.75 C ATOM 0 H THR A 22 6.629 5.604 -6.845 1.00 0.63 H new ATOM 0 HA THR A 22 6.219 6.745 -4.313 1.00 0.58 H new ATOM 0 HB THR A 22 4.426 8.116 -5.340 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.265 8.074 -7.613 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.065 9.446 -6.676 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.815 8.831 -5.183 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.151 8.038 -6.740 1.00 0.75 H new ATOM 353 N ILE A 23 3.690 6.113 -3.919 1.00 0.51 N ATOM 354 CA ILE A 23 2.451 5.534 -3.499 1.00 0.48 C ATOM 355 C ILE A 23 1.440 5.287 -4.566 1.00 0.48 C ATOM 356 O ILE A 23 0.911 4.176 -4.559 1.00 0.51 O ATOM 357 CB ILE A 23 1.964 6.218 -2.257 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.058 6.365 -1.186 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.803 5.467 -1.585 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.776 5.118 -0.671 1.00 0.73 C ATOM 0 H ILE A 23 3.911 6.982 -3.433 1.00 0.51 H new ATOM 0 HA ILE A 23 2.655 4.498 -3.229 1.00 0.48 H new ATOM 0 HB ILE A 23 1.640 7.197 -2.609 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.817 7.039 -1.584 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.609 6.863 -0.326 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.490 6.006 -0.691 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.035 5.397 -2.279 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.130 4.465 -1.308 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.514 5.406 0.078 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.050 4.439 -0.223 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.277 4.618 -1.500 1.00 0.73 H new ATOM 372 N GLU A 24 1.284 6.162 -5.575 1.00 0.50 N ATOM 373 CA GLU A 24 0.503 5.959 -6.755 1.00 0.53 C ATOM 374 C GLU A 24 0.770 4.717 -7.533 1.00 0.50 C ATOM 375 O GLU A 24 -0.116 3.974 -7.953 1.00 0.55 O ATOM 376 CB GLU A 24 0.722 7.126 -7.733 1.00 0.64 C ATOM 377 CG GLU A 24 0.073 7.099 -9.118 1.00 0.95 C ATOM 378 CD GLU A 24 0.276 8.423 -9.839 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.438 8.905 -9.750 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.699 8.863 -10.504 1.00 1.56 O ATOM 0 H GLU A 24 1.736 7.076 -5.564 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.512 5.881 -6.366 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.383 8.034 -7.234 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.797 7.226 -7.881 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.501 6.289 -9.709 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.993 6.893 -9.020 1.00 0.95 H new ATOM 387 N ASN A 25 2.051 4.357 -7.734 1.00 0.51 N ATOM 388 CA ASN A 25 2.559 3.244 -8.473 1.00 0.52 C ATOM 389 C ASN A 25 2.388 2.015 -7.647 1.00 0.47 C ATOM 390 O ASN A 25 2.018 0.953 -8.144 1.00 0.53 O ATOM 391 CB ASN A 25 3.971 3.577 -8.985 1.00 0.64 C ATOM 392 CG ASN A 25 4.603 2.610 -9.976 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.058 1.500 -9.702 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.526 2.891 -11.304 1.00 1.57 N ATOM 0 H ASN A 25 2.810 4.908 -7.333 1.00 0.51 H new ATOM 0 HA ASN A 25 2.005 3.033 -9.387 1.00 0.52 H new ATOM 0 HB2 ASN A 25 3.937 4.562 -9.451 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.632 3.655 -8.122 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.834 2.202 -11.990 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.160 3.791 -11.614 1.00 1.57 H new ATOM 401 N VAL A 26 2.670 2.061 -6.333 1.00 0.45 N ATOM 402 CA VAL A 26 2.273 0.930 -5.553 1.00 0.44 C ATOM 403 C VAL A 26 0.836 0.539 -5.562 1.00 0.40 C ATOM 404 O VAL A 26 0.457 -0.624 -5.691 1.00 0.44 O ATOM 405 CB VAL A 26 2.863 1.021 -4.175 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.633 -0.327 -3.472 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.373 1.191 -4.405 1.00 0.62 C ATOM 0 H VAL A 26 3.138 2.820 -5.838 1.00 0.45 H new ATOM 0 HA VAL A 26 2.699 0.078 -6.083 1.00 0.44 H new ATOM 0 HB VAL A 26 2.434 1.827 -3.580 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.053 -0.289 -2.467 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.563 -0.528 -3.412 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.120 -1.121 -4.039 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.881 1.266 -3.444 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.757 0.330 -4.953 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.553 2.098 -4.982 1.00 0.62 H new ATOM 417 N LYS A 27 -0.048 1.541 -5.415 1.00 0.40 N ATOM 418 CA LYS A 27 -1.462 1.421 -5.594 1.00 0.41 C ATOM 419 C LYS A 27 -1.836 0.899 -6.938 1.00 0.38 C ATOM 420 O LYS A 27 -2.832 0.183 -7.035 1.00 0.42 O ATOM 421 CB LYS A 27 -2.248 2.717 -5.331 1.00 0.51 C ATOM 422 CG LYS A 27 -2.246 3.225 -3.888 1.00 0.76 C ATOM 423 CD LYS A 27 -3.280 4.332 -3.678 1.00 0.82 C ATOM 424 CE LYS A 27 -2.801 5.718 -4.113 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.934 6.671 -4.086 1.00 1.11 N ATOM 0 H LYS A 27 0.239 2.485 -5.158 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.747 0.696 -4.831 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.842 3.500 -5.971 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.282 2.559 -5.638 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.456 2.397 -3.210 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.254 3.600 -3.635 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.185 4.081 -4.232 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.551 4.367 -2.623 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.007 6.063 -3.450 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.379 5.669 -5.117 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.718 7.485 -4.696 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.794 6.198 -4.431 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.087 7.000 -3.112 1.00 1.11 H new ATOM 439 N ALA A 28 -1.198 1.301 -8.053 1.00 0.39 N ATOM 440 CA ALA A 28 -1.385 0.826 -9.389 1.00 0.39 C ATOM 441 C ALA A 28 -0.942 -0.584 -9.582 1.00 0.36 C ATOM 442 O ALA A 28 -1.623 -1.272 -10.340 1.00 0.42 O ATOM 443 CB ALA A 28 -0.693 1.762 -10.393 1.00 0.51 C ATOM 0 H ALA A 28 -0.484 2.028 -8.012 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.459 0.832 -9.574 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.845 1.386 -11.405 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.117 2.763 -10.310 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.375 1.802 -10.177 1.00 0.51 H new ATOM 449 N LYS A 29 0.105 -1.097 -8.911 1.00 0.39 N ATOM 450 CA LYS A 29 0.535 -2.458 -8.840 1.00 0.43 C ATOM 451 C LYS A 29 -0.509 -3.204 -8.081 1.00 0.44 C ATOM 452 O LYS A 29 -0.812 -4.329 -8.475 1.00 0.54 O ATOM 453 CB LYS A 29 1.883 -2.483 -8.100 1.00 0.54 C ATOM 454 CG LYS A 29 2.751 -3.673 -8.511 1.00 0.65 C ATOM 455 CD LYS A 29 4.189 -3.370 -8.085 1.00 1.08 C ATOM 456 CE LYS A 29 4.983 -2.507 -9.068 1.00 1.24 C ATOM 457 NZ LYS A 29 6.413 -2.519 -8.685 1.00 1.44 N ATOM 0 H LYS A 29 0.713 -0.490 -8.361 1.00 0.39 H new ATOM 0 HA LYS A 29 0.665 -2.913 -9.822 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.422 -1.557 -8.301 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.704 -2.521 -7.025 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.396 -4.587 -8.036 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.697 -3.832 -9.588 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.168 -2.868 -7.118 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.717 -4.313 -7.943 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.863 -2.887 -10.082 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.602 -1.486 -9.063 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.002 -2.506 -9.542 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.625 -1.681 -8.107 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.618 -3.378 -8.136 1.00 1.44 H new ATOM 471 N ILE A 30 -1.132 -2.710 -6.997 1.00 0.41 N ATOM 472 CA ILE A 30 -2.231 -3.346 -6.340 1.00 0.44 C ATOM 473 C ILE A 30 -3.431 -3.485 -7.210 1.00 0.45 C ATOM 474 O ILE A 30 -4.062 -4.538 -7.285 1.00 0.56 O ATOM 475 CB ILE A 30 -2.573 -2.635 -5.063 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.429 -2.767 -4.044 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.822 -3.273 -4.432 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.514 -1.768 -2.891 1.00 1.32 C ATOM 0 H ILE A 30 -0.858 -1.830 -6.560 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.905 -4.359 -6.103 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.745 -1.586 -5.302 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.432 -3.778 -3.637 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.478 -2.633 -4.560 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.067 -2.754 -3.505 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.660 -3.194 -5.124 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.625 -4.324 -4.218 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.674 -1.922 -2.214 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.480 -0.753 -3.286 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.448 -1.916 -2.350 1.00 1.32 H new ATOM 490 N GLN A 31 -3.772 -2.464 -8.017 1.00 0.41 N ATOM 491 CA GLN A 31 -4.758 -2.456 -9.053 1.00 0.48 C ATOM 492 C GLN A 31 -4.574 -3.510 -10.089 1.00 0.52 C ATOM 493 O GLN A 31 -5.461 -4.281 -10.452 1.00 0.66 O ATOM 494 CB GLN A 31 -4.714 -1.020 -9.602 1.00 0.52 C ATOM 495 CG GLN A 31 -5.832 -0.768 -10.616 1.00 0.70 C ATOM 496 CD GLN A 31 -5.510 0.406 -11.530 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.389 0.520 -12.025 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.435 1.382 -11.729 1.00 1.43 N ATOM 0 H GLN A 31 -3.311 -1.558 -7.934 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.745 -2.714 -8.668 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.804 -0.312 -8.778 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.748 -0.840 -10.073 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.987 -1.664 -11.216 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.765 -0.572 -10.088 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.366 1.293 -11.321 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.198 2.203 -12.286 1.00 1.43 H new ATOM 507 N ASP A 32 -3.341 -3.628 -10.613 1.00 0.50 N ATOM 508 CA ASP A 32 -2.918 -4.689 -11.474 1.00 0.60 C ATOM 509 C ASP A 32 -3.038 -6.073 -10.936 1.00 0.65 C ATOM 510 O ASP A 32 -3.408 -7.013 -11.639 1.00 0.81 O ATOM 511 CB ASP A 32 -1.432 -4.429 -11.774 1.00 0.67 C ATOM 512 CG ASP A 32 -1.042 -4.938 -13.154 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.602 -4.483 -14.188 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.027 -5.682 -13.216 1.00 1.55 O ATOM 0 H ASP A 32 -2.602 -2.950 -10.427 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.582 -4.668 -12.338 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.229 -3.360 -11.709 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.817 -4.917 -11.018 1.00 0.67 H new ATOM 519 N LYS A 33 -2.607 -6.349 -9.693 1.00 0.62 N ATOM 520 CA LYS A 33 -2.642 -7.667 -9.136 1.00 0.73 C ATOM 521 C LYS A 33 -3.991 -8.116 -8.688 1.00 0.69 C ATOM 522 O LYS A 33 -4.450 -9.219 -8.977 1.00 0.83 O ATOM 523 CB LYS A 33 -1.565 -7.824 -8.050 1.00 0.85 C ATOM 524 CG LYS A 33 -0.104 -7.865 -8.501 1.00 1.31 C ATOM 525 CD LYS A 33 0.391 -9.284 -8.786 1.00 1.71 C ATOM 526 CE LYS A 33 1.772 -9.230 -9.442 1.00 2.26 C ATOM 527 NZ LYS A 33 2.188 -10.570 -9.915 1.00 2.62 N ATOM 0 H LYS A 33 -2.227 -5.644 -9.062 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.404 -8.350 -9.951 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.676 -7.000 -7.345 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.773 -8.743 -7.501 1.00 0.85 H new ATOM 0 HG2 LYS A 33 0.011 -7.258 -9.399 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.522 -7.415 -7.730 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.441 -9.854 -7.859 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.312 -9.800 -9.440 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.753 -8.534 -10.281 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.503 -8.849 -8.728 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.128 -10.506 -10.356 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.228 -11.226 -9.109 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.501 -10.920 -10.613 1.00 2.62 H new ATOM 541 N GLU A 34 -4.589 -7.357 -7.752 1.00 0.63 N ATOM 542 CA GLU A 34 -5.782 -7.721 -7.054 1.00 0.67 C ATOM 543 C GLU A 34 -6.987 -7.269 -7.807 1.00 0.69 C ATOM 544 O GLU A 34 -7.815 -8.125 -8.113 1.00 0.95 O ATOM 545 CB GLU A 34 -5.796 -7.215 -5.601 1.00 0.73 C ATOM 546 CG GLU A 34 -4.831 -7.841 -4.593 1.00 0.83 C ATOM 547 CD GLU A 34 -5.498 -9.124 -4.122 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.303 -10.138 -4.844 1.00 1.37 O ATOM 549 OE2 GLU A 34 -6.216 -9.185 -3.088 1.00 1.48 O ATOM 0 H GLU A 34 -4.223 -6.448 -7.469 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.803 -8.809 -6.994 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.600 -6.143 -5.623 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.807 -7.347 -5.215 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.865 -8.049 -5.053 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.647 -7.166 -3.757 1.00 0.83 H new ATOM 556 N GLY A 35 -7.006 -6.008 -8.274 1.00 0.63 N ATOM 557 CA GLY A 35 -8.120 -5.557 -9.049 1.00 0.68 C ATOM 558 C GLY A 35 -8.951 -4.528 -8.362 1.00 0.76 C ATOM 559 O GLY A 35 -10.176 -4.469 -8.441 1.00 1.12 O ATOM 0 H GLY A 35 -6.272 -5.317 -8.121 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.754 -5.147 -9.990 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.749 -6.412 -9.297 1.00 0.68 H new ATOM 563 N ILE A 36 -8.275 -3.669 -7.578 1.00 0.70 N ATOM 564 CA ILE A 36 -8.858 -2.640 -6.773 1.00 0.76 C ATOM 565 C ILE A 36 -8.572 -1.292 -7.339 1.00 0.71 C ATOM 566 O ILE A 36 -7.398 -0.974 -7.522 1.00 0.73 O ATOM 567 CB ILE A 36 -8.253 -2.714 -5.404 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.986 -4.165 -4.970 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.300 -2.038 -4.502 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.908 -4.437 -3.469 1.00 1.16 C ATOM 0 H ILE A 36 -7.258 -3.695 -7.502 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.938 -2.787 -6.742 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.279 -2.228 -5.356 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.772 -4.794 -5.388 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.047 -4.486 -5.422 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.948 -2.042 -3.470 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.453 -1.010 -4.830 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.242 -2.583 -4.566 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.716 -5.497 -3.301 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.100 -3.848 -3.034 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.852 -4.160 -3.000 1.00 1.16 H new ATOM 582 N PRO A 37 -9.461 -0.374 -7.580 1.00 0.75 N ATOM 583 CA PRO A 37 -9.055 0.936 -8.000 1.00 0.79 C ATOM 584 C PRO A 37 -8.246 1.675 -6.991 1.00 0.75 C ATOM 585 O PRO A 37 -8.497 1.615 -5.788 1.00 0.75 O ATOM 586 CB PRO A 37 -10.368 1.612 -8.388 1.00 0.95 C ATOM 587 CG PRO A 37 -11.419 0.515 -8.626 1.00 1.02 C ATOM 588 CD PRO A 37 -10.852 -0.693 -7.861 1.00 0.85 C ATOM 0 HA PRO A 37 -8.355 0.906 -8.835 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.696 2.288 -7.598 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.235 2.213 -9.287 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.398 0.807 -8.247 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.540 0.298 -9.687 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.407 -0.866 -6.939 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.931 -1.603 -8.456 1.00 0.85 H new ATOM 596 N PRO A 38 -7.232 2.424 -7.309 1.00 0.81 N ATOM 597 CA PRO A 38 -6.332 3.091 -6.413 1.00 0.85 C ATOM 598 C PRO A 38 -6.912 4.300 -5.764 1.00 0.89 C ATOM 599 O PRO A 38 -6.244 4.858 -4.895 1.00 0.99 O ATOM 600 CB PRO A 38 -5.148 3.377 -7.334 1.00 1.01 C ATOM 601 CG PRO A 38 -5.790 3.788 -8.669 1.00 1.25 C ATOM 602 CD PRO A 38 -6.952 2.782 -8.691 1.00 0.98 C ATOM 0 HA PRO A 38 -6.065 2.500 -5.537 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.518 4.172 -6.935 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.515 2.497 -7.452 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.129 4.824 -8.673 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.114 3.670 -9.516 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.832 3.220 -9.162 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.686 1.899 -9.272 1.00 0.98 H new ATOM 610 N ASP A 39 -8.164 4.660 -6.096 1.00 0.96 N ATOM 611 CA ASP A 39 -8.979 5.666 -5.489 1.00 1.11 C ATOM 612 C ASP A 39 -9.506 5.150 -4.194 1.00 1.00 C ATOM 613 O ASP A 39 -9.844 5.884 -3.266 1.00 1.14 O ATOM 614 CB ASP A 39 -10.083 6.147 -6.447 1.00 1.39 C ATOM 615 CG ASP A 39 -9.508 6.682 -7.751 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.745 7.684 -7.752 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.739 6.076 -8.831 1.00 2.23 O ATOM 0 H ASP A 39 -8.651 4.200 -6.865 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.378 6.550 -5.275 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.763 5.322 -6.661 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.670 6.927 -5.962 1.00 1.39 H new ATOM 622 N GLN A 40 -9.779 3.834 -4.151 1.00 0.87 N ATOM 623 CA GLN A 40 -10.376 3.223 -3.004 1.00 0.84 C ATOM 624 C GLN A 40 -9.336 2.933 -1.979 1.00 0.67 C ATOM 625 O GLN A 40 -9.555 2.750 -0.782 1.00 0.80 O ATOM 626 CB GLN A 40 -11.054 1.911 -3.434 1.00 0.95 C ATOM 627 CG GLN A 40 -11.970 2.089 -4.646 1.00 1.32 C ATOM 628 CD GLN A 40 -12.858 0.875 -4.878 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.445 -0.221 -4.501 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.000 1.145 -5.565 1.00 2.02 N ATOM 0 H GLN A 40 -9.585 3.189 -4.917 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.114 3.901 -2.575 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.289 1.171 -3.668 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.634 1.517 -2.600 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.594 2.971 -4.502 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.364 2.269 -5.534 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.227 2.106 -5.819 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.629 0.386 -5.827 1.00 2.02 H new ATOM 639 N GLN A 41 -8.089 2.759 -2.452 1.00 0.56 N ATOM 640 CA GLN A 41 -7.043 2.304 -1.590 1.00 0.51 C ATOM 641 C GLN A 41 -6.470 3.431 -0.804 1.00 0.49 C ATOM 642 O GLN A 41 -5.856 4.392 -1.267 1.00 0.65 O ATOM 643 CB GLN A 41 -5.940 1.651 -2.440 1.00 0.67 C ATOM 644 CG GLN A 41 -6.306 0.355 -3.166 1.00 0.69 C ATOM 645 CD GLN A 41 -5.178 0.029 -4.133 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.994 0.202 -3.848 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.456 -0.288 -5.427 1.00 0.61 N ATOM 0 H GLN A 41 -7.807 2.930 -3.417 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.456 1.578 -0.890 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.610 2.376 -3.184 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.087 1.449 -1.792 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.444 -0.457 -2.452 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.248 0.471 -3.703 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.421 -0.442 -5.718 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.699 -0.371 -6.106 1.00 0.61 H new ATOM 656 N ARG A 42 -6.531 3.136 0.507 1.00 0.47 N ATOM 657 CA ARG A 42 -5.849 3.876 1.522 1.00 0.55 C ATOM 658 C ARG A 42 -4.820 3.012 2.168 1.00 0.46 C ATOM 659 O ARG A 42 -5.138 2.257 3.086 1.00 0.52 O ATOM 660 CB ARG A 42 -6.817 4.397 2.598 1.00 0.73 C ATOM 661 CG ARG A 42 -7.776 5.419 1.985 1.00 1.04 C ATOM 662 CD ARG A 42 -8.609 6.235 2.977 1.00 1.28 C ATOM 663 NE ARG A 42 -9.375 7.338 2.334 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.049 8.262 3.080 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.040 8.202 4.443 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.840 9.209 2.496 1.00 2.78 N ATOM 0 H ARG A 42 -7.075 2.354 0.873 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.378 4.735 1.044 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.380 3.567 3.025 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.256 4.855 3.413 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.197 6.110 1.373 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.457 4.893 1.315 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.304 5.570 3.490 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.949 6.655 3.736 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.397 7.405 1.316 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.525 7.460 4.917 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.548 8.899 4.988 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.937 9.237 1.481 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.334 9.889 3.075 1.00 2.78 H new ATOM 680 N LEU A 43 -3.532 3.082 1.792 1.00 0.46 N ATOM 681 CA LEU A 43 -2.474 2.348 2.417 1.00 0.42 C ATOM 682 C LEU A 43 -2.013 2.960 3.695 1.00 0.43 C ATOM 683 O LEU A 43 -1.603 4.117 3.766 1.00 0.55 O ATOM 684 CB LEU A 43 -1.323 1.985 1.464 1.00 0.55 C ATOM 685 CG LEU A 43 -1.602 1.347 0.093 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.340 0.924 -0.678 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.581 0.174 0.267 1.00 1.12 C ATOM 0 H LEU A 43 -3.214 3.672 1.023 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.917 1.391 2.693 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.759 2.900 1.282 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.663 1.306 2.004 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.054 2.118 -0.530 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.627 0.484 -1.633 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.288 1.797 -0.855 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.215 0.191 -0.093 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.781 -0.280 -0.703 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -2.143 -0.570 0.933 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.514 0.539 0.695 1.00 1.12 H new ATOM 699 N ILE A 44 -2.007 2.187 4.796 1.00 0.42 N ATOM 700 CA ILE A 44 -1.500 2.690 6.034 1.00 0.46 C ATOM 701 C ILE A 44 -0.264 1.908 6.321 1.00 0.42 C ATOM 702 O ILE A 44 -0.291 0.691 6.499 1.00 0.53 O ATOM 703 CB ILE A 44 -2.501 2.631 7.149 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.869 3.229 6.778 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.970 3.334 8.409 1.00 1.38 C ATOM 706 CD1 ILE A 44 -3.840 4.705 6.383 1.00 1.27 C ATOM 0 H ILE A 44 -2.348 1.226 4.830 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.276 3.754 5.953 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.649 1.569 7.347 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.288 2.655 5.952 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.544 3.108 7.625 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.717 3.275 9.201 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.053 2.846 8.739 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.763 4.380 8.182 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -4.849 5.036 6.139 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.455 5.296 7.214 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.195 4.837 5.514 1.00 1.27 H new ATOM 718 N PHE A 45 0.877 2.597 6.499 1.00 0.42 N ATOM 719 CA PHE A 45 2.007 1.885 7.010 1.00 0.46 C ATOM 720 C PHE A 45 2.071 1.939 8.498 1.00 0.68 C ATOM 721 O PHE A 45 1.820 0.934 9.160 1.00 1.50 O ATOM 722 CB PHE A 45 3.195 2.576 6.322 1.00 0.56 C ATOM 723 CG PHE A 45 4.535 2.031 6.678 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.641 0.669 6.841 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.579 2.848 7.042 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.860 0.154 7.213 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.800 2.339 7.419 1.00 1.33 C ATOM 728 CZ PHE A 45 6.880 0.981 7.619 1.00 1.02 C ATOM 0 H PHE A 45 1.017 3.588 6.303 1.00 0.42 H new ATOM 0 HA PHE A 45 1.979 0.816 6.800 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.064 2.500 5.243 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.173 3.637 6.572 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.791 0.023 6.681 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.437 3.919 7.032 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.018 -0.914 7.186 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.660 2.979 7.552 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.751 0.561 8.099 1.00 1.02 H new ATOM 738 N ALA A 46 2.443 3.076 9.113 1.00 0.81 N ATOM 739 CA ALA A 46 2.562 3.323 10.517 1.00 0.96 C ATOM 740 C ALA A 46 1.280 3.689 11.179 1.00 0.97 C ATOM 741 O ALA A 46 0.656 2.935 11.926 1.00 1.21 O ATOM 742 CB ALA A 46 3.532 4.506 10.673 1.00 1.20 C ATOM 0 H ALA A 46 2.684 3.905 8.569 1.00 0.81 H new ATOM 0 HA ALA A 46 2.904 2.404 10.992 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.658 4.736 11.731 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.498 4.244 10.241 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.129 5.378 10.158 1.00 1.20 H new ATOM 748 N GLY A 47 0.646 4.855 10.964 1.00 0.99 N ATOM 749 CA GLY A 47 -0.553 5.252 11.635 1.00 1.10 C ATOM 750 C GLY A 47 -1.222 6.474 11.105 1.00 1.03 C ATOM 751 O GLY A 47 -1.982 7.213 11.728 1.00 1.30 O ATOM 0 H GLY A 47 0.982 5.549 10.296 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.262 4.425 11.591 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.320 5.416 12.687 1.00 1.10 H new ATOM 755 N LYS A 48 -0.808 6.791 9.867 1.00 0.98 N ATOM 756 CA LYS A 48 -1.317 7.899 9.119 1.00 1.05 C ATOM 757 C LYS A 48 -1.422 7.474 7.695 1.00 0.84 C ATOM 758 O LYS A 48 -0.867 6.437 7.335 1.00 0.81 O ATOM 759 CB LYS A 48 -0.271 9.009 9.320 1.00 1.42 C ATOM 760 CG LYS A 48 -0.698 10.354 8.730 1.00 1.61 C ATOM 761 CD LYS A 48 0.250 11.460 9.200 1.00 1.87 C ATOM 762 CE LYS A 48 1.638 11.330 8.570 1.00 2.22 C ATOM 763 NZ LYS A 48 2.647 12.088 9.343 1.00 2.55 N ATOM 0 H LYS A 48 -0.095 6.259 9.369 1.00 0.98 H new ATOM 0 HA LYS A 48 -2.303 8.245 9.428 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.081 9.131 10.386 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.669 8.701 8.862 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -0.694 10.300 7.641 1.00 1.61 H new ATOM 0 HG3 LYS A 48 -1.719 10.586 9.034 1.00 1.61 H new ATOM 0 HD2 LYS A 48 -0.173 12.432 8.947 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.340 11.424 10.286 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.924 10.279 8.526 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.611 11.697 7.544 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.579 11.983 8.894 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 2.384 13.094 9.364 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.688 11.721 10.315 1.00 2.55 H new ATOM 777 N GLN A 49 -2.190 8.206 6.868 1.00 0.84 N ATOM 778 CA GLN A 49 -2.152 8.024 5.450 1.00 0.80 C ATOM 779 C GLN A 49 -0.882 8.336 4.734 1.00 0.72 C ATOM 780 O GLN A 49 0.024 9.008 5.221 1.00 0.83 O ATOM 781 CB GLN A 49 -3.348 8.804 4.878 1.00 1.03 C ATOM 782 CG GLN A 49 -4.692 8.242 5.344 1.00 1.67 C ATOM 783 CD GLN A 49 -5.834 9.233 5.169 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.908 10.034 4.238 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.790 9.173 6.133 1.00 2.48 N ATOM 0 H GLN A 49 -2.840 8.927 7.183 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.213 6.950 5.273 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.272 9.849 5.177 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.306 8.780 3.789 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.915 7.334 4.784 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.619 7.960 6.394 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.705 8.500 6.894 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.593 9.801 6.095 1.00 2.48 H new ATOM 794 N LEU A 50 -0.786 7.935 3.453 1.00 0.69 N ATOM 795 CA LEU A 50 0.395 8.006 2.650 1.00 0.66 C ATOM 796 C LEU A 50 0.058 8.805 1.438 1.00 0.72 C ATOM 797 O LEU A 50 -0.889 8.457 0.735 1.00 0.90 O ATOM 798 CB LEU A 50 0.882 6.628 2.173 1.00 0.65 C ATOM 799 CG LEU A 50 1.402 5.694 3.279 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.809 4.311 2.743 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.505 6.294 4.167 1.00 0.74 C ATOM 0 H LEU A 50 -1.580 7.538 2.950 1.00 0.69 H new ATOM 0 HA LEU A 50 1.187 8.447 3.255 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.061 6.130 1.656 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.677 6.775 1.442 1.00 0.65 H new ATOM 0 HG LEU A 50 0.541 5.563 3.934 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.168 3.693 3.566 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.946 3.832 2.279 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.601 4.426 2.003 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.807 5.562 4.916 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.364 6.558 3.551 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.126 7.187 4.664 1.00 0.74 H new ATOM 813 N GLU A 51 0.819 9.852 1.071 1.00 0.70 N ATOM 814 CA GLU A 51 0.454 10.577 -0.106 1.00 0.76 C ATOM 815 C GLU A 51 1.055 10.091 -1.379 1.00 0.77 C ATOM 816 O GLU A 51 2.087 9.423 -1.391 1.00 1.23 O ATOM 817 CB GLU A 51 0.791 12.068 0.059 1.00 0.88 C ATOM 818 CG GLU A 51 0.249 12.661 1.362 1.00 1.35 C ATOM 819 CD GLU A 51 0.664 14.120 1.494 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.874 14.450 1.614 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.267 14.956 1.346 1.00 1.89 O ATOM 0 H GLU A 51 1.649 10.185 1.562 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.619 10.410 -0.199 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.873 12.196 0.030 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.382 12.623 -0.785 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.838 12.582 1.380 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.624 12.091 2.212 1.00 1.35 H new ATOM 828 N ASP A 52 0.354 10.333 -2.502 1.00 0.66 N ATOM 829 CA ASP A 52 0.500 9.773 -3.808 1.00 0.65 C ATOM 830 C ASP A 52 1.737 10.169 -4.538 1.00 0.60 C ATOM 831 O ASP A 52 2.313 9.312 -5.207 1.00 0.62 O ATOM 832 CB ASP A 52 -0.684 10.131 -4.723 1.00 0.81 C ATOM 833 CG ASP A 52 -1.988 9.420 -4.387 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.430 9.614 -3.224 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.466 8.553 -5.167 1.00 1.44 O ATOM 0 H ASP A 52 -0.411 11.008 -2.486 1.00 0.66 H new ATOM 0 HA ASP A 52 0.550 8.704 -3.603 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.850 11.207 -4.674 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.413 9.896 -5.752 1.00 0.81 H new ATOM 840 N GLY A 53 2.262 11.406 -4.472 1.00 0.68 N ATOM 841 CA GLY A 53 3.547 11.768 -4.985 1.00 0.73 C ATOM 842 C GLY A 53 4.541 11.789 -3.875 1.00 0.72 C ATOM 843 O GLY A 53 5.386 12.673 -4.001 1.00 0.97 O ATOM 0 H GLY A 53 1.769 12.188 -4.042 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.857 11.057 -5.751 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.497 12.748 -5.460 1.00 0.73 H new ATOM 847 N ARG A 54 4.599 10.826 -2.938 1.00 0.64 N ATOM 848 CA ARG A 54 5.709 10.674 -2.049 1.00 0.63 C ATOM 849 C ARG A 54 6.198 9.286 -2.286 1.00 0.59 C ATOM 850 O ARG A 54 5.472 8.375 -2.678 1.00 0.62 O ATOM 851 CB ARG A 54 5.244 10.739 -0.585 1.00 0.69 C ATOM 852 CG ARG A 54 4.514 12.003 -0.128 1.00 0.82 C ATOM 853 CD ARG A 54 5.339 13.286 -0.009 1.00 1.18 C ATOM 854 NE ARG A 54 4.359 14.329 0.407 1.00 1.50 N ATOM 855 CZ ARG A 54 4.622 15.659 0.562 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.893 16.156 0.541 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.580 16.472 0.905 1.00 2.49 N ATOM 0 H ARG A 54 3.859 10.138 -2.795 1.00 0.64 H new ATOM 0 HA ARG A 54 6.454 11.451 -2.219 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.588 9.888 -0.403 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.119 10.608 0.051 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.697 12.191 -0.824 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.064 11.800 0.844 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.137 13.177 0.726 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.811 13.542 -0.957 1.00 1.18 H new ATOM 0 HE ARG A 54 3.405 14.021 0.593 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.684 15.527 0.406 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.051 17.157 0.660 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.648 16.079 1.036 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.734 17.472 1.031 1.00 2.49 H new ATOM 871 N THR A 55 7.449 9.078 -1.838 1.00 0.63 N ATOM 872 CA THR A 55 8.054 7.800 -2.053 1.00 0.61 C ATOM 873 C THR A 55 7.926 6.871 -0.895 1.00 0.59 C ATOM 874 O THR A 55 7.442 7.231 0.176 1.00 0.64 O ATOM 875 CB THR A 55 9.443 7.887 -2.614 1.00 0.68 C ATOM 876 OG1 THR A 55 10.290 8.332 -1.565 1.00 0.75 O ATOM 877 CG2 THR A 55 9.393 8.881 -3.787 1.00 0.76 C ATOM 0 H THR A 55 8.023 9.763 -1.346 1.00 0.63 H new ATOM 0 HA THR A 55 7.461 7.334 -2.840 1.00 0.61 H new ATOM 0 HB THR A 55 9.825 6.935 -2.984 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.211 8.400 -1.894 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.386 8.975 -4.227 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.695 8.518 -4.542 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.062 9.855 -3.425 1.00 0.76 H new ATOM 885 N LEU A 56 8.251 5.581 -1.095 1.00 0.58 N ATOM 886 CA LEU A 56 8.449 4.488 -0.195 1.00 0.59 C ATOM 887 C LEU A 56 9.483 4.695 0.858 1.00 0.64 C ATOM 888 O LEU A 56 9.318 4.460 2.054 1.00 0.70 O ATOM 889 CB LEU A 56 8.760 3.184 -0.949 1.00 0.60 C ATOM 890 CG LEU A 56 7.564 2.616 -1.730 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.076 1.391 -2.507 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.451 2.091 -0.808 1.00 1.03 C ATOM 0 H LEU A 56 8.397 5.260 -2.052 1.00 0.58 H new ATOM 0 HA LEU A 56 7.494 4.418 0.326 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.582 3.364 -1.642 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.103 2.436 -0.235 1.00 0.60 H new ATOM 0 HG LEU A 56 7.162 3.413 -2.355 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.257 0.954 -3.078 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.870 1.698 -3.188 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.464 0.652 -1.806 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.632 1.702 -1.412 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.847 1.295 -0.177 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.085 2.904 -0.180 1.00 1.03 H new ATOM 904 N SER A 57 10.658 5.200 0.440 1.00 0.68 N ATOM 905 CA SER A 57 11.745 5.599 1.278 1.00 0.75 C ATOM 906 C SER A 57 11.485 6.692 2.258 1.00 0.76 C ATOM 907 O SER A 57 12.022 6.637 3.362 1.00 0.84 O ATOM 908 CB SER A 57 12.946 6.097 0.456 1.00 0.84 C ATOM 909 OG SER A 57 14.144 5.933 1.200 1.00 1.19 O ATOM 0 H SER A 57 10.861 5.338 -0.550 1.00 0.68 H new ATOM 0 HA SER A 57 11.928 4.676 1.828 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.011 5.543 -0.481 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.810 7.147 0.197 1.00 0.84 H new ATOM 0 HG SER A 57 14.904 6.251 0.670 1.00 1.19 H new ATOM 915 N ASP A 58 10.690 7.706 1.871 1.00 0.75 N ATOM 916 CA ASP A 58 10.249 8.851 2.606 1.00 0.78 C ATOM 917 C ASP A 58 9.768 8.485 3.967 1.00 0.77 C ATOM 918 O ASP A 58 10.246 8.928 5.012 1.00 0.86 O ATOM 919 CB ASP A 58 9.325 9.784 1.805 1.00 0.83 C ATOM 920 CG ASP A 58 9.207 11.234 2.252 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.174 11.565 3.468 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.044 12.112 1.363 1.00 1.86 O ATOM 0 H ASP A 58 10.312 7.720 0.924 1.00 0.75 H new ATOM 0 HA ASP A 58 11.125 9.477 2.778 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.665 9.781 0.769 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.325 9.350 1.813 1.00 0.83 H new ATOM 927 N TYR A 59 8.724 7.638 3.935 1.00 0.72 N ATOM 928 CA TYR A 59 7.976 7.171 5.060 1.00 0.73 C ATOM 929 C TYR A 59 8.589 6.067 5.851 1.00 0.76 C ATOM 930 O TYR A 59 8.070 5.670 6.893 1.00 0.89 O ATOM 931 CB TYR A 59 6.529 6.893 4.619 1.00 0.73 C ATOM 932 CG TYR A 59 5.804 8.073 4.071 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.566 9.132 4.916 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.228 7.982 2.827 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.668 10.098 4.527 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.383 8.984 2.412 1.00 0.70 C ATOM 937 CZ TYR A 59 4.123 10.030 3.266 1.00 0.74 C ATOM 938 OH TYR A 59 2.981 10.783 2.920 1.00 0.86 O ATOM 0 H TYR A 59 8.378 7.252 3.057 1.00 0.72 H new ATOM 0 HA TYR A 59 7.984 7.976 5.795 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.539 6.108 3.863 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.972 6.507 5.473 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.074 9.203 5.866 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.435 7.138 2.186 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.395 10.897 5.201 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.931 8.950 1.432 1.00 0.70 H new ATOM 0 HH TYR A 59 3.216 11.733 2.877 1.00 0.86 H new ATOM 948 N ASN A 60 9.768 5.606 5.397 1.00 0.74 N ATOM 949 CA ASN A 60 10.564 4.547 5.938 1.00 0.79 C ATOM 950 C ASN A 60 10.020 3.183 5.683 1.00 0.75 C ATOM 951 O ASN A 60 9.805 2.478 6.668 1.00 0.86 O ATOM 952 CB ASN A 60 11.080 4.800 7.365 1.00 0.95 C ATOM 953 CG ASN A 60 12.027 5.990 7.302 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.603 7.057 7.744 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.222 5.755 6.697 1.00 1.83 N ATOM 0 H ASN A 60 10.204 6.016 4.571 1.00 0.74 H new ATOM 0 HA ASN A 60 11.479 4.564 5.347 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.251 5.005 8.042 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.595 3.919 7.749 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.887 6.518 6.567 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.454 4.816 6.373 1.00 1.83 H new ATOM 962 N ILE A 61 9.709 2.840 4.421 1.00 0.67 N ATOM 963 CA ILE A 61 9.142 1.571 4.085 1.00 0.65 C ATOM 964 C ILE A 61 10.316 0.753 3.670 1.00 0.66 C ATOM 965 O ILE A 61 10.958 1.098 2.679 1.00 0.75 O ATOM 966 CB ILE A 61 8.015 1.626 3.096 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.908 2.494 3.720 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.438 0.210 2.925 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.811 2.999 2.785 1.00 0.82 C ATOM 0 H ILE A 61 9.854 3.454 3.620 1.00 0.67 H new ATOM 0 HA ILE A 61 8.621 1.120 4.930 1.00 0.65 H new ATOM 0 HB ILE A 61 8.359 2.020 2.140 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.436 1.919 4.516 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.379 3.359 4.187 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.617 0.236 2.208 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.218 -0.459 2.560 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.070 -0.151 3.885 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.097 3.597 3.351 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.255 3.612 2.000 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.297 2.150 2.335 1.00 0.82 H new ATOM 981 N GLN A 62 10.624 -0.343 4.385 1.00 0.67 N ATOM 982 CA GLN A 62 11.814 -1.096 4.131 1.00 0.70 C ATOM 983 C GLN A 62 11.501 -2.455 3.606 1.00 0.62 C ATOM 984 O GLN A 62 10.369 -2.890 3.402 1.00 0.64 O ATOM 985 CB GLN A 62 12.544 -1.237 5.478 1.00 0.85 C ATOM 986 CG GLN A 62 13.163 0.119 5.825 1.00 1.27 C ATOM 987 CD GLN A 62 13.800 0.073 7.207 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.451 0.842 8.101 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.781 -0.825 7.487 1.00 2.16 N ATOM 0 H GLN A 62 10.047 -0.710 5.142 1.00 0.67 H new ATOM 0 HA GLN A 62 12.420 -0.586 3.382 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.849 -1.549 6.257 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.316 -2.003 5.414 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.913 0.385 5.080 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.397 0.894 5.796 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.095 -1.478 6.769 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.203 -0.846 8.415 1.00 2.16 H new ATOM 998 N LYS A 63 12.498 -3.296 3.281 1.00 0.64 N ATOM 999 CA LYS A 63 12.370 -4.670 2.906 1.00 0.62 C ATOM 1000 C LYS A 63 11.843 -5.482 4.039 1.00 0.59 C ATOM 1001 O LYS A 63 12.302 -5.448 5.179 1.00 0.66 O ATOM 1002 CB LYS A 63 13.697 -5.155 2.298 1.00 0.74 C ATOM 1003 CG LYS A 63 14.773 -5.452 3.344 1.00 0.89 C ATOM 1004 CD LYS A 63 16.133 -5.929 2.829 1.00 1.11 C ATOM 1005 CE LYS A 63 16.769 -6.781 3.930 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.069 -7.193 3.355 1.00 2.12 N ATOM 0 H LYS A 63 13.471 -2.990 3.281 1.00 0.64 H new ATOM 0 HA LYS A 63 11.622 -4.796 2.123 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.512 -6.056 1.712 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.070 -4.398 1.609 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.932 -4.548 3.932 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.384 -6.210 4.024 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.014 -6.510 1.915 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.770 -5.079 2.586 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.902 -6.211 4.850 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.150 -7.644 4.176 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.580 -7.784 4.041 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.906 -7.736 2.483 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.635 -6.348 3.136 1.00 2.12 H new ATOM 1020 N GLU A 64 10.787 -6.263 3.746 1.00 0.57 N ATOM 1021 CA GLU A 64 10.141 -7.153 4.659 1.00 0.58 C ATOM 1022 C GLU A 64 9.184 -6.495 5.593 1.00 0.56 C ATOM 1023 O GLU A 64 9.056 -6.818 6.773 1.00 0.70 O ATOM 1024 CB GLU A 64 11.068 -8.169 5.349 1.00 0.72 C ATOM 1025 CG GLU A 64 12.025 -8.795 4.333 1.00 0.96 C ATOM 1026 CD GLU A 64 12.716 -9.970 5.011 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.118 -10.967 5.498 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.974 -9.982 4.959 1.00 1.69 O ATOM 0 H GLU A 64 10.361 -6.273 2.819 1.00 0.57 H new ATOM 0 HA GLU A 64 9.520 -7.761 4.002 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.637 -7.675 6.137 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.473 -8.948 5.826 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.480 -9.129 3.450 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.758 -8.062 3.997 1.00 0.96 H new ATOM 1035 N SER A 65 8.505 -5.478 5.034 1.00 0.51 N ATOM 1036 CA SER A 65 7.576 -4.602 5.677 1.00 0.51 C ATOM 1037 C SER A 65 6.149 -4.832 5.318 1.00 0.43 C ATOM 1038 O SER A 65 5.801 -4.930 4.142 1.00 0.50 O ATOM 1039 CB SER A 65 7.793 -3.091 5.484 1.00 0.65 C ATOM 1040 OG SER A 65 9.021 -2.549 5.946 1.00 1.04 O ATOM 0 H SER A 65 8.617 -5.250 4.046 1.00 0.51 H new ATOM 0 HA SER A 65 7.788 -4.874 6.711 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.705 -2.870 4.420 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.981 -2.566 5.987 1.00 0.65 H new ATOM 0 HG SER A 65 9.716 -2.690 5.270 1.00 1.04 H new ATOM 1046 N THR A 66 5.282 -5.046 6.324 1.00 0.45 N ATOM 1047 CA THR A 66 3.894 -5.324 6.127 1.00 0.45 C ATOM 1048 C THR A 66 3.075 -4.089 6.277 1.00 0.43 C ATOM 1049 O THR A 66 3.007 -3.512 7.361 1.00 0.58 O ATOM 1050 CB THR A 66 3.405 -6.423 7.024 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.255 -7.555 6.919 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.961 -6.805 6.655 1.00 0.78 C ATOM 0 H THR A 66 5.556 -5.025 7.306 1.00 0.45 H new ATOM 0 HA THR A 66 3.777 -5.680 5.104 1.00 0.45 H new ATOM 0 HB THR A 66 3.421 -6.069 8.055 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.928 -8.266 7.509 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.617 -7.603 7.312 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.314 -5.935 6.770 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.928 -7.147 5.621 1.00 0.78 H new ATOM 1060 N LEU A 67 2.399 -3.708 5.179 1.00 0.38 N ATOM 1061 CA LEU A 67 1.558 -2.551 5.167 1.00 0.38 C ATOM 1062 C LEU A 67 0.133 -2.970 5.275 1.00 0.37 C ATOM 1063 O LEU A 67 -0.236 -4.122 5.049 1.00 0.50 O ATOM 1064 CB LEU A 67 1.749 -1.660 3.927 1.00 0.46 C ATOM 1065 CG LEU A 67 3.168 -1.073 3.849 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.004 -1.799 2.780 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.053 0.433 3.565 1.00 1.31 C ATOM 0 H LEU A 67 2.436 -4.207 4.290 1.00 0.38 H new ATOM 0 HA LEU A 67 1.848 -1.945 6.026 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.548 -2.243 3.028 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.022 -0.848 3.949 1.00 0.46 H new ATOM 0 HG LEU A 67 3.688 -1.218 4.796 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.004 -1.366 2.744 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.076 -2.857 3.031 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.525 -1.689 1.807 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.050 0.869 3.506 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.533 0.586 2.619 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.494 0.913 4.368 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.727 -1.987 5.596 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.117 -2.252 5.808 1.00 0.37 C ATOM 1081 C HIS A 68 -2.977 -1.498 4.854 1.00 0.35 C ATOM 1082 O HIS A 68 -2.900 -0.271 4.883 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.491 -1.787 7.226 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.467 -2.124 8.269 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.509 -1.221 8.683 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.306 -3.244 9.021 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.251 -1.846 9.621 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.278 -3.020 9.914 1.00 1.51 N ATOM 0 H HIS A 68 -0.461 -1.009 5.709 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.279 -3.320 5.665 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.642 -0.708 7.215 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.442 -2.239 7.506 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.393 -0.265 8.348 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -1.883 -4.153 8.935 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.152 -1.443 10.060 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.670 -2.199 3.940 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.593 -1.619 3.014 1.00 0.38 C ATOM 1098 C LEU A 69 -5.886 -1.396 3.719 1.00 0.41 C ATOM 1099 O LEU A 69 -6.392 -2.312 4.364 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.738 -2.605 1.841 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.900 -2.392 0.858 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.883 -0.994 0.217 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.943 -3.429 -0.277 1.00 1.14 C ATOM 0 H LEU A 69 -3.584 -3.211 3.842 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.253 -0.657 2.629 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.810 -2.583 1.270 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.833 -3.608 2.258 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.789 -2.508 1.478 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.725 -0.898 -0.468 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.961 -0.236 0.996 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.951 -0.857 -0.332 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.788 -3.217 -0.932 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.018 -3.379 -0.851 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.054 -4.427 0.146 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.493 -0.202 3.602 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.850 0.025 3.991 1.00 0.56 C ATOM 1117 C VAL A 70 -8.588 0.301 2.726 1.00 0.55 C ATOM 1118 O VAL A 70 -8.013 0.958 1.860 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.923 1.206 4.912 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.305 1.862 5.072 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.366 0.785 6.283 1.00 0.97 C ATOM 0 H VAL A 70 -6.029 0.626 3.228 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.274 -0.827 4.522 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.323 1.986 4.444 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.231 2.703 5.761 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.654 2.217 4.102 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.011 1.131 5.466 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.410 1.631 6.969 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.962 -0.036 6.681 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.331 0.462 6.172 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.713 -0.403 2.506 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.505 -0.215 1.329 1.00 0.84 C ATOM 1133 C LEU A 71 -11.633 0.700 1.658 1.00 0.85 C ATOM 1134 O LEU A 71 -12.505 0.347 2.451 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.211 -1.474 0.797 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.934 -1.350 -0.555 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.874 -1.365 -1.670 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.936 -2.471 -0.879 1.00 2.78 C ATOM 0 H LEU A 71 -10.076 -1.107 3.148 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.796 0.144 0.583 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.469 -2.268 0.713 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.939 -1.795 1.542 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.507 -0.425 -0.491 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.364 -1.278 -2.640 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.190 -0.527 -1.533 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.315 -2.300 -1.629 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.388 -2.285 -1.853 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.417 -3.429 -0.897 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.715 -2.494 -0.117 1.00 2.78 H new