USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 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 Set 1.1: A 7 THR OG1 : rot 118:sc= 1.35 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.555 K(o=-0.56,f=-2.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.08 (180deg=-0.168!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.199 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0061 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 2.12 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= 0.638 K(o=0.64,f=-1.1) 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) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.41 USER MOD Single : A 57 SER OG : rot 180:sc= -0.644 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.379 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 1.1 K(o=1.1,f=-0.051) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.132 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=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.129 -4.869 -4.189 1.00 0.78 N ATOM 2 CA MET A 1 12.971 -5.230 -2.763 1.00 0.70 C ATOM 3 C MET A 1 11.563 -5.704 -2.650 1.00 0.62 C ATOM 4 O MET A 1 10.850 -5.582 -3.645 1.00 0.68 O ATOM 5 CB MET A 1 13.193 -4.129 -1.714 1.00 0.75 C ATOM 6 CG MET A 1 12.176 -2.987 -1.784 1.00 0.79 C ATOM 7 SD MET A 1 12.698 -1.669 -0.646 1.00 1.10 S ATOM 8 CE MET A 1 11.145 -0.770 -0.366 1.00 0.84 C ATOM 0 H1 MET A 1 14.085 -4.492 -4.348 1.00 0.78 H new ATOM 0 H2 MET A 1 12.987 -5.714 -4.779 1.00 0.78 H new ATOM 0 H3 MET A 1 12.426 -4.147 -4.444 1.00 0.78 H new ATOM 0 HA MET A 1 13.753 -5.954 -2.532 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.155 -4.575 -0.720 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.195 -3.718 -1.840 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.109 -2.603 -2.802 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.184 -3.348 -1.514 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.324 0.063 0.314 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.769 -0.389 -1.315 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.408 -1.444 0.072 1.00 0.84 H new ATOM 20 N GLN A 2 11.049 -6.316 -1.568 1.00 0.59 N ATOM 21 CA GLN A 2 9.665 -6.669 -1.497 1.00 0.56 C ATOM 22 C GLN A 2 9.103 -5.925 -0.335 1.00 0.50 C ATOM 23 O GLN A 2 9.817 -5.524 0.581 1.00 0.60 O ATOM 24 CB GLN A 2 9.332 -8.170 -1.451 1.00 0.71 C ATOM 25 CG GLN A 2 10.046 -8.940 -0.338 1.00 1.15 C ATOM 26 CD GLN A 2 9.817 -10.444 -0.379 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.977 -10.989 -1.094 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.705 -11.165 0.356 1.00 1.72 N ATOM 0 H GLN A 2 11.592 -6.567 -0.742 1.00 0.59 H new ATOM 0 HA GLN A 2 9.201 -6.384 -2.441 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.256 -8.288 -1.325 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.592 -8.617 -2.410 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.116 -8.744 -0.404 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.711 -8.558 0.626 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.391 -10.687 0.940 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.685 -12.184 0.323 1.00 1.72 H new ATOM 37 N ILE A 3 7.781 -5.695 -0.423 1.00 0.44 N ATOM 38 CA ILE A 3 7.048 -5.236 0.716 1.00 0.42 C ATOM 39 C ILE A 3 5.792 -6.037 0.728 1.00 0.40 C ATOM 40 O ILE A 3 5.475 -6.715 -0.248 1.00 0.50 O ATOM 41 CB ILE A 3 6.680 -3.782 0.708 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.163 -3.453 -0.703 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.839 -2.919 1.234 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.435 -2.109 -0.670 1.00 0.72 C ATOM 0 H ILE A 3 7.226 -5.824 -1.269 1.00 0.44 H new ATOM 0 HA ILE A 3 7.684 -5.358 1.593 1.00 0.42 H new ATOM 0 HB ILE A 3 5.873 -3.545 1.402 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.994 -3.413 -1.408 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.489 -4.237 -1.049 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.547 -1.869 1.218 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.078 -3.214 2.256 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.715 -3.062 0.601 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.066 -1.870 -1.668 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.596 -2.167 0.023 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.123 -1.330 -0.342 1.00 0.72 H new ATOM 56 N PHE A 4 5.013 -6.015 1.823 1.00 0.37 N ATOM 57 CA PHE A 4 3.813 -6.762 2.042 1.00 0.38 C ATOM 58 C PHE A 4 2.705 -5.797 2.291 1.00 0.39 C ATOM 59 O PHE A 4 2.784 -4.870 3.095 1.00 0.60 O ATOM 60 CB PHE A 4 3.920 -7.702 3.255 1.00 0.45 C ATOM 61 CG PHE A 4 5.094 -8.617 3.198 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.983 -9.784 2.480 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.235 -8.403 3.935 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.984 -10.726 2.513 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.285 -9.283 3.826 1.00 1.40 C ATOM 66 CZ PHE A 4 7.161 -10.493 3.184 1.00 0.85 C ATOM 0 H PHE A 4 5.243 -5.424 2.622 1.00 0.37 H new ATOM 0 HA PHE A 4 3.632 -7.376 1.160 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.980 -7.103 4.164 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.009 -8.297 3.325 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.100 -9.963 1.884 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.305 -7.550 4.594 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.843 -11.667 2.002 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.238 -9.016 4.258 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.953 -11.227 3.206 1.00 0.85 H new ATOM 76 N VAL A 5 1.595 -5.877 1.536 1.00 0.35 N ATOM 77 CA VAL A 5 0.366 -5.174 1.738 1.00 0.35 C ATOM 78 C VAL A 5 -0.576 -6.183 2.299 1.00 0.35 C ATOM 79 O VAL A 5 -0.655 -7.238 1.670 1.00 0.46 O ATOM 80 CB VAL A 5 -0.180 -4.474 0.530 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.567 -3.853 0.771 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.790 -3.458 -0.100 1.00 0.56 C ATOM 0 H VAL A 5 1.556 -6.484 0.717 1.00 0.35 H new ATOM 0 HA VAL A 5 0.529 -4.338 2.418 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.304 -5.268 -0.206 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.909 -3.361 -0.140 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.273 -4.636 1.047 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.503 -3.122 1.577 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.320 -2.996 -0.968 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.037 -2.689 0.632 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.701 -3.969 -0.411 1.00 0.56 H new ATOM 92 N LYS A 6 -1.236 -5.789 3.402 1.00 0.36 N ATOM 93 CA LYS A 6 -2.131 -6.659 4.099 1.00 0.39 C ATOM 94 C LYS A 6 -3.522 -6.208 4.388 1.00 0.46 C ATOM 95 O LYS A 6 -3.786 -5.179 5.007 1.00 0.53 O ATOM 96 CB LYS A 6 -1.622 -7.295 5.405 1.00 0.54 C ATOM 97 CG LYS A 6 -2.042 -8.729 5.731 1.00 1.22 C ATOM 98 CD LYS A 6 -1.322 -9.361 6.923 1.00 1.37 C ATOM 99 CE LYS A 6 -1.387 -8.573 8.234 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.109 -9.406 9.425 1.00 2.09 N ATOM 0 H LYS A 6 -1.149 -4.860 3.814 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.165 -7.387 3.288 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.533 -7.265 5.386 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.944 -6.660 6.230 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.114 -8.742 5.926 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.870 -9.350 4.852 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.744 -10.351 7.095 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.274 -9.502 6.657 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.669 -7.754 8.195 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.376 -8.125 8.334 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.167 -8.818 10.281 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.809 -10.173 9.483 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.155 -9.813 9.349 1.00 2.09 H new ATOM 114 N THR A 7 -4.452 -7.030 3.869 1.00 0.58 N ATOM 115 CA THR A 7 -5.870 -6.900 4.003 1.00 0.78 C ATOM 116 C THR A 7 -6.405 -7.186 5.363 1.00 0.94 C ATOM 117 O THR A 7 -5.794 -7.858 6.192 1.00 0.99 O ATOM 118 CB THR A 7 -6.705 -7.669 3.021 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.876 -9.049 3.305 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.043 -7.619 1.634 1.00 0.92 C ATOM 0 H THR A 7 -4.192 -7.846 3.315 1.00 0.58 H new ATOM 0 HA THR A 7 -5.971 -5.837 3.782 1.00 0.78 H new ATOM 0 HB THR A 7 -7.681 -7.187 3.075 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.827 -9.239 3.443 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.649 -8.178 0.921 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.961 -6.582 1.307 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.048 -8.062 1.689 1.00 0.92 H new ATOM 128 N LEU A 8 -7.637 -6.724 5.642 1.00 1.17 N ATOM 129 CA LEU A 8 -8.416 -6.961 6.817 1.00 1.39 C ATOM 130 C LEU A 8 -8.625 -8.394 7.169 1.00 1.44 C ATOM 131 O LEU A 8 -8.372 -8.828 8.291 1.00 1.60 O ATOM 132 CB LEU A 8 -9.755 -6.223 6.651 1.00 1.66 C ATOM 133 CG LEU A 8 -10.613 -6.011 7.910 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.757 -5.530 9.094 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.746 -5.038 7.544 1.00 2.43 C ATOM 0 H LEU A 8 -8.133 -6.128 4.980 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.847 -6.576 7.663 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.548 -5.245 6.217 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.354 -6.773 5.925 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.052 -6.951 8.244 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.392 -5.389 9.969 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.993 -6.275 9.317 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.279 -4.585 8.837 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.375 -4.866 8.418 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.320 -4.091 7.212 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.348 -5.466 6.742 1.00 2.43 H new ATOM 147 N THR A 9 -9.028 -9.208 6.177 1.00 1.41 N ATOM 148 CA THR A 9 -9.344 -10.601 6.241 1.00 1.51 C ATOM 149 C THR A 9 -8.190 -11.512 6.480 1.00 1.37 C ATOM 150 O THR A 9 -8.325 -12.525 7.164 1.00 1.62 O ATOM 151 CB THR A 9 -9.922 -11.053 4.933 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.521 -10.222 3.853 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.457 -11.076 5.026 1.00 2.08 C ATOM 0 H THR A 9 -9.144 -8.848 5.230 1.00 1.41 H new ATOM 0 HA THR A 9 -10.027 -10.670 7.088 1.00 1.51 H new ATOM 0 HB THR A 9 -9.542 -12.055 4.735 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.918 -10.553 3.021 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.874 -11.405 4.074 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.764 -11.764 5.814 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.823 -10.075 5.256 1.00 2.08 H new ATOM 161 N GLY A 10 -6.993 -11.148 5.986 1.00 1.18 N ATOM 162 CA GLY A 10 -5.795 -11.893 6.216 1.00 1.22 C ATOM 163 C GLY A 10 -5.084 -12.118 4.925 1.00 0.99 C ATOM 164 O GLY A 10 -4.324 -13.081 4.853 1.00 1.31 O ATOM 0 H GLY A 10 -6.855 -10.316 5.413 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.148 -11.354 6.909 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.034 -12.849 6.681 1.00 1.22 H new ATOM 168 N LYS A 11 -5.196 -11.275 3.883 1.00 0.73 N ATOM 169 CA LYS A 11 -4.500 -11.616 2.681 1.00 0.60 C ATOM 170 C LYS A 11 -3.212 -10.869 2.658 1.00 0.51 C ATOM 171 O LYS A 11 -3.291 -9.641 2.614 1.00 0.63 O ATOM 172 CB LYS A 11 -5.400 -11.252 1.488 1.00 0.75 C ATOM 173 CG LYS A 11 -4.781 -11.721 0.169 1.00 0.87 C ATOM 174 CD LYS A 11 -5.866 -11.569 -0.898 1.00 1.04 C ATOM 175 CE LYS A 11 -5.461 -12.159 -2.250 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.412 -11.787 -3.321 1.00 1.40 N ATOM 0 H LYS A 11 -5.734 -10.408 3.866 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.274 -12.681 2.627 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.381 -11.709 1.616 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.552 -10.173 1.459 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.904 -11.124 -0.082 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.451 -12.757 0.242 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.778 -12.057 -0.553 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.098 -10.512 -1.024 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.462 -11.810 -2.514 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.409 -13.245 -2.171 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.933 -11.836 -4.243 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.218 -12.445 -3.314 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.755 -10.818 -3.160 1.00 1.40 H new ATOM 190 N THR A 12 -2.069 -11.569 2.552 1.00 0.49 N ATOM 191 CA THR A 12 -0.807 -10.920 2.368 1.00 0.48 C ATOM 192 C THR A 12 -0.517 -10.929 0.906 1.00 0.52 C ATOM 193 O THR A 12 -0.281 -11.907 0.199 1.00 0.72 O ATOM 194 CB THR A 12 0.349 -11.426 3.179 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.015 -11.786 4.503 1.00 0.77 O ATOM 196 CG2 THR A 12 1.348 -10.262 3.285 1.00 0.78 C ATOM 0 H THR A 12 -2.018 -12.587 2.594 1.00 0.49 H new ATOM 0 HA THR A 12 -0.913 -9.910 2.763 1.00 0.48 H new ATOM 0 HB THR A 12 0.748 -12.315 2.691 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.776 -12.109 4.983 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.213 -10.577 3.868 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.671 -9.968 2.286 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.869 -9.415 3.775 1.00 0.78 H new ATOM 204 N ILE A 13 -0.426 -9.713 0.340 1.00 0.48 N ATOM 205 CA ILE A 13 -0.065 -9.381 -1.003 1.00 0.55 C ATOM 206 C ILE A 13 1.401 -9.138 -0.893 1.00 0.51 C ATOM 207 O ILE A 13 1.776 -8.232 -0.150 1.00 0.56 O ATOM 208 CB ILE A 13 -0.836 -8.221 -1.562 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.319 -8.406 -1.200 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.632 -8.280 -3.085 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.126 -7.246 -1.780 1.00 1.55 C ATOM 0 H ILE A 13 -0.628 -8.874 0.884 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.308 -10.167 -1.718 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.508 -7.260 -1.167 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.687 -9.353 -1.594 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.440 -8.443 -0.117 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.171 -7.458 -3.556 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.431 -8.196 -3.313 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.011 -9.228 -3.466 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.179 -7.372 -1.526 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.763 -6.306 -1.364 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.013 -7.231 -2.864 1.00 1.55 H new ATOM 223 N THR A 14 2.248 -9.865 -1.644 1.00 0.55 N ATOM 224 CA THR A 14 3.647 -9.566 -1.646 1.00 0.54 C ATOM 225 C THR A 14 4.036 -8.963 -2.952 1.00 0.55 C ATOM 226 O THR A 14 4.219 -9.617 -3.977 1.00 0.72 O ATOM 227 CB THR A 14 4.632 -10.661 -1.362 1.00 0.67 C ATOM 228 OG1 THR A 14 4.137 -11.573 -0.393 1.00 1.08 O ATOM 229 CG2 THR A 14 6.016 -10.139 -0.942 1.00 1.03 C ATOM 0 H THR A 14 1.972 -10.646 -2.240 1.00 0.55 H new ATOM 0 HA THR A 14 3.722 -8.898 -0.788 1.00 0.54 H new ATOM 0 HB THR A 14 4.762 -11.188 -2.307 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.470 -11.321 0.494 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.680 -10.982 -0.751 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.430 -9.524 -1.740 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.920 -9.541 -0.036 1.00 1.03 H new ATOM 237 N LEU A 15 4.306 -7.647 -3.024 1.00 0.50 N ATOM 238 CA LEU A 15 4.649 -6.952 -4.225 1.00 0.55 C ATOM 239 C LEU A 15 6.119 -6.709 -4.255 1.00 0.52 C ATOM 240 O LEU A 15 6.804 -6.580 -3.242 1.00 0.58 O ATOM 241 CB LEU A 15 4.058 -5.532 -4.231 1.00 0.69 C ATOM 242 CG LEU A 15 2.559 -5.385 -3.920 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.255 -3.903 -3.643 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.751 -5.939 -5.106 1.00 1.55 C ATOM 0 H LEU A 15 4.284 -7.039 -2.205 1.00 0.50 H new ATOM 0 HA LEU A 15 4.282 -7.560 -5.052 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.612 -4.934 -3.507 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.242 -5.095 -5.213 1.00 0.69 H new ATOM 0 HG LEU A 15 2.278 -5.953 -3.033 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.194 -3.784 -3.421 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.844 -3.564 -2.791 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.510 -3.309 -4.520 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.686 -5.841 -4.898 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.998 -5.379 -6.008 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.996 -6.991 -5.254 1.00 1.55 H new ATOM 256 N GLU A 16 6.680 -6.607 -5.473 1.00 0.59 N ATOM 257 CA GLU A 16 8.021 -6.159 -5.684 1.00 0.63 C ATOM 258 C GLU A 16 8.051 -4.703 -5.997 1.00 0.65 C ATOM 259 O GLU A 16 7.318 -4.187 -6.840 1.00 0.81 O ATOM 260 CB GLU A 16 8.686 -6.930 -6.838 1.00 0.76 C ATOM 261 CG GLU A 16 10.201 -6.778 -6.991 1.00 1.41 C ATOM 262 CD GLU A 16 10.764 -7.570 -8.162 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.080 -8.766 -7.920 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.875 -7.051 -9.304 1.00 1.95 O ATOM 0 H GLU A 16 6.187 -6.843 -6.335 1.00 0.59 H new ATOM 0 HA GLU A 16 8.572 -6.344 -4.762 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.463 -7.989 -6.711 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.218 -6.615 -7.771 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.443 -5.723 -7.123 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.688 -7.104 -6.072 1.00 1.41 H new ATOM 271 N VAL A 17 8.933 -4.000 -5.265 1.00 0.61 N ATOM 272 CA VAL A 17 8.992 -2.574 -5.355 1.00 0.63 C ATOM 273 C VAL A 17 10.410 -2.118 -5.387 1.00 0.65 C ATOM 274 O VAL A 17 11.345 -2.820 -5.008 1.00 0.76 O ATOM 275 CB VAL A 17 8.206 -1.953 -4.238 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.712 -2.319 -4.248 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.829 -2.405 -2.907 1.00 0.92 C ATOM 0 H VAL A 17 9.601 -4.415 -4.615 1.00 0.61 H new ATOM 0 HA VAL A 17 8.533 -2.245 -6.287 1.00 0.63 H new ATOM 0 HB VAL A 17 8.254 -0.872 -4.369 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.212 -1.832 -3.411 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.262 -1.985 -5.183 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.602 -3.400 -4.158 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.274 -1.966 -2.078 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.787 -3.492 -2.836 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.868 -2.078 -2.862 1.00 0.92 H new ATOM 287 N GLU A 18 10.688 -0.872 -5.810 1.00 0.68 N ATOM 288 CA GLU A 18 11.885 -0.155 -5.496 1.00 0.74 C ATOM 289 C GLU A 18 11.665 0.892 -4.459 1.00 0.71 C ATOM 290 O GLU A 18 10.550 1.411 -4.433 1.00 0.74 O ATOM 291 CB GLU A 18 12.481 0.612 -6.689 1.00 0.88 C ATOM 292 CG GLU A 18 13.194 -0.170 -7.795 1.00 1.16 C ATOM 293 CD GLU A 18 14.569 -0.637 -7.339 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.522 0.187 -7.285 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.736 -1.852 -7.050 1.00 2.33 O ATOM 0 H GLU A 18 10.048 -0.339 -6.399 1.00 0.68 H new ATOM 0 HA GLU A 18 12.558 -0.944 -5.159 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.672 1.176 -7.154 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.189 1.339 -6.292 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.591 -1.031 -8.082 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.295 0.457 -8.681 1.00 1.16 H new ATOM 302 N PRO A 19 12.493 1.376 -3.580 1.00 0.74 N ATOM 303 CA PRO A 19 12.025 2.334 -2.621 1.00 0.74 C ATOM 304 C PRO A 19 11.807 3.729 -3.097 1.00 0.70 C ATOM 305 O PRO A 19 11.175 4.557 -2.443 1.00 0.74 O ATOM 306 CB PRO A 19 13.222 2.425 -1.678 1.00 0.86 C ATOM 307 CG PRO A 19 14.445 1.936 -2.470 1.00 0.95 C ATOM 308 CD PRO A 19 13.844 0.867 -3.396 1.00 0.82 C ATOM 0 HA PRO A 19 11.055 2.004 -2.248 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.367 3.449 -1.335 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.064 1.811 -0.791 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.911 2.744 -3.034 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.211 1.520 -1.816 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.386 0.788 -4.339 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.852 -0.123 -2.940 1.00 0.82 H new ATOM 316 N SER A 20 12.202 4.036 -4.346 1.00 0.70 N ATOM 317 CA SER A 20 11.992 5.252 -5.070 1.00 0.74 C ATOM 318 C SER A 20 10.652 5.335 -5.717 1.00 0.71 C ATOM 319 O SER A 20 10.299 6.404 -6.211 1.00 0.80 O ATOM 320 CB SER A 20 13.098 5.318 -6.137 1.00 0.89 C ATOM 321 OG SER A 20 14.386 5.069 -5.592 1.00 1.45 O ATOM 0 H SER A 20 12.723 3.360 -4.904 1.00 0.70 H new ATOM 0 HA SER A 20 12.029 6.091 -4.375 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.889 4.588 -6.919 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.088 6.301 -6.607 1.00 0.89 H new ATOM 0 HG SER A 20 15.058 5.119 -6.304 1.00 1.45 H new ATOM 327 N ASP A 21 9.910 4.212 -5.722 1.00 0.70 N ATOM 328 CA ASP A 21 8.608 4.318 -6.305 1.00 0.73 C ATOM 329 C ASP A 21 7.688 5.013 -5.361 1.00 0.64 C ATOM 330 O ASP A 21 7.864 4.978 -4.145 1.00 0.66 O ATOM 331 CB ASP A 21 8.021 2.971 -6.759 1.00 0.87 C ATOM 332 CG ASP A 21 8.757 2.605 -8.040 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.839 3.494 -8.930 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.032 1.389 -8.213 1.00 1.69 O ATOM 0 H ASP A 21 10.180 3.300 -5.355 1.00 0.70 H new ATOM 0 HA ASP A 21 8.716 4.908 -7.215 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.162 2.206 -5.995 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.948 3.052 -6.934 1.00 0.87 H new ATOM 339 N THR A 22 6.589 5.596 -5.872 1.00 0.63 N ATOM 340 CA THR A 22 5.600 6.245 -5.070 1.00 0.58 C ATOM 341 C THR A 22 4.511 5.379 -4.535 1.00 0.53 C ATOM 342 O THR A 22 4.167 4.384 -5.171 1.00 0.58 O ATOM 343 CB THR A 22 4.912 7.403 -5.730 1.00 0.63 C ATOM 344 OG1 THR A 22 4.343 7.030 -6.976 1.00 0.70 O ATOM 345 CG2 THR A 22 5.877 8.573 -5.984 1.00 0.75 C ATOM 0 H THR A 22 6.383 5.616 -6.871 1.00 0.63 H new ATOM 0 HA THR A 22 6.235 6.581 -4.250 1.00 0.58 H new ATOM 0 HB THR A 22 4.128 7.716 -5.041 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.901 7.806 -7.379 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.339 9.391 -6.463 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.290 8.917 -5.036 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.687 8.242 -6.634 1.00 0.75 H new ATOM 353 N ILE A 23 3.828 5.802 -3.456 1.00 0.51 N ATOM 354 CA ILE A 23 2.670 5.097 -3.001 1.00 0.48 C ATOM 355 C ILE A 23 1.660 4.952 -4.086 1.00 0.48 C ATOM 356 O ILE A 23 1.241 3.825 -4.349 1.00 0.51 O ATOM 357 CB ILE A 23 2.056 5.658 -1.753 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.934 5.378 -0.522 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.631 5.164 -1.449 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.168 6.273 -0.407 1.00 0.73 C ATOM 0 H ILE A 23 4.074 6.623 -2.904 1.00 0.51 H new ATOM 0 HA ILE A 23 3.028 4.105 -2.725 1.00 0.48 H new ATOM 0 HB ILE A 23 1.990 6.727 -1.955 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.328 5.499 0.376 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.257 4.337 -0.551 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.275 5.626 -0.528 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.031 5.435 -2.271 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.639 4.080 -1.332 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.729 6.006 0.489 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.800 6.136 -1.285 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.857 7.316 -0.343 1.00 0.73 H new ATOM 372 N GLU A 24 1.351 6.019 -4.846 1.00 0.50 N ATOM 373 CA GLU A 24 0.675 5.974 -6.104 1.00 0.53 C ATOM 374 C GLU A 24 1.017 4.919 -7.099 1.00 0.50 C ATOM 375 O GLU A 24 0.151 4.313 -7.728 1.00 0.55 O ATOM 376 CB GLU A 24 0.628 7.402 -6.675 1.00 0.64 C ATOM 377 CG GLU A 24 -0.006 7.390 -8.068 1.00 0.95 C ATOM 378 CD GLU A 24 -0.094 8.791 -8.656 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.897 9.449 -9.069 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.223 9.352 -8.645 1.00 1.56 O ATOM 0 H GLU A 24 1.588 6.970 -4.563 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.322 5.601 -5.869 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.054 8.049 -6.011 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.636 7.814 -6.729 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.581 6.753 -8.730 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.004 6.956 -8.010 1.00 0.95 H new ATOM 387 N ASN A 25 2.299 4.608 -7.357 1.00 0.51 N ATOM 388 CA ASN A 25 2.711 3.653 -8.338 1.00 0.52 C ATOM 389 C ASN A 25 2.656 2.273 -7.779 1.00 0.47 C ATOM 390 O ASN A 25 2.220 1.349 -8.463 1.00 0.53 O ATOM 391 CB ASN A 25 4.118 3.885 -8.913 1.00 0.64 C ATOM 392 CG ASN A 25 4.312 3.129 -10.219 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.937 2.085 -10.396 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.753 3.747 -11.294 1.00 1.57 N ATOM 0 H ASN A 25 3.080 5.039 -6.863 1.00 0.51 H new ATOM 0 HA ASN A 25 2.006 3.781 -9.159 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.274 4.951 -9.080 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.867 3.563 -8.189 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.856 3.343 -12.225 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.230 4.614 -11.169 1.00 1.57 H new ATOM 401 N VAL A 26 2.932 2.002 -6.490 1.00 0.45 N ATOM 402 CA VAL A 26 2.745 0.772 -5.786 1.00 0.44 C ATOM 403 C VAL A 26 1.287 0.460 -5.779 1.00 0.40 C ATOM 404 O VAL A 26 0.947 -0.716 -5.892 1.00 0.44 O ATOM 405 CB VAL A 26 3.221 0.860 -4.366 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.920 -0.432 -3.588 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.723 1.193 -4.347 1.00 0.62 C ATOM 0 H VAL A 26 3.326 2.720 -5.882 1.00 0.45 H new ATOM 0 HA VAL A 26 3.324 -0.004 -6.287 1.00 0.44 H new ATOM 0 HB VAL A 26 2.678 1.660 -3.864 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.279 -0.332 -2.564 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.845 -0.610 -3.580 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.423 -1.271 -4.068 1.00 0.60 H new ATOM 0 HG21 VAL A 26 5.068 1.257 -3.315 1.00 0.62 H new ATOM 0 HG22 VAL A 26 5.276 0.411 -4.867 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.890 2.148 -4.845 1.00 0.62 H new ATOM 417 N LYS A 27 0.383 1.445 -5.640 1.00 0.40 N ATOM 418 CA LYS A 27 -1.024 1.198 -5.720 1.00 0.41 C ATOM 419 C LYS A 27 -1.623 0.779 -7.018 1.00 0.38 C ATOM 420 O LYS A 27 -2.644 0.122 -7.218 1.00 0.42 O ATOM 421 CB LYS A 27 -1.768 2.467 -5.274 1.00 0.51 C ATOM 422 CG LYS A 27 -1.640 2.616 -3.757 1.00 0.76 C ATOM 423 CD LYS A 27 -2.606 3.615 -3.116 1.00 0.82 C ATOM 424 CE LYS A 27 -2.887 4.903 -3.893 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.954 5.733 -3.289 1.00 1.11 N ATOM 0 H LYS A 27 0.628 2.420 -5.471 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.143 0.324 -5.080 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.352 3.342 -5.774 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.818 2.406 -5.558 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -1.795 1.640 -3.298 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.620 2.920 -3.523 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.556 3.107 -2.946 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.211 3.888 -2.137 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.970 5.490 -3.953 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.169 4.648 -4.914 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.284 6.433 -3.983 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.749 5.125 -3.006 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.580 6.225 -2.452 1.00 1.11 H new ATOM 439 N ALA A 28 -0.903 1.167 -8.086 1.00 0.39 N ATOM 440 CA ALA A 28 -1.126 0.713 -9.425 1.00 0.39 C ATOM 441 C ALA A 28 -0.880 -0.745 -9.604 1.00 0.36 C ATOM 442 O ALA A 28 -1.319 -1.343 -10.585 1.00 0.42 O ATOM 443 CB ALA A 28 -0.397 1.568 -10.475 1.00 0.51 C ATOM 0 H ALA A 28 -0.129 1.828 -8.013 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.192 0.855 -9.603 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.604 1.176 -11.471 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.746 2.599 -10.411 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.676 1.537 -10.288 1.00 0.51 H new ATOM 449 N LYS A 29 -0.194 -1.489 -8.718 1.00 0.39 N ATOM 450 CA LYS A 29 0.045 -2.893 -8.845 1.00 0.43 C ATOM 451 C LYS A 29 -1.056 -3.712 -8.264 1.00 0.44 C ATOM 452 O LYS A 29 -1.367 -4.770 -8.809 1.00 0.54 O ATOM 453 CB LYS A 29 1.262 -3.237 -7.970 1.00 0.54 C ATOM 454 CG LYS A 29 2.505 -2.479 -8.439 1.00 0.65 C ATOM 455 CD LYS A 29 3.804 -2.875 -7.734 1.00 1.08 C ATOM 456 CE LYS A 29 5.031 -1.996 -7.989 1.00 1.24 C ATOM 457 NZ LYS A 29 5.483 -2.059 -9.397 1.00 1.44 N ATOM 0 H LYS A 29 0.214 -1.092 -7.872 1.00 0.39 H new ATOM 0 HA LYS A 29 0.161 -3.105 -9.908 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.050 -2.987 -6.931 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.450 -4.310 -8.008 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.627 -2.638 -9.510 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.339 -1.412 -8.292 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.615 -2.890 -6.661 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.051 -3.895 -8.028 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.796 -0.963 -7.731 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.844 -2.311 -7.334 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.316 -1.448 -9.522 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.733 -3.039 -9.638 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.718 -1.734 -10.022 1.00 1.44 H new ATOM 471 N ILE A 30 -1.720 -3.191 -7.217 1.00 0.41 N ATOM 472 CA ILE A 30 -2.883 -3.816 -6.669 1.00 0.44 C ATOM 473 C ILE A 30 -3.972 -3.763 -7.685 1.00 0.45 C ATOM 474 O ILE A 30 -4.906 -4.561 -7.748 1.00 0.56 O ATOM 475 CB ILE A 30 -3.204 -3.367 -5.275 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.015 -3.920 -4.471 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.543 -3.947 -4.790 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.744 -3.199 -3.151 1.00 1.32 C ATOM 0 H ILE A 30 -1.448 -2.328 -6.746 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.703 -4.875 -6.483 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.325 -2.288 -5.180 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.194 -4.975 -4.263 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.119 -3.865 -5.090 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.744 -3.601 -3.776 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.344 -3.616 -5.451 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.492 -5.036 -4.798 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.889 -3.658 -2.655 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.529 -2.149 -3.348 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.621 -3.276 -2.508 1.00 1.32 H new ATOM 490 N GLN A 31 -3.829 -2.858 -8.669 1.00 0.41 N ATOM 491 CA GLN A 31 -4.749 -2.679 -9.749 1.00 0.48 C ATOM 492 C GLN A 31 -4.642 -3.761 -10.768 1.00 0.52 C ATOM 493 O GLN A 31 -5.669 -4.331 -11.135 1.00 0.66 O ATOM 494 CB GLN A 31 -4.504 -1.326 -10.440 1.00 0.52 C ATOM 495 CG GLN A 31 -5.480 -0.950 -11.557 1.00 0.70 C ATOM 496 CD GLN A 31 -5.370 0.487 -12.047 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.314 1.113 -11.955 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.438 0.938 -12.759 1.00 1.43 N ATOM 0 H GLN A 31 -3.034 -2.221 -8.714 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.749 -2.711 -9.317 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.534 -0.544 -9.681 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.496 -1.330 -10.854 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.319 -1.620 -12.402 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.497 -1.121 -11.204 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.292 0.382 -12.805 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.385 1.832 -13.247 1.00 1.43 H new ATOM 507 N ASP A 32 -3.431 -4.177 -11.176 1.00 0.50 N ATOM 508 CA ASP A 32 -3.196 -5.345 -11.968 1.00 0.60 C ATOM 509 C ASP A 32 -3.556 -6.569 -11.197 1.00 0.65 C ATOM 510 O ASP A 32 -4.355 -7.359 -11.696 1.00 0.81 O ATOM 511 CB ASP A 32 -1.736 -5.430 -12.444 1.00 0.67 C ATOM 512 CG ASP A 32 -1.386 -4.391 -13.499 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.836 -4.506 -14.671 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.528 -3.521 -13.193 1.00 1.55 O ATOM 0 H ASP A 32 -2.574 -3.675 -10.943 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.828 -5.275 -12.853 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.074 -5.305 -11.587 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.550 -6.425 -12.848 1.00 0.67 H new ATOM 519 N LYS A 33 -3.026 -6.786 -9.980 1.00 0.62 N ATOM 520 CA LYS A 33 -3.187 -7.981 -9.211 1.00 0.73 C ATOM 521 C LYS A 33 -4.613 -8.274 -8.899 1.00 0.69 C ATOM 522 O LYS A 33 -5.199 -9.277 -9.304 1.00 0.83 O ATOM 523 CB LYS A 33 -2.523 -7.876 -7.828 1.00 0.85 C ATOM 524 CG LYS A 33 -0.994 -7.935 -7.788 1.00 1.31 C ATOM 525 CD LYS A 33 -0.603 -9.323 -8.300 1.00 1.71 C ATOM 526 CE LYS A 33 0.899 -9.604 -8.225 1.00 2.26 C ATOM 527 NZ LYS A 33 1.315 -10.805 -8.982 1.00 2.62 N ATOM 0 H LYS A 33 -2.453 -6.088 -9.506 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.736 -8.753 -9.835 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.838 -6.938 -7.370 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.910 -8.681 -7.204 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.559 -7.154 -8.411 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.625 -7.777 -6.775 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.135 -10.078 -7.720 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.932 -9.425 -9.334 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.442 -8.739 -8.606 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.186 -9.726 -7.180 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.342 -10.936 -8.888 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.824 -11.640 -8.605 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.072 -10.684 -9.986 1.00 2.62 H new ATOM 541 N GLU A 34 -5.232 -7.455 -8.029 1.00 0.63 N ATOM 542 CA GLU A 34 -6.483 -7.640 -7.364 1.00 0.67 C ATOM 543 C GLU A 34 -7.646 -7.098 -8.123 1.00 0.69 C ATOM 544 O GLU A 34 -8.707 -7.716 -8.196 1.00 0.95 O ATOM 545 CB GLU A 34 -6.622 -7.031 -5.959 1.00 0.73 C ATOM 546 CG GLU A 34 -5.503 -7.551 -5.055 1.00 0.83 C ATOM 547 CD GLU A 34 -5.814 -8.975 -4.617 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.789 -9.167 -3.842 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.064 -9.924 -4.967 1.00 1.37 O ATOM 0 H GLU A 34 -4.805 -6.567 -7.766 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.489 -8.727 -7.290 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.578 -5.943 -6.018 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.593 -7.288 -5.536 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.552 -7.524 -5.586 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.399 -6.907 -4.182 1.00 0.83 H new ATOM 556 N GLY A 35 -7.394 -5.912 -8.706 1.00 0.63 N ATOM 557 CA GLY A 35 -8.405 -5.412 -9.585 1.00 0.68 C ATOM 558 C GLY A 35 -9.144 -4.265 -8.985 1.00 0.76 C ATOM 559 O GLY A 35 -10.318 -4.036 -9.271 1.00 1.12 O ATOM 0 H GLY A 35 -6.560 -5.337 -8.585 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.948 -5.099 -10.523 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.107 -6.211 -9.824 1.00 0.68 H new ATOM 563 N ILE A 36 -8.370 -3.530 -8.167 1.00 0.70 N ATOM 564 CA ILE A 36 -8.773 -2.402 -7.387 1.00 0.76 C ATOM 565 C ILE A 36 -8.108 -1.170 -7.899 1.00 0.71 C ATOM 566 O ILE A 36 -6.887 -1.084 -8.008 1.00 0.73 O ATOM 567 CB ILE A 36 -8.300 -2.647 -5.985 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.966 -3.934 -5.468 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.818 -1.480 -5.127 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.834 -4.235 -3.977 1.00 1.16 C ATOM 0 H ILE A 36 -7.381 -3.744 -8.042 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.854 -2.271 -7.434 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.214 -2.733 -5.944 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.028 -3.887 -5.711 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.550 -4.776 -6.021 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.496 -1.617 -4.095 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.418 -0.541 -5.510 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.907 -1.454 -5.167 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.348 -5.169 -3.747 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.780 -4.327 -3.716 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.280 -3.424 -3.401 1.00 1.16 H new ATOM 582 N PRO A 37 -8.745 -0.137 -8.366 1.00 0.75 N ATOM 583 CA PRO A 37 -8.136 1.092 -8.784 1.00 0.79 C ATOM 584 C PRO A 37 -7.422 1.870 -7.734 1.00 0.75 C ATOM 585 O PRO A 37 -7.770 1.639 -6.577 1.00 0.75 O ATOM 586 CB PRO A 37 -9.265 1.877 -9.447 1.00 0.95 C ATOM 587 CG PRO A 37 -10.501 1.484 -8.623 1.00 1.02 C ATOM 588 CD PRO A 37 -10.194 -0.004 -8.391 1.00 0.85 C ATOM 0 HA PRO A 37 -7.310 0.876 -9.462 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.083 2.951 -9.411 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.379 1.608 -10.497 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.578 2.045 -7.692 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.433 1.639 -9.167 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.630 -0.347 -7.452 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.624 -0.615 -9.184 1.00 0.85 H new ATOM 596 N PRO A 38 -6.468 2.740 -7.889 1.00 0.81 N ATOM 597 CA PRO A 38 -5.699 3.295 -6.815 1.00 0.85 C ATOM 598 C PRO A 38 -6.389 4.318 -5.980 1.00 0.89 C ATOM 599 O PRO A 38 -6.039 4.620 -4.840 1.00 0.99 O ATOM 600 CB PRO A 38 -4.467 3.799 -7.564 1.00 1.01 C ATOM 601 CG PRO A 38 -4.894 4.131 -9.002 1.00 1.25 C ATOM 602 CD PRO A 38 -6.039 3.129 -9.224 1.00 0.98 C ATOM 0 HA PRO A 38 -5.476 2.570 -6.032 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.057 4.682 -7.074 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.683 3.041 -7.564 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.228 5.164 -9.102 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.081 3.989 -9.714 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.857 3.583 -9.784 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.701 2.265 -9.797 1.00 0.98 H new ATOM 610 N ASP A 39 -7.449 4.940 -6.526 1.00 0.96 N ATOM 611 CA ASP A 39 -8.418 5.760 -5.868 1.00 1.11 C ATOM 612 C ASP A 39 -9.165 5.110 -4.754 1.00 1.00 C ATOM 613 O ASP A 39 -9.491 5.743 -3.751 1.00 1.14 O ATOM 614 CB ASP A 39 -9.497 6.316 -6.813 1.00 1.39 C ATOM 615 CG ASP A 39 -8.914 6.999 -8.042 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.061 6.443 -8.784 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.425 8.130 -8.261 1.00 2.23 O ATOM 0 H ASP A 39 -7.644 4.859 -7.524 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.779 6.549 -5.470 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.149 5.502 -7.131 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.118 7.027 -6.269 1.00 1.39 H new ATOM 622 N GLN A 40 -9.423 3.798 -4.901 1.00 0.87 N ATOM 623 CA GLN A 40 -10.095 3.067 -3.873 1.00 0.84 C ATOM 624 C GLN A 40 -9.172 2.572 -2.813 1.00 0.67 C ATOM 625 O GLN A 40 -9.501 1.932 -1.815 1.00 0.80 O ATOM 626 CB GLN A 40 -10.734 1.782 -4.427 1.00 0.95 C ATOM 627 CG GLN A 40 -12.026 2.007 -5.214 1.00 1.32 C ATOM 628 CD GLN A 40 -12.607 0.692 -5.713 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.285 -0.428 -5.319 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.493 0.816 -6.737 1.00 2.02 N ATOM 0 H GLN A 40 -9.169 3.249 -5.722 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.822 3.775 -3.476 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.012 1.281 -5.072 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.942 1.107 -3.597 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.756 2.513 -4.582 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.828 2.664 -6.061 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.764 1.742 -7.068 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.887 -0.017 -7.174 1.00 2.02 H new ATOM 639 N GLN A 41 -7.854 2.811 -2.935 1.00 0.56 N ATOM 640 CA GLN A 41 -6.863 2.244 -2.073 1.00 0.51 C ATOM 641 C GLN A 41 -6.178 3.297 -1.271 1.00 0.49 C ATOM 642 O GLN A 41 -5.833 4.369 -1.763 1.00 0.65 O ATOM 643 CB GLN A 41 -5.771 1.529 -2.887 1.00 0.67 C ATOM 644 CG GLN A 41 -6.230 0.289 -3.659 1.00 0.69 C ATOM 645 CD GLN A 41 -4.976 -0.111 -4.423 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.810 -0.240 -4.056 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.096 -0.142 -5.777 1.00 0.61 N ATOM 0 H GLN A 41 -7.465 3.418 -3.656 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.386 1.544 -1.422 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.346 2.240 -3.596 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.969 1.237 -2.209 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.567 -0.503 -2.990 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.059 0.513 -4.330 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.014 -0.045 -6.210 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.268 -0.262 -6.360 1.00 0.61 H new ATOM 656 N ARG A 42 -6.103 3.115 0.060 1.00 0.47 N ATOM 657 CA ARG A 42 -5.334 3.939 0.941 1.00 0.55 C ATOM 658 C ARG A 42 -4.518 2.980 1.737 1.00 0.46 C ATOM 659 O ARG A 42 -5.060 1.972 2.186 1.00 0.52 O ATOM 660 CB ARG A 42 -6.255 4.702 1.908 1.00 0.73 C ATOM 661 CG ARG A 42 -7.252 5.575 1.143 1.00 1.04 C ATOM 662 CD ARG A 42 -7.992 6.402 2.197 1.00 1.28 C ATOM 663 NE ARG A 42 -8.805 7.378 1.418 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.603 8.301 2.031 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.897 8.190 3.359 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.102 9.357 1.324 1.00 2.78 N ATOM 0 H ARG A 42 -6.598 2.364 0.541 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.741 4.668 0.389 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.794 3.994 2.537 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.655 5.325 2.572 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.738 6.221 0.432 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.948 4.961 0.571 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.624 5.771 2.822 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.294 6.911 2.861 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.764 7.356 0.399 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.520 7.413 3.902 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.494 8.884 3.809 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.879 9.459 0.334 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.698 10.044 1.786 1.00 2.78 H new ATOM 680 N LEU A 43 -3.211 3.238 1.926 1.00 0.46 N ATOM 681 CA LEU A 43 -2.244 2.440 2.612 1.00 0.42 C ATOM 682 C LEU A 43 -1.921 3.103 3.908 1.00 0.43 C ATOM 683 O LEU A 43 -1.627 4.295 3.995 1.00 0.55 O ATOM 684 CB LEU A 43 -0.987 2.139 1.778 1.00 0.55 C ATOM 685 CG LEU A 43 -1.123 1.241 0.537 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.244 0.900 -0.082 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.947 -0.031 0.798 1.00 1.12 C ATOM 0 H LEU A 43 -2.793 4.093 1.560 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.679 1.458 2.798 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.570 3.092 1.453 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.253 1.679 2.440 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.682 1.830 -0.191 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.099 0.264 -0.956 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.747 1.819 -0.382 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.855 0.375 0.652 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.005 -0.621 -0.117 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.468 -0.620 1.580 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.952 0.246 1.116 1.00 1.12 H new ATOM 699 N ILE A 44 -1.987 2.354 5.022 1.00 0.42 N ATOM 700 CA ILE A 44 -1.845 2.701 6.402 1.00 0.46 C ATOM 701 C ILE A 44 -0.500 2.159 6.745 1.00 0.42 C ATOM 702 O ILE A 44 -0.316 0.955 6.569 1.00 0.53 O ATOM 703 CB ILE A 44 -2.937 2.146 7.267 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.373 2.438 6.802 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.818 2.593 8.733 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.796 3.906 6.853 1.00 1.27 C ATOM 0 H ILE A 44 -2.168 1.354 4.934 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.928 3.774 6.576 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.775 1.072 7.173 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.484 2.081 5.778 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.061 1.858 7.418 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.634 2.162 9.312 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.865 2.255 9.140 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.870 3.680 8.787 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.824 4.001 6.504 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.725 4.270 7.878 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.140 4.496 6.213 1.00 1.27 H new ATOM 718 N PHE A 45 0.442 2.953 7.285 1.00 0.42 N ATOM 719 CA PHE A 45 1.643 2.365 7.789 1.00 0.46 C ATOM 720 C PHE A 45 1.678 2.630 9.255 1.00 0.68 C ATOM 721 O PHE A 45 1.817 3.754 9.735 1.00 1.50 O ATOM 722 CB PHE A 45 2.838 2.985 7.046 1.00 0.56 C ATOM 723 CG PHE A 45 4.120 2.323 7.418 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.314 0.977 7.209 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.095 3.041 8.070 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.435 0.364 7.717 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.202 2.422 8.600 1.00 1.33 C ATOM 728 CZ PHE A 45 6.362 1.064 8.453 1.00 1.02 C ATOM 0 H PHE A 45 0.378 3.967 7.371 1.00 0.42 H new ATOM 0 HA PHE A 45 1.686 1.288 7.628 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.682 2.899 5.971 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.897 4.049 7.276 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.589 0.405 6.649 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.989 4.111 8.167 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.591 -0.689 7.534 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.944 3.000 9.130 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.200 0.557 8.907 1.00 1.02 H new ATOM 738 N ALA A 46 1.511 1.543 10.030 1.00 0.81 N ATOM 739 CA ALA A 46 1.553 1.512 11.459 1.00 0.96 C ATOM 740 C ALA A 46 0.302 2.195 11.892 1.00 0.97 C ATOM 741 O ALA A 46 -0.721 1.511 11.888 1.00 1.21 O ATOM 742 CB ALA A 46 2.899 2.042 11.982 1.00 1.20 C ATOM 0 H ALA A 46 1.334 0.622 9.629 1.00 0.81 H new ATOM 0 HA ALA A 46 1.546 0.517 11.904 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.905 2.008 13.071 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.709 1.423 11.595 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.038 3.071 11.651 1.00 1.20 H new ATOM 748 N GLY A 47 0.396 3.470 12.309 1.00 0.99 N ATOM 749 CA GLY A 47 -0.767 4.178 12.746 1.00 1.10 C ATOM 750 C GLY A 47 -1.080 5.384 11.929 1.00 1.03 C ATOM 751 O GLY A 47 -1.986 6.122 12.313 1.00 1.30 O ATOM 0 H GLY A 47 1.264 4.005 12.344 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.622 3.503 12.722 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.628 4.480 13.784 1.00 1.10 H new ATOM 755 N LYS A 48 -0.307 5.648 10.861 1.00 0.98 N ATOM 756 CA LYS A 48 -0.525 6.794 10.034 1.00 1.05 C ATOM 757 C LYS A 48 -0.916 6.347 8.667 1.00 0.84 C ATOM 758 O LYS A 48 -0.743 5.200 8.258 1.00 0.81 O ATOM 759 CB LYS A 48 0.708 7.700 9.872 1.00 1.42 C ATOM 760 CG LYS A 48 1.207 8.413 11.131 1.00 1.61 C ATOM 761 CD LYS A 48 2.409 9.289 10.771 1.00 1.87 C ATOM 762 CE LYS A 48 2.890 10.159 11.934 1.00 2.22 C ATOM 763 NZ LYS A 48 4.143 10.856 11.563 1.00 2.55 N ATOM 0 H LYS A 48 0.475 5.063 10.568 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.303 7.371 10.534 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.525 7.096 9.477 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.478 8.456 9.121 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.411 9.024 11.557 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.488 7.683 11.890 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.229 8.652 10.439 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.144 9.931 9.931 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.123 10.888 12.195 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.056 9.541 12.816 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.462 11.444 12.359 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.876 10.154 11.336 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.972 11.459 10.733 1.00 2.55 H new ATOM 777 N GLN A 49 -1.601 7.246 7.938 1.00 0.84 N ATOM 778 CA GLN A 49 -2.050 6.998 6.603 1.00 0.80 C ATOM 779 C GLN A 49 -0.961 7.557 5.753 1.00 0.72 C ATOM 780 O GLN A 49 -0.369 8.614 5.964 1.00 0.83 O ATOM 781 CB GLN A 49 -3.379 7.743 6.396 1.00 1.03 C ATOM 782 CG GLN A 49 -3.909 7.624 4.965 1.00 1.67 C ATOM 783 CD GLN A 49 -4.965 8.554 4.386 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.811 9.175 3.335 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.044 8.734 5.193 1.00 2.48 N ATOM 0 H GLN A 49 -1.850 8.172 8.287 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.233 5.949 6.371 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.123 7.349 7.088 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.242 8.796 6.641 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.042 7.696 4.308 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.302 6.612 4.865 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.131 8.197 6.056 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.767 9.406 4.936 1.00 2.48 H new ATOM 794 N LEU A 50 -0.685 6.901 4.611 1.00 0.69 N ATOM 795 CA LEU A 50 0.402 7.291 3.767 1.00 0.66 C ATOM 796 C LEU A 50 -0.097 8.156 2.661 1.00 0.72 C ATOM 797 O LEU A 50 -1.047 7.768 1.983 1.00 0.90 O ATOM 798 CB LEU A 50 1.088 6.057 3.155 1.00 0.65 C ATOM 799 CG LEU A 50 1.835 5.233 4.217 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.649 4.198 3.422 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.665 6.061 5.212 1.00 0.74 C ATOM 0 H LEU A 50 -1.216 6.099 4.272 1.00 0.69 H new ATOM 0 HA LEU A 50 1.121 7.838 4.376 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.341 5.430 2.668 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.789 6.376 2.383 1.00 0.65 H new ATOM 0 HG LEU A 50 1.131 4.748 4.893 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.212 3.570 4.112 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.973 3.577 2.835 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.340 4.713 2.755 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.154 5.394 5.921 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.420 6.631 4.670 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.010 6.746 5.751 1.00 0.74 H new ATOM 813 N GLU A 51 0.629 9.217 2.267 1.00 0.70 N ATOM 814 CA GLU A 51 0.277 9.993 1.119 1.00 0.76 C ATOM 815 C GLU A 51 0.687 9.359 -0.166 1.00 0.77 C ATOM 816 O GLU A 51 1.704 8.671 -0.219 1.00 1.23 O ATOM 817 CB GLU A 51 0.722 11.460 1.247 1.00 0.88 C ATOM 818 CG GLU A 51 0.468 12.254 2.530 1.00 1.35 C ATOM 819 CD GLU A 51 0.924 13.702 2.639 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.089 13.940 2.220 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.180 14.587 3.140 1.00 1.94 O ATOM 0 H GLU A 51 1.468 9.540 2.749 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.812 10.013 1.087 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.796 11.484 1.065 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.248 12.009 0.433 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.607 12.239 2.711 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.937 11.706 3.347 1.00 1.35 H new ATOM 828 N ASP A 52 -0.095 9.612 -1.232 1.00 0.66 N ATOM 829 CA ASP A 52 0.108 8.952 -2.483 1.00 0.65 C ATOM 830 C ASP A 52 1.250 9.453 -3.299 1.00 0.60 C ATOM 831 O ASP A 52 1.946 8.709 -3.989 1.00 0.62 O ATOM 832 CB ASP A 52 -1.179 8.986 -3.327 1.00 0.81 C ATOM 833 CG ASP A 52 -2.290 8.407 -2.462 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.282 7.289 -1.882 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.194 9.248 -2.208 1.00 1.56 O ATOM 0 H ASP A 52 -0.870 10.276 -1.226 1.00 0.66 H new ATOM 0 HA ASP A 52 0.372 7.931 -2.209 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.416 10.006 -3.629 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.057 8.404 -4.240 1.00 0.81 H new ATOM 840 N GLY A 53 1.495 10.775 -3.291 1.00 0.68 N ATOM 841 CA GLY A 53 2.545 11.439 -3.999 1.00 0.73 C ATOM 842 C GLY A 53 3.721 11.540 -3.090 1.00 0.72 C ATOM 843 O GLY A 53 4.301 12.625 -3.056 1.00 0.97 O ATOM 0 H GLY A 53 0.920 11.423 -2.753 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.807 10.885 -4.900 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.223 12.431 -4.317 1.00 0.73 H new ATOM 847 N ARG A 54 4.121 10.494 -2.346 1.00 0.64 N ATOM 848 CA ARG A 54 5.368 10.451 -1.646 1.00 0.63 C ATOM 849 C ARG A 54 6.037 9.189 -2.072 1.00 0.59 C ATOM 850 O ARG A 54 5.398 8.267 -2.576 1.00 0.62 O ATOM 851 CB ARG A 54 5.095 10.375 -0.135 1.00 0.69 C ATOM 852 CG ARG A 54 4.364 11.619 0.375 1.00 0.82 C ATOM 853 CD ARG A 54 5.201 12.887 0.552 1.00 1.18 C ATOM 854 NE ARG A 54 4.467 13.876 1.391 1.00 1.50 N ATOM 855 CZ ARG A 54 4.948 15.138 1.587 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.253 15.535 1.522 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.001 16.082 1.863 1.00 2.49 N ATOM 0 H ARG A 54 3.559 9.651 -2.227 1.00 0.64 H new ATOM 0 HA ARG A 54 5.977 11.330 -1.857 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.499 9.489 0.082 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.038 10.263 0.399 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.551 11.842 -0.316 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.909 11.376 1.335 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.154 12.640 1.019 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.426 13.322 -0.422 1.00 1.18 H new ATOM 0 HE ARG A 54 3.586 13.604 1.828 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.983 14.855 1.308 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.498 16.511 1.688 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.017 15.819 1.910 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.278 17.051 2.023 1.00 2.49 H new ATOM 871 N THR A 55 7.366 9.075 -1.904 1.00 0.63 N ATOM 872 CA THR A 55 8.004 7.808 -2.088 1.00 0.61 C ATOM 873 C THR A 55 7.943 6.956 -0.867 1.00 0.59 C ATOM 874 O THR A 55 7.589 7.310 0.256 1.00 0.64 O ATOM 875 CB THR A 55 9.407 7.909 -2.611 1.00 0.68 C ATOM 876 OG1 THR A 55 10.360 8.492 -1.735 1.00 0.75 O ATOM 877 CG2 THR A 55 9.289 8.831 -3.836 1.00 0.76 C ATOM 0 H THR A 55 7.988 9.841 -1.646 1.00 0.63 H new ATOM 0 HA THR A 55 7.423 7.313 -2.866 1.00 0.61 H new ATOM 0 HB THR A 55 9.772 6.898 -2.792 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.084 9.405 -1.512 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.272 8.964 -4.287 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.613 8.383 -4.564 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.898 9.800 -3.526 1.00 0.76 H new ATOM 885 N LEU A 56 8.440 5.712 -0.985 1.00 0.58 N ATOM 886 CA LEU A 56 8.653 4.772 0.071 1.00 0.59 C ATOM 887 C LEU A 56 9.802 5.204 0.916 1.00 0.64 C ATOM 888 O LEU A 56 9.633 5.231 2.134 1.00 0.70 O ATOM 889 CB LEU A 56 8.870 3.316 -0.374 1.00 0.60 C ATOM 890 CG LEU A 56 7.613 2.538 -0.800 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.985 1.413 -1.780 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.918 2.126 0.508 1.00 1.03 C ATOM 0 H LEU A 56 8.714 5.335 -1.892 1.00 0.58 H new ATOM 0 HA LEU A 56 7.720 4.771 0.635 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.572 3.314 -1.208 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.346 2.776 0.444 1.00 0.60 H new ATOM 0 HG LEU A 56 6.897 3.121 -1.379 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.085 0.872 -2.072 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.454 1.842 -2.666 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.681 0.726 -1.298 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.012 1.566 0.278 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.591 1.502 1.096 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.658 3.018 1.079 1.00 1.03 H new ATOM 904 N SER A 57 10.923 5.688 0.353 1.00 0.68 N ATOM 905 CA SER A 57 12.055 6.293 0.985 1.00 0.75 C ATOM 906 C SER A 57 11.734 7.528 1.755 1.00 0.76 C ATOM 907 O SER A 57 12.364 7.651 2.804 1.00 0.84 O ATOM 908 CB SER A 57 13.068 6.659 -0.112 1.00 0.84 C ATOM 909 OG SER A 57 13.848 5.522 -0.456 1.00 1.19 O ATOM 0 H SER A 57 11.047 5.650 -0.659 1.00 0.68 H new ATOM 0 HA SER A 57 12.445 5.570 1.702 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.544 7.030 -0.993 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.717 7.463 0.235 1.00 0.84 H new ATOM 0 HG SER A 57 14.489 5.765 -1.157 1.00 1.19 H new ATOM 915 N ASP A 58 10.833 8.406 1.276 1.00 0.75 N ATOM 916 CA ASP A 58 10.377 9.499 2.078 1.00 0.78 C ATOM 917 C ASP A 58 9.845 9.221 3.441 1.00 0.77 C ATOM 918 O ASP A 58 10.115 10.029 4.329 1.00 0.86 O ATOM 919 CB ASP A 58 9.265 10.268 1.347 1.00 0.83 C ATOM 920 CG ASP A 58 9.839 11.084 0.198 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.776 11.900 0.410 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.386 10.894 -0.962 1.00 1.90 O ATOM 0 H ASP A 58 10.424 8.360 0.343 1.00 0.75 H new ATOM 0 HA ASP A 58 11.307 10.049 2.226 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.522 9.567 0.966 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.752 10.928 2.047 1.00 0.83 H new ATOM 927 N TYR A 59 9.131 8.091 3.594 1.00 0.72 N ATOM 928 CA TYR A 59 8.669 7.750 4.904 1.00 0.73 C ATOM 929 C TYR A 59 9.574 6.900 5.728 1.00 0.76 C ATOM 930 O TYR A 59 9.270 6.625 6.888 1.00 0.89 O ATOM 931 CB TYR A 59 7.333 6.991 4.833 1.00 0.73 C ATOM 932 CG TYR A 59 6.193 7.895 4.515 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.796 8.844 5.429 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.511 7.780 3.326 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.831 9.760 5.084 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.475 8.624 3.004 1.00 0.70 C ATOM 937 CZ TYR A 59 4.157 9.624 3.893 1.00 0.74 C ATOM 938 OH TYR A 59 2.998 10.406 3.705 1.00 0.86 O ATOM 0 H TYR A 59 8.882 7.440 2.849 1.00 0.72 H new ATOM 0 HA TYR A 59 8.596 8.724 5.387 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.399 6.211 4.075 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.147 6.495 5.785 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.241 8.869 6.413 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.797 7.007 2.628 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.603 10.583 5.745 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.927 8.505 2.081 1.00 0.70 H new ATOM 0 HH TYR A 59 3.255 11.315 3.446 1.00 0.86 H new ATOM 948 N ASN A 60 10.764 6.589 5.184 1.00 0.74 N ATOM 949 CA ASN A 60 11.758 5.702 5.702 1.00 0.79 C ATOM 950 C ASN A 60 11.332 4.276 5.793 1.00 0.75 C ATOM 951 O ASN A 60 11.841 3.452 6.551 1.00 0.86 O ATOM 952 CB ASN A 60 12.410 6.257 6.979 1.00 0.95 C ATOM 953 CG ASN A 60 13.104 7.579 6.680 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.168 7.558 6.063 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.475 8.748 6.974 1.00 1.83 N ATOM 0 H ASN A 60 11.055 6.999 4.297 1.00 0.74 H new ATOM 0 HA ASN A 60 12.548 5.666 4.952 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.653 6.401 7.750 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.131 5.539 7.370 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.885 9.635 6.682 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.593 8.738 7.487 1.00 1.83 H new ATOM 962 N ILE A 61 10.391 3.867 4.925 1.00 0.67 N ATOM 963 CA ILE A 61 9.850 2.550 4.788 1.00 0.65 C ATOM 964 C ILE A 61 10.909 1.669 4.219 1.00 0.66 C ATOM 965 O ILE A 61 11.724 2.071 3.391 1.00 0.75 O ATOM 966 CB ILE A 61 8.513 2.452 4.115 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.470 3.209 4.952 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.088 1.025 3.729 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.072 3.221 4.336 1.00 0.82 C ATOM 0 H ILE A 61 9.972 4.517 4.260 1.00 0.67 H new ATOM 0 HA ILE A 61 9.583 2.192 5.782 1.00 0.65 H new ATOM 0 HB ILE A 61 8.596 2.937 3.142 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.416 2.757 5.942 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.805 4.237 5.089 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.110 1.054 3.249 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.818 0.602 3.039 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.034 0.406 4.625 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.393 3.774 4.985 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.110 3.700 3.358 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.715 2.197 4.225 1.00 0.82 H new ATOM 981 N GLN A 62 11.011 0.414 4.693 1.00 0.67 N ATOM 982 CA GLN A 62 12.045 -0.504 4.327 1.00 0.70 C ATOM 983 C GLN A 62 11.517 -1.636 3.513 1.00 0.62 C ATOM 984 O GLN A 62 10.314 -1.865 3.401 1.00 0.64 O ATOM 985 CB GLN A 62 12.764 -1.108 5.546 1.00 0.85 C ATOM 986 CG GLN A 62 13.410 -0.064 6.457 1.00 1.27 C ATOM 987 CD GLN A 62 14.430 0.821 5.753 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.527 0.416 5.373 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.103 2.126 5.552 1.00 2.16 N ATOM 0 H GLN A 62 10.345 0.023 5.359 1.00 0.67 H new ATOM 0 HA GLN A 62 12.752 0.087 3.745 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.049 -1.691 6.126 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.532 -1.799 5.198 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.629 0.566 6.883 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.897 -0.573 7.289 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.197 2.478 5.861 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.764 2.752 5.092 1.00 2.16 H new ATOM 998 N LYS A 63 12.423 -2.509 3.039 1.00 0.64 N ATOM 999 CA LYS A 63 12.055 -3.781 2.499 1.00 0.62 C ATOM 1000 C LYS A 63 11.430 -4.657 3.529 1.00 0.59 C ATOM 1001 O LYS A 63 11.848 -4.648 4.686 1.00 0.66 O ATOM 1002 CB LYS A 63 13.308 -4.448 1.906 1.00 0.74 C ATOM 1003 CG LYS A 63 14.415 -4.840 2.886 1.00 0.89 C ATOM 1004 CD LYS A 63 15.706 -5.420 2.304 1.00 1.11 C ATOM 1005 CE LYS A 63 16.769 -5.870 3.307 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.017 -6.250 2.607 1.00 2.12 N ATOM 0 H LYS A 63 13.427 -2.329 3.030 1.00 0.64 H new ATOM 0 HA LYS A 63 11.310 -3.630 1.718 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.994 -5.345 1.373 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.735 -3.771 1.166 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.677 -3.956 3.468 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.003 -5.570 3.583 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.444 -6.274 1.679 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.151 -4.671 1.649 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.973 -5.066 4.015 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.397 -6.716 3.884 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.727 -6.553 3.304 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.822 -7.032 1.949 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.380 -5.433 2.076 1.00 2.12 H new ATOM 1020 N GLU A 64 10.487 -5.548 3.174 1.00 0.57 N ATOM 1021 CA GLU A 64 9.959 -6.592 3.996 1.00 0.58 C ATOM 1022 C GLU A 64 8.975 -6.110 5.006 1.00 0.56 C ATOM 1023 O GLU A 64 8.671 -6.803 5.976 1.00 0.70 O ATOM 1024 CB GLU A 64 10.944 -7.607 4.602 1.00 0.72 C ATOM 1025 CG GLU A 64 11.972 -8.114 3.589 1.00 0.96 C ATOM 1026 CD GLU A 64 12.982 -8.980 4.327 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.281 -8.756 5.531 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.418 -9.997 3.722 1.00 1.71 O ATOM 0 H GLU A 64 10.064 -5.537 2.246 1.00 0.57 H new ATOM 0 HA GLU A 64 9.433 -7.185 3.248 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.465 -7.145 5.441 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.386 -8.454 5.001 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.480 -8.689 2.804 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.473 -7.276 3.104 1.00 0.96 H new ATOM 1035 N SER A 65 8.379 -4.929 4.765 1.00 0.51 N ATOM 1036 CA SER A 65 7.500 -4.158 5.589 1.00 0.51 C ATOM 1037 C SER A 65 6.061 -4.397 5.286 1.00 0.43 C ATOM 1038 O SER A 65 5.676 -4.550 4.128 1.00 0.50 O ATOM 1039 CB SER A 65 7.819 -2.655 5.661 1.00 0.65 C ATOM 1040 OG SER A 65 7.522 -2.042 6.907 1.00 1.04 O ATOM 0 H SER A 65 8.537 -4.457 3.875 1.00 0.51 H new ATOM 0 HA SER A 65 7.697 -4.538 6.591 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.878 -2.512 5.445 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.262 -2.142 4.878 1.00 0.65 H new ATOM 0 HG SER A 65 7.285 -1.102 6.761 1.00 1.04 H new ATOM 1046 N THR A 66 5.191 -4.452 6.310 1.00 0.45 N ATOM 1047 CA THR A 66 3.781 -4.689 6.279 1.00 0.45 C ATOM 1048 C THR A 66 3.011 -3.421 6.139 1.00 0.43 C ATOM 1049 O THR A 66 3.064 -2.584 7.039 1.00 0.58 O ATOM 1050 CB THR A 66 3.174 -5.479 7.401 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.884 -6.706 7.492 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.710 -5.770 7.034 1.00 0.78 C ATOM 0 H THR A 66 5.516 -4.314 7.267 1.00 0.45 H new ATOM 0 HA THR A 66 3.697 -5.327 5.399 1.00 0.45 H new ATOM 0 HB THR A 66 3.223 -4.939 8.347 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.511 -7.246 8.220 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.242 -6.345 7.833 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.174 -4.830 6.901 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.674 -6.342 6.107 1.00 0.78 H new ATOM 1060 N LEU A 67 2.265 -3.134 5.057 1.00 0.38 N ATOM 1061 CA LEU A 67 1.459 -1.954 4.997 1.00 0.38 C ATOM 1062 C LEU A 67 0.055 -2.453 4.976 1.00 0.37 C ATOM 1063 O LEU A 67 -0.155 -3.611 4.621 1.00 0.50 O ATOM 1064 CB LEU A 67 1.743 -1.174 3.702 1.00 0.46 C ATOM 1065 CG LEU A 67 3.061 -0.399 3.539 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.387 -1.165 3.674 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.101 0.292 2.166 1.00 1.31 C ATOM 0 H LEU A 67 2.220 -3.720 4.223 1.00 0.38 H new ATOM 0 HA LEU A 67 1.658 -1.284 5.833 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.681 -1.884 2.877 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.930 -0.460 3.570 1.00 0.46 H new ATOM 0 HG LEU A 67 3.023 0.277 4.393 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.221 -0.477 3.533 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.450 -1.612 4.666 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.432 -1.950 2.919 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.038 0.838 2.061 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.028 -0.458 1.379 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.265 0.987 2.084 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.891 -1.648 5.490 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.233 -2.081 5.728 1.00 0.37 C ATOM 1081 C HIS A 68 -3.149 -1.465 4.726 1.00 0.35 C ATOM 1082 O HIS A 68 -3.294 -0.251 4.595 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.697 -1.907 7.184 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.922 -2.760 8.145 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.650 -2.396 8.538 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.216 -3.945 8.742 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.181 -3.439 9.274 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.095 -4.380 9.420 1.00 1.51 N ATOM 0 H HIS A 68 -0.720 -0.675 5.746 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.262 -3.161 5.587 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.596 -0.860 7.471 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.756 -2.156 7.256 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.165 -4.459 8.694 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.815 -3.491 9.688 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.993 -5.256 9.933 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.909 -2.279 3.974 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.822 -1.916 2.934 1.00 0.38 C ATOM 1098 C LEU A 69 -6.213 -1.695 3.422 1.00 0.41 C ATOM 1099 O LEU A 69 -6.908 -2.655 3.749 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.995 -2.901 1.766 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.036 -2.433 0.735 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.662 -1.218 -0.132 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.282 -3.593 -0.244 1.00 1.14 C ATOM 0 H LEU A 69 -3.880 -3.290 4.108 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.328 -1.012 2.577 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.035 -3.038 1.268 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.292 -3.873 2.159 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.895 -2.129 1.334 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.481 -0.993 -0.815 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.477 -0.356 0.509 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.763 -1.443 -0.705 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.018 -3.290 -0.989 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.348 -3.854 -0.742 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.655 -4.458 0.304 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.653 -0.424 3.393 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.960 0.038 3.741 1.00 0.56 C ATOM 1117 C VAL A 70 -8.499 0.300 2.376 1.00 0.55 C ATOM 1118 O VAL A 70 -7.912 0.951 1.513 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.116 1.280 4.567 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.587 1.590 4.897 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.247 1.046 5.813 1.00 0.97 C ATOM 0 H VAL A 70 -6.044 0.341 3.102 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.441 -0.691 4.393 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.789 2.168 4.026 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.642 2.499 5.496 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.145 1.731 3.972 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.017 0.760 5.457 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.309 1.915 6.469 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.603 0.164 6.345 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.211 0.893 5.511 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.693 -0.276 2.155 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.445 -0.126 0.947 1.00 0.84 C ATOM 1133 C LEU A 71 -11.480 0.928 1.138 1.00 0.85 C ATOM 1134 O LEU A 71 -12.319 0.837 2.033 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.026 -1.465 0.463 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.849 -1.437 -0.837 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.036 -1.339 -2.138 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.680 -2.731 -0.832 1.00 2.78 C ATOM 0 H LEU A 71 -10.154 -0.870 2.844 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.780 0.200 0.147 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.201 -2.164 0.327 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.657 -1.867 1.255 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.448 -0.526 -0.839 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.715 -1.327 -2.991 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.446 -0.422 -2.130 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.370 -2.198 -2.217 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.291 -2.774 -1.733 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.012 -3.592 -0.805 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.326 -2.745 0.046 1.00 2.78 H new