USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -111:sc= 1.8 (180deg=-0.0393) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.597 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0235) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.3 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0.212 X(o=0.21,f=-0.0073) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.257 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= 1.18 K(o=1.2,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 0.808 (180deg=0.176) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.536 K(o=0.54,f=-3.1!) 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=-0.003) USER MOD Single : A 55 THR OG1 : rot -78:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0421 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.059) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.204 K(o=0.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.827 -7.397 -4.507 1.00 9.67 N ATOM 2 CA MET A 1 11.790 -7.717 -3.065 1.00 10.38 C ATOM 3 C MET A 1 10.341 -8.051 -2.607 1.00 9.62 C ATOM 4 O MET A 1 9.324 -7.646 -3.114 1.00 9.62 O ATOM 5 CB MET A 1 12.466 -6.559 -2.252 1.00 13.77 C ATOM 6 CG MET A 1 11.633 -5.328 -2.135 1.00 16.29 C ATOM 7 SD MET A 1 12.593 -4.031 -1.411 1.00 17.17 S ATOM 8 CE MET A 1 11.187 -2.869 -1.384 1.00 16.11 C ATOM 0 H1 MET A 1 12.813 -7.261 -4.807 1.00 9.67 H new ATOM 0 H2 MET A 1 11.406 -8.179 -5.047 1.00 9.67 H new ATOM 0 H3 MET A 1 11.288 -6.525 -4.683 1.00 9.67 H new ATOM 0 HA MET A 1 12.369 -8.619 -2.866 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.701 -6.922 -1.251 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.412 -6.300 -2.728 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.275 -5.024 -3.119 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.753 -5.528 -1.523 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.525 -1.897 -1.025 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.783 -2.763 -2.391 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.412 -3.251 -0.720 1.00 16.11 H new ATOM 20 N GLN A 2 10.219 -8.942 -1.663 1.00 9.27 N ATOM 21 CA GLN A 2 8.887 -9.340 -1.089 1.00 9.07 C ATOM 22 C GLN A 2 8.386 -8.331 -0.037 1.00 8.72 C ATOM 23 O GLN A 2 9.109 -8.007 0.929 1.00 8.22 O ATOM 24 CB GLN A 2 9.003 -10.750 -0.419 1.00 14.46 C ATOM 25 CG GLN A 2 7.754 -11.645 -0.698 1.00 17.01 C ATOM 26 CD GLN A 2 7.782 -12.154 -2.137 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.386 -13.185 -2.330 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.199 -11.513 -3.158 1.00 19.49 N ATOM 0 H GLN A 2 11.011 -9.431 -1.247 1.00 9.27 H new ATOM 0 HA GLN A 2 8.171 -9.361 -1.911 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.897 -11.253 -0.788 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.127 -10.629 0.657 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.739 -12.488 -0.007 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.842 -11.074 -0.524 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.691 -10.644 -2.991 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.263 -11.893 -4.102 1.00 19.49 H new ATOM 37 N ILE A 3 7.087 -7.947 -0.075 1.00 5.87 N ATOM 38 CA ILE A 3 6.418 -7.189 1.032 1.00 5.07 C ATOM 39 C ILE A 3 5.068 -7.769 1.445 1.00 4.01 C ATOM 40 O ILE A 3 4.540 -8.554 0.660 1.00 4.61 O ATOM 41 CB ILE A 3 6.281 -5.650 0.911 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.326 -5.102 -0.091 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.764 -5.158 0.763 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.337 -3.546 -0.124 1.00 10.83 C ATOM 0 H ILE A 3 6.471 -8.147 -0.863 1.00 5.87 H new ATOM 0 HA ILE A 3 7.167 -7.342 1.809 1.00 5.07 H new ATOM 0 HB ILE A 3 5.780 -5.251 1.793 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.579 -5.486 -1.079 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.320 -5.452 0.140 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.779 -4.072 0.670 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.335 -5.455 1.643 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.209 -5.605 -0.126 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.625 -3.193 -0.870 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.058 -3.159 0.856 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.336 -3.195 -0.382 1.00 10.83 H new ATOM 56 N PHE A 4 4.559 -7.418 2.637 1.00 4.55 N ATOM 57 CA PHE A 4 3.338 -8.031 3.092 1.00 4.68 C ATOM 58 C PHE A 4 2.315 -6.995 3.510 1.00 5.30 C ATOM 59 O PHE A 4 2.502 -6.179 4.428 1.00 5.58 O ATOM 60 CB PHE A 4 3.746 -8.788 4.392 1.00 4.83 C ATOM 61 CG PHE A 4 4.733 -9.931 4.059 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.275 -11.177 3.578 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.116 -9.776 4.144 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.182 -12.151 3.199 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.053 -10.705 3.757 1.00 10.61 C ATOM 66 CZ PHE A 4 6.572 -11.908 3.231 1.00 8.90 C ATOM 0 H PHE A 4 4.970 -6.734 3.272 1.00 4.55 H new ATOM 0 HA PHE A 4 2.907 -8.650 2.305 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.206 -8.094 5.096 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.859 -9.194 4.878 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.215 -11.370 3.506 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.483 -8.845 4.549 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.820 -13.115 2.873 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.112 -10.514 3.855 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.261 -12.648 2.851 1.00 8.90 H new ATOM 76 N VAL A 5 1.196 -6.898 2.781 1.00 4.44 N ATOM 77 CA VAL A 5 0.106 -5.948 2.917 1.00 3.87 C ATOM 78 C VAL A 5 -0.810 -6.651 3.846 1.00 4.93 C ATOM 79 O VAL A 5 -1.071 -7.856 3.769 1.00 6.84 O ATOM 80 CB VAL A 5 -0.608 -5.611 1.612 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.975 -4.977 1.707 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.289 -4.630 0.895 1.00 9.13 C ATOM 0 H VAL A 5 1.024 -7.546 2.013 1.00 4.44 H new ATOM 0 HA VAL A 5 0.465 -4.978 3.262 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.784 -6.564 1.113 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.361 -4.793 0.704 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.651 -5.647 2.239 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.901 -4.033 2.246 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.167 -4.346 -0.054 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.424 -3.742 1.513 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.258 -5.093 0.708 1.00 9.13 H new ATOM 92 N LYS A 6 -1.265 -5.917 4.881 1.00 6.04 N ATOM 93 CA LYS A 6 -2.100 -6.347 5.951 1.00 6.12 C ATOM 94 C LYS A 6 -3.332 -5.483 6.011 1.00 6.57 C ATOM 95 O LYS A 6 -3.352 -4.242 6.004 1.00 5.76 O ATOM 96 CB LYS A 6 -1.267 -6.309 7.257 1.00 7.45 C ATOM 97 CG LYS A 6 -1.919 -7.121 8.334 1.00 11.12 C ATOM 98 CD LYS A 6 -1.718 -8.632 8.241 1.00 14.54 C ATOM 99 CE LYS A 6 -2.408 -9.439 9.362 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.256 -10.809 8.920 1.00 20.55 N ATOM 0 H LYS A 6 -1.021 -4.931 4.970 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.447 -7.369 5.802 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.265 -6.692 7.064 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.155 -5.278 7.591 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.540 -6.782 9.298 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.989 -6.914 8.321 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.094 -8.977 7.278 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.649 -8.846 8.262 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.934 -9.272 10.329 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.457 -9.164 9.470 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.185 -11.192 8.652 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.618 -10.840 8.099 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.855 -11.380 9.691 1.00 20.55 H new ATOM 114 N THR A 7 -4.542 -6.087 5.908 1.00 7.41 N ATOM 115 CA THR A 7 -5.792 -5.246 5.784 1.00 7.48 C ATOM 116 C THR A 7 -6.695 -5.524 6.966 1.00 8.75 C ATOM 117 O THR A 7 -6.352 -6.321 7.847 1.00 8.58 O ATOM 118 CB THR A 7 -6.463 -5.513 4.452 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.496 -4.624 4.203 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.890 -6.958 4.348 1.00 9.17 C ATOM 0 H THR A 7 -4.693 -7.096 5.906 1.00 7.41 H new ATOM 0 HA THR A 7 -5.546 -4.184 5.802 1.00 7.48 H new ATOM 0 HB THR A 7 -5.731 -5.339 3.663 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.901 -4.828 3.335 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.369 -7.127 3.384 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.016 -7.603 4.437 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.593 -7.188 5.148 1.00 9.17 H new ATOM 128 N LEU A 8 -7.788 -4.829 7.092 1.00 9.84 N ATOM 129 CA LEU A 8 -8.563 -4.721 8.326 1.00 14.15 C ATOM 130 C LEU A 8 -9.177 -5.900 8.938 1.00 17.37 C ATOM 131 O LEU A 8 -9.456 -6.000 10.130 1.00 17.01 O ATOM 132 CB LEU A 8 -9.604 -3.570 8.186 1.00 16.63 C ATOM 133 CG LEU A 8 -8.917 -2.220 7.923 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.928 -1.110 7.438 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.242 -1.705 9.198 1.00 18.59 C ATOM 0 H LEU A 8 -8.191 -4.298 6.320 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.777 -4.522 9.054 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.290 -3.796 7.370 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.201 -3.505 9.096 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.185 -2.403 7.136 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.390 -0.178 7.267 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.403 -1.430 6.510 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.691 -0.954 8.201 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.761 -0.749 8.994 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.991 -1.575 9.979 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.493 -2.425 9.529 1.00 18.59 H new ATOM 147 N THR A 9 -9.352 -6.934 8.082 1.00 18.33 N ATOM 148 CA THR A 9 -10.020 -8.246 8.381 1.00 19.24 C ATOM 149 C THR A 9 -8.940 -9.314 8.657 1.00 19.48 C ATOM 150 O THR A 9 -9.201 -10.495 8.961 1.00 23.14 O ATOM 151 CB THR A 9 -10.768 -8.752 7.178 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.982 -8.609 6.024 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.037 -7.826 7.096 1.00 19.70 C ATOM 0 H THR A 9 -9.021 -6.886 7.118 1.00 18.33 H new ATOM 0 HA THR A 9 -10.688 -8.086 9.227 1.00 19.24 H new ATOM 0 HB THR A 9 -11.026 -9.808 7.255 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.478 -8.943 5.247 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.648 -8.121 6.243 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.620 -7.925 8.012 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.724 -6.789 6.976 1.00 19.70 H new ATOM 161 N GLY A 10 -7.662 -8.911 8.631 1.00 19.43 N ATOM 162 CA GLY A 10 -6.496 -9.687 9.001 1.00 18.74 C ATOM 163 C GLY A 10 -5.899 -10.531 7.883 1.00 17.62 C ATOM 164 O GLY A 10 -4.903 -11.221 8.084 1.00 19.74 O ATOM 0 H GLY A 10 -7.411 -7.970 8.329 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.729 -9.007 9.371 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.764 -10.345 9.828 1.00 18.74 H new ATOM 168 N LYS A 11 -6.378 -10.439 6.612 1.00 13.56 N ATOM 169 CA LYS A 11 -5.685 -11.125 5.530 1.00 11.91 C ATOM 170 C LYS A 11 -4.289 -10.507 5.254 1.00 10.18 C ATOM 171 O LYS A 11 -4.064 -9.259 5.148 1.00 9.10 O ATOM 172 CB LYS A 11 -6.529 -11.006 4.209 1.00 13.43 C ATOM 173 CG LYS A 11 -7.966 -11.462 4.404 1.00 16.69 C ATOM 174 CD LYS A 11 -8.780 -11.362 3.134 1.00 17.92 C ATOM 175 CE LYS A 11 -8.152 -12.072 1.863 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.064 -11.798 0.713 1.00 21.93 N ATOM 0 H LYS A 11 -7.208 -9.915 6.336 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.561 -12.165 5.833 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.521 -9.971 3.867 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.063 -11.604 3.426 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.972 -12.494 4.756 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.434 -10.857 5.181 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.764 -11.792 3.319 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.931 -10.308 2.902 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.152 -11.688 1.662 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.054 -13.145 2.030 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.695 -12.263 -0.141 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.012 -12.168 0.926 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.121 -10.772 0.552 1.00 21.93 H new ATOM 190 N THR A 12 -3.325 -11.423 4.962 1.00 9.63 N ATOM 191 CA THR A 12 -1.931 -11.044 4.628 1.00 9.85 C ATOM 192 C THR A 12 -1.887 -11.196 3.093 1.00 11.66 C ATOM 193 O THR A 12 -1.809 -12.367 2.616 1.00 12.33 O ATOM 194 CB THR A 12 -0.807 -11.905 5.183 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.803 -11.752 6.581 1.00 10.91 O ATOM 196 CG2 THR A 12 0.641 -11.487 4.685 1.00 9.63 C ATOM 0 H THR A 12 -3.492 -12.429 4.952 1.00 9.63 H new ATOM 0 HA THR A 12 -1.747 -10.061 5.060 1.00 9.85 H new ATOM 0 HB THR A 12 -0.998 -12.922 4.841 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.087 -12.299 6.968 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.384 -12.151 5.127 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.688 -11.562 3.599 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.847 -10.460 4.987 1.00 9.63 H new ATOM 204 N ILE A 13 -1.876 -10.081 2.350 1.00 10.42 N ATOM 205 CA ILE A 13 -1.624 -10.036 0.956 1.00 11.84 C ATOM 206 C ILE A 13 -0.091 -9.911 0.845 1.00 10.55 C ATOM 207 O ILE A 13 0.570 -9.081 1.414 1.00 11.92 O ATOM 208 CB ILE A 13 -2.427 -8.879 0.193 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.923 -9.004 0.237 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.983 -8.885 -1.296 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.583 -8.702 1.579 1.00 16.46 C ATOM 0 H ILE A 13 -2.054 -9.160 2.750 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.989 -10.931 0.451 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.187 -7.951 0.712 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.345 -8.334 -0.512 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.191 -10.019 -0.056 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.517 -8.104 -1.838 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.910 -8.700 -1.357 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.210 -9.855 -1.739 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.662 -8.825 1.489 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.201 -9.388 2.335 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.358 -7.677 1.873 1.00 16.46 H new ATOM 223 N THR A 14 0.462 -10.783 0.015 1.00 9.39 N ATOM 224 CA THR A 14 1.912 -10.903 -0.252 1.00 9.63 C ATOM 225 C THR A 14 2.302 -10.309 -1.627 1.00 11.20 C ATOM 226 O THR A 14 1.877 -10.755 -2.738 1.00 11.63 O ATOM 227 CB THR A 14 2.578 -12.244 -0.118 1.00 10.38 C ATOM 228 OG1 THR A 14 2.370 -12.775 1.146 1.00 16.30 O ATOM 229 CG2 THR A 14 4.191 -12.131 -0.284 1.00 11.66 C ATOM 0 H THR A 14 -0.093 -11.455 -0.515 1.00 9.39 H new ATOM 0 HA THR A 14 2.299 -10.324 0.587 1.00 9.63 H new ATOM 0 HB THR A 14 2.146 -12.871 -0.898 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.004 -12.376 1.777 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.638 -13.120 -0.181 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.428 -11.726 -1.268 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.591 -11.471 0.486 1.00 11.66 H new ATOM 237 N LEU A 15 3.193 -9.247 -1.665 1.00 8.29 N ATOM 238 CA LEU A 15 3.465 -8.542 -2.864 1.00 9.03 C ATOM 239 C LEU A 15 4.923 -8.733 -3.280 1.00 8.59 C ATOM 240 O LEU A 15 5.833 -8.789 -2.463 1.00 7.79 O ATOM 241 CB LEU A 15 3.106 -7.038 -2.833 1.00 11.08 C ATOM 242 CG LEU A 15 1.569 -6.676 -2.575 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.338 -5.147 -2.493 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.629 -7.389 -3.606 1.00 15.27 C ATOM 0 H LEU A 15 3.705 -8.905 -0.851 1.00 8.29 H new ATOM 0 HA LEU A 15 2.801 -8.981 -3.608 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.704 -6.561 -2.057 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.406 -6.596 -3.783 1.00 11.08 H new ATOM 0 HG LEU A 15 1.298 -7.068 -1.594 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.281 -4.948 -2.317 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.926 -4.734 -1.674 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.644 -4.682 -3.430 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.407 -7.120 -3.400 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.892 -7.075 -4.616 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.747 -8.469 -3.520 1.00 15.27 H new ATOM 256 N GLU A 16 5.080 -8.601 -4.633 1.00 11.04 N ATOM 257 CA GLU A 16 6.394 -8.517 -5.190 1.00 11.50 C ATOM 258 C GLU A 16 6.606 -7.162 -5.810 1.00 10.13 C ATOM 259 O GLU A 16 5.849 -6.746 -6.668 1.00 9.83 O ATOM 260 CB GLU A 16 6.584 -9.524 -6.319 1.00 17.22 C ATOM 261 CG GLU A 16 8.005 -9.510 -6.939 1.00 23.33 C ATOM 262 CD GLU A 16 9.222 -9.979 -6.144 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.400 -11.257 -6.067 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.042 -9.183 -5.709 1.00 28.86 O ATOM 0 H GLU A 16 4.316 -8.555 -5.308 1.00 11.04 H new ATOM 0 HA GLU A 16 7.092 -8.710 -4.375 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.373 -10.524 -5.940 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.854 -9.319 -7.102 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.963 -10.117 -7.843 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.205 -8.485 -7.252 1.00 23.33 H new ATOM 271 N VAL A 17 7.552 -6.403 -5.248 1.00 8.99 N ATOM 272 CA VAL A 17 7.782 -4.987 -5.351 1.00 8.85 C ATOM 273 C VAL A 17 9.164 -4.636 -5.567 1.00 8.04 C ATOM 274 O VAL A 17 10.023 -5.525 -5.464 1.00 8.99 O ATOM 275 CB VAL A 17 7.225 -4.245 -4.073 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.710 -4.432 -3.896 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.863 -4.716 -2.771 1.00 10.54 C ATOM 0 H VAL A 17 8.249 -6.834 -4.641 1.00 8.99 H new ATOM 0 HA VAL A 17 7.241 -4.658 -6.238 1.00 8.85 H new ATOM 0 HB VAL A 17 7.474 -3.200 -4.259 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.380 -3.902 -3.003 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.190 -4.034 -4.767 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.484 -5.493 -3.792 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.433 -4.164 -1.935 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.674 -5.781 -2.638 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.938 -4.540 -2.808 1.00 10.54 H new ATOM 287 N GLU A 18 9.436 -3.360 -5.849 1.00 7.29 N ATOM 288 CA GLU A 18 10.801 -2.835 -6.025 1.00 7.08 C ATOM 289 C GLU A 18 11.033 -1.587 -5.145 1.00 6.45 C ATOM 290 O GLU A 18 10.026 -1.037 -4.667 1.00 5.28 O ATOM 291 CB GLU A 18 11.126 -2.611 -7.537 1.00 10.28 C ATOM 292 CG GLU A 18 10.302 -1.469 -8.139 1.00 12.65 C ATOM 293 CD GLU A 18 10.300 -1.503 -9.601 1.00 14.15 C ATOM 294 OE1 GLU A 18 9.589 -2.373 -10.159 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.018 -0.699 -10.256 1.00 18.17 O ATOM 0 H GLU A 18 8.711 -2.652 -5.964 1.00 7.29 H new ATOM 0 HA GLU A 18 11.514 -3.582 -5.676 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.187 -2.391 -7.651 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.930 -3.530 -8.090 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.277 -1.531 -7.774 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.704 -0.514 -7.800 1.00 12.65 H new ATOM 302 N PRO A 19 12.227 -1.100 -4.840 1.00 7.24 N ATOM 303 CA PRO A 19 12.406 -0.026 -3.954 1.00 7.07 C ATOM 304 C PRO A 19 11.745 1.257 -4.454 1.00 6.65 C ATOM 305 O PRO A 19 11.099 1.943 -3.693 1.00 6.37 O ATOM 306 CB PRO A 19 13.942 0.036 -3.801 1.00 7.61 C ATOM 307 CG PRO A 19 14.428 -1.358 -4.063 1.00 8.16 C ATOM 308 CD PRO A 19 13.502 -1.773 -5.181 1.00 7.49 C ATOM 0 HA PRO A 19 11.918 -0.155 -2.988 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.378 0.743 -4.507 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.224 0.368 -2.802 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.475 -1.381 -4.364 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.333 -2.000 -3.188 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.877 -1.453 -6.153 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.385 -2.856 -5.225 1.00 7.49 H new ATOM 316 N SER A 20 11.817 1.412 -5.828 1.00 6.80 N ATOM 317 CA SER A 20 11.285 2.500 -6.548 1.00 6.28 C ATOM 318 C SER A 20 9.908 2.320 -7.047 1.00 8.45 C ATOM 319 O SER A 20 9.454 3.043 -7.881 1.00 7.26 O ATOM 320 CB SER A 20 12.134 3.006 -7.817 1.00 8.57 C ATOM 321 OG SER A 20 13.534 3.201 -7.527 1.00 11.13 O ATOM 0 H SER A 20 12.275 0.727 -6.429 1.00 6.80 H new ATOM 0 HA SER A 20 11.321 3.246 -5.755 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.035 2.280 -8.624 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.711 3.944 -8.178 1.00 8.57 H new ATOM 0 HG SER A 20 13.996 3.506 -8.336 1.00 11.13 H new ATOM 327 N ASP A 21 9.145 1.326 -6.494 1.00 7.50 N ATOM 328 CA ASP A 21 7.714 1.149 -6.847 1.00 7.70 C ATOM 329 C ASP A 21 6.980 2.310 -6.159 1.00 7.08 C ATOM 330 O ASP A 21 7.233 2.569 -4.974 1.00 8.11 O ATOM 331 CB ASP A 21 7.151 -0.277 -6.365 1.00 11.00 C ATOM 332 CG ASP A 21 6.609 -1.125 -7.487 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.152 -0.612 -8.521 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.787 -2.324 -7.328 1.00 14.36 O ATOM 0 H ASP A 21 9.497 0.651 -5.815 1.00 7.50 H new ATOM 0 HA ASP A 21 7.565 1.163 -7.927 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.950 -0.822 -5.863 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.363 -0.117 -5.629 1.00 11.00 H new ATOM 339 N THR A 22 5.997 2.971 -6.826 1.00 5.37 N ATOM 340 CA THR A 22 5.246 4.056 -6.167 1.00 6.01 C ATOM 341 C THR A 22 4.066 3.565 -5.435 1.00 8.01 C ATOM 342 O THR A 22 3.485 2.487 -5.692 1.00 8.11 O ATOM 343 CB THR A 22 4.739 5.103 -7.174 1.00 8.92 C ATOM 344 OG1 THR A 22 4.012 4.500 -8.220 1.00 10.22 O ATOM 345 CG2 THR A 22 5.880 5.932 -7.805 1.00 9.65 C ATOM 0 H THR A 22 5.718 2.776 -7.787 1.00 5.37 H new ATOM 0 HA THR A 22 5.959 4.502 -5.474 1.00 6.01 H new ATOM 0 HB THR A 22 4.097 5.768 -6.597 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.701 5.190 -8.843 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.461 6.653 -8.506 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.422 6.461 -7.021 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.563 5.267 -8.333 1.00 9.65 H new ATOM 353 N ILE A 23 3.558 4.413 -4.525 1.00 8.32 N ATOM 354 CA ILE A 23 2.401 4.117 -3.611 1.00 9.92 C ATOM 355 C ILE A 23 1.147 3.894 -4.464 1.00 10.01 C ATOM 356 O ILE A 23 0.356 3.020 -4.178 1.00 8.71 O ATOM 357 CB ILE A 23 2.209 5.307 -2.609 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.422 5.343 -1.593 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.920 5.046 -1.764 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.816 4.002 -0.905 1.00 12.30 C ATOM 0 H ILE A 23 3.937 5.350 -4.388 1.00 8.32 H new ATOM 0 HA ILE A 23 2.591 3.216 -3.028 1.00 9.92 H new ATOM 0 HB ILE A 23 2.143 6.239 -3.170 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.296 5.719 -2.124 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.187 6.067 -0.812 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.773 5.866 -1.062 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.058 4.977 -2.427 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.029 4.112 -1.213 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.660 4.170 -0.236 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.969 3.624 -0.332 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.095 3.272 -1.664 1.00 12.30 H new ATOM 372 N GLU A 24 0.926 4.722 -5.546 1.00 9.54 N ATOM 373 CA GLU A 24 -0.061 4.547 -6.608 1.00 11.81 C ATOM 374 C GLU A 24 -0.063 3.129 -7.269 1.00 11.14 C ATOM 375 O GLU A 24 -1.135 2.535 -7.399 1.00 10.62 O ATOM 376 CB GLU A 24 0.266 5.675 -7.685 1.00 19.24 C ATOM 377 CG GLU A 24 -0.809 5.945 -8.814 1.00 27.76 C ATOM 378 CD GLU A 24 -0.221 6.601 -10.048 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.637 6.081 -10.773 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.723 7.718 -10.337 1.00 36.51 O ATOM 0 H GLU A 24 1.478 5.569 -5.681 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.062 4.636 -6.186 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.434 6.610 -7.151 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.205 5.412 -8.172 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.274 5.001 -9.098 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.598 6.581 -8.412 1.00 27.76 H new ATOM 387 N ASN A 25 1.129 2.595 -7.679 1.00 9.43 N ATOM 388 CA ASN A 25 1.400 1.287 -8.276 1.00 10.96 C ATOM 389 C ASN A 25 1.184 0.053 -7.344 1.00 9.68 C ATOM 390 O ASN A 25 0.688 -1.001 -7.735 1.00 9.33 O ATOM 391 CB ASN A 25 2.753 1.215 -9.040 1.00 16.78 C ATOM 392 CG ASN A 25 2.794 -0.069 -9.842 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.910 -0.279 -10.642 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.766 -0.951 -9.736 1.00 24.70 N ATOM 0 H ASN A 25 1.990 3.134 -7.582 1.00 9.43 H new ATOM 0 HA ASN A 25 0.608 1.204 -9.021 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.860 2.076 -9.700 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.585 1.247 -8.337 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.762 -1.787 -10.320 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.523 -0.798 -9.070 1.00 24.70 H new ATOM 401 N VAL A 26 1.551 0.359 -6.106 1.00 6.52 N ATOM 402 CA VAL A 26 1.248 -0.558 -4.994 1.00 5.53 C ATOM 403 C VAL A 26 -0.233 -0.682 -4.724 1.00 4.42 C ATOM 404 O VAL A 26 -0.710 -1.794 -4.423 1.00 3.40 O ATOM 405 CB VAL A 26 1.924 -0.027 -3.733 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.476 -0.830 -2.514 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.474 -0.148 -3.949 1.00 8.12 C ATOM 0 H VAL A 26 2.047 1.210 -5.841 1.00 6.52 H new ATOM 0 HA VAL A 26 1.617 -1.545 -5.272 1.00 5.53 H new ATOM 0 HB VAL A 26 1.650 1.012 -3.552 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.966 -0.440 -1.622 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.395 -0.746 -2.400 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.747 -1.877 -2.649 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.994 0.223 -3.066 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.738 -1.193 -4.114 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.767 0.442 -4.818 1.00 8.12 H new ATOM 417 N LYS A 27 -1.013 0.397 -4.795 1.00 2.64 N ATOM 418 CA LYS A 27 -2.493 0.280 -4.815 1.00 4.14 C ATOM 419 C LYS A 27 -3.069 -0.508 -6.006 1.00 5.58 C ATOM 420 O LYS A 27 -3.982 -1.299 -5.855 1.00 4.11 O ATOM 421 CB LYS A 27 -3.101 1.677 -4.820 1.00 3.97 C ATOM 422 CG LYS A 27 -2.716 2.275 -3.409 1.00 7.45 C ATOM 423 CD LYS A 27 -3.173 3.689 -3.299 1.00 9.02 C ATOM 424 CE LYS A 27 -2.961 4.263 -1.902 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.373 5.675 -2.007 1.00 15.47 N ATOM 0 H LYS A 27 -0.663 1.354 -4.840 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.755 -0.287 -3.921 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.699 2.283 -5.632 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.182 1.640 -4.955 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.170 1.677 -2.618 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.636 2.224 -3.268 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.635 4.299 -4.025 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.231 3.747 -3.556 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.558 3.731 -1.161 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.919 4.177 -1.593 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.056 6.193 -1.163 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.945 6.099 -2.855 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.409 5.730 -2.078 1.00 15.47 H new ATOM 439 N ALA A 28 -2.382 -0.359 -7.165 1.00 6.61 N ATOM 440 CA ALA A 28 -2.697 -0.949 -8.400 1.00 7.74 C ATOM 441 C ALA A 28 -2.529 -2.428 -8.354 1.00 9.17 C ATOM 442 O ALA A 28 -3.395 -3.197 -8.741 1.00 11.45 O ATOM 443 CB ALA A 28 -1.860 -0.357 -9.558 1.00 7.68 C ATOM 0 H ALA A 28 -1.546 0.223 -7.218 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.745 -0.722 -8.593 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.138 -0.843 -10.493 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.051 0.713 -9.635 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.801 -0.523 -9.363 1.00 7.68 H new ATOM 449 N LYS A 29 -1.455 -2.862 -7.657 1.00 8.96 N ATOM 450 CA LYS A 29 -1.317 -4.280 -7.363 1.00 7.90 C ATOM 451 C LYS A 29 -2.399 -4.870 -6.456 1.00 6.92 C ATOM 452 O LYS A 29 -2.901 -5.954 -6.675 1.00 6.87 O ATOM 453 CB LYS A 29 0.029 -4.673 -6.714 1.00 10.28 C ATOM 454 CG LYS A 29 1.234 -4.336 -7.597 1.00 14.94 C ATOM 455 CD LYS A 29 2.533 -4.638 -6.877 1.00 19.69 C ATOM 456 CE LYS A 29 3.825 -4.443 -7.715 1.00 22.63 C ATOM 457 NZ LYS A 29 4.158 -5.573 -8.649 1.00 24.98 N ATOM 0 H LYS A 29 -0.705 -2.267 -7.305 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.403 -4.695 -8.367 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.130 -4.159 -5.758 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.027 -5.742 -6.503 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.184 -4.910 -8.522 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.204 -3.282 -7.874 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.595 -4.002 -5.994 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.502 -5.669 -6.525 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.726 -3.528 -8.298 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.663 -4.297 -7.033 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.605 -5.193 -9.508 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.813 -6.230 -8.179 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.287 -6.079 -8.907 1.00 24.98 H new ATOM 471 N ILE A 30 -2.883 -4.127 -5.383 1.00 4.57 N ATOM 472 CA ILE A 30 -3.857 -4.627 -4.453 1.00 5.58 C ATOM 473 C ILE A 30 -5.254 -4.651 -5.131 1.00 7.26 C ATOM 474 O ILE A 30 -6.148 -5.458 -4.788 1.00 9.46 O ATOM 475 CB ILE A 30 -3.879 -3.831 -3.220 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.499 -3.895 -2.545 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.899 -4.426 -2.242 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.356 -2.700 -1.538 1.00 2.00 C ATOM 0 H ILE A 30 -2.579 -3.174 -5.183 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.582 -5.643 -4.170 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.141 -2.803 -3.470 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.382 -4.843 -2.020 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.711 -3.848 -3.297 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.914 -3.834 -1.327 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.889 -4.415 -2.698 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.620 -5.453 -2.005 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.378 -2.743 -1.058 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.455 -1.757 -2.076 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.136 -2.768 -0.779 1.00 2.00 H new ATOM 490 N GLN A 31 -5.490 -3.760 -6.127 1.00 7.06 N ATOM 491 CA GLN A 31 -6.638 -3.818 -6.984 1.00 8.67 C ATOM 492 C GLN A 31 -6.674 -5.066 -7.866 1.00 10.90 C ATOM 493 O GLN A 31 -7.650 -5.744 -8.054 1.00 9.63 O ATOM 494 CB GLN A 31 -6.669 -2.588 -7.896 1.00 9.12 C ATOM 495 CG GLN A 31 -8.057 -2.232 -8.622 1.00 10.76 C ATOM 496 CD GLN A 31 -7.936 -1.196 -9.747 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.915 -0.580 -9.930 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.071 -0.903 -10.414 1.00 14.76 N ATOM 0 H GLN A 31 -4.864 -2.983 -6.337 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.506 -3.849 -6.325 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.369 -1.724 -7.304 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.912 -2.724 -8.668 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.484 -3.147 -9.032 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.758 -1.860 -7.875 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.919 -1.441 -10.238 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.081 -0.143 -11.094 1.00 14.76 H new ATOM 507 N ASP A 32 -5.547 -5.410 -8.480 1.00 10.93 N ATOM 508 CA ASP A 32 -5.323 -6.638 -9.303 1.00 14.01 C ATOM 509 C ASP A 32 -5.563 -7.896 -8.441 1.00 14.04 C ATOM 510 O ASP A 32 -6.029 -8.936 -8.952 1.00 13.39 O ATOM 511 CB ASP A 32 -3.844 -6.609 -9.723 1.00 18.01 C ATOM 512 CG ASP A 32 -3.650 -7.529 -10.842 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.578 -7.946 -11.553 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.471 -7.753 -11.179 1.00 25.17 O ATOM 0 H ASP A 32 -4.713 -4.826 -8.427 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.996 -6.664 -10.160 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.554 -5.599 -10.011 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.209 -6.896 -8.885 1.00 18.01 H new ATOM 519 N LYS A 33 -5.156 -7.885 -7.172 1.00 14.22 N ATOM 520 CA LYS A 33 -5.264 -8.993 -6.265 1.00 14.00 C ATOM 521 C LYS A 33 -6.724 -9.066 -5.856 1.00 12.37 C ATOM 522 O LYS A 33 -7.461 -9.959 -6.229 1.00 12.17 O ATOM 523 CB LYS A 33 -4.433 -8.714 -4.973 1.00 18.62 C ATOM 524 CG LYS A 33 -2.934 -8.991 -5.130 1.00 24.00 C ATOM 525 CD LYS A 33 -2.579 -10.528 -5.274 1.00 27.61 C ATOM 526 CE LYS A 33 -1.152 -10.722 -5.785 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.914 -12.126 -6.075 1.00 30.06 N ATOM 0 H LYS A 33 -4.727 -7.064 -6.745 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.905 -9.908 -6.737 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.572 -7.673 -4.681 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.823 -9.328 -4.161 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.566 -8.459 -6.007 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.407 -8.585 -4.267 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.692 -11.022 -4.309 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.281 -11.003 -5.959 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.994 -10.125 -6.683 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.439 -10.370 -5.039 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.059 -12.249 -6.422 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.046 -12.687 -5.209 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.584 -12.449 -6.802 1.00 30.06 H new ATOM 541 N GLU A 34 -7.170 -8.074 -5.037 1.00 10.11 N ATOM 542 CA GLU A 34 -8.332 -8.178 -4.151 1.00 10.07 C ATOM 543 C GLU A 34 -9.518 -7.444 -4.779 1.00 9.32 C ATOM 544 O GLU A 34 -10.661 -7.579 -4.377 1.00 11.61 O ATOM 545 CB GLU A 34 -8.131 -7.395 -2.810 1.00 14.77 C ATOM 546 CG GLU A 34 -7.338 -8.137 -1.702 1.00 18.75 C ATOM 547 CD GLU A 34 -8.002 -9.416 -1.278 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.850 -10.497 -1.937 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.760 -9.402 -0.273 1.00 21.95 O ATOM 0 H GLU A 34 -6.711 -7.165 -4.984 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.481 -9.246 -3.990 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.618 -6.459 -3.032 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.112 -7.134 -2.414 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.333 -8.356 -2.063 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.230 -7.483 -0.837 1.00 18.75 H new ATOM 556 N GLY A 35 -9.356 -6.691 -5.881 1.00 7.22 N ATOM 557 CA GLY A 35 -10.444 -5.909 -6.452 1.00 6.29 C ATOM 558 C GLY A 35 -10.831 -4.623 -5.837 1.00 6.93 C ATOM 559 O GLY A 35 -11.863 -4.038 -6.227 1.00 7.41 O ATOM 0 H GLY A 35 -8.475 -6.614 -6.389 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.187 -5.707 -7.492 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.330 -6.544 -6.460 1.00 6.29 H new ATOM 563 N ILE A 36 -10.034 -3.978 -4.916 1.00 5.86 N ATOM 564 CA ILE A 36 -10.468 -2.768 -4.224 1.00 6.07 C ATOM 565 C ILE A 36 -10.066 -1.521 -5.111 1.00 6.36 C ATOM 566 O ILE A 36 -8.952 -1.501 -5.623 1.00 6.18 O ATOM 567 CB ILE A 36 -9.925 -2.523 -2.838 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.066 -3.787 -1.969 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.564 -1.255 -2.141 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.253 -3.634 -0.637 1.00 9.49 C ATOM 0 H ILE A 36 -9.100 -4.295 -4.657 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.540 -2.911 -4.088 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.864 -2.298 -2.945 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.117 -3.963 -1.742 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.709 -4.656 -2.521 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.134 -1.131 -1.147 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.357 -0.368 -2.740 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.642 -1.392 -2.055 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.365 -4.537 -0.037 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.199 -3.481 -0.869 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.629 -2.777 -0.078 1.00 9.49 H new ATOM 582 N PRO A 37 -10.936 -0.553 -5.394 1.00 8.65 N ATOM 583 CA PRO A 37 -10.571 0.667 -6.108 1.00 9.18 C ATOM 584 C PRO A 37 -9.488 1.461 -5.417 1.00 9.85 C ATOM 585 O PRO A 37 -9.648 1.544 -4.150 1.00 8.51 O ATOM 586 CB PRO A 37 -11.953 1.422 -6.132 1.00 11.42 C ATOM 587 CG PRO A 37 -12.894 0.272 -6.399 1.00 9.27 C ATOM 588 CD PRO A 37 -12.347 -0.870 -5.501 1.00 8.33 C ATOM 0 HA PRO A 37 -10.137 0.488 -7.092 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.168 1.922 -5.188 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.996 2.182 -6.912 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.921 0.527 -6.140 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.892 -0.011 -7.452 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.833 -0.884 -4.525 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.508 -1.850 -5.951 1.00 8.33 H new ATOM 596 N PRO A 38 -8.399 2.096 -5.994 1.00 8.71 N ATOM 597 CA PRO A 38 -7.461 2.911 -5.257 1.00 9.08 C ATOM 598 C PRO A 38 -8.051 4.192 -4.561 1.00 9.28 C ATOM 599 O PRO A 38 -7.451 4.712 -3.580 1.00 6.50 O ATOM 600 CB PRO A 38 -6.471 3.298 -6.351 1.00 10.31 C ATOM 601 CG PRO A 38 -6.381 2.181 -7.381 1.00 10.81 C ATOM 602 CD PRO A 38 -7.787 1.548 -7.237 1.00 12.00 C ATOM 0 HA PRO A 38 -7.054 2.365 -4.406 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.789 4.224 -6.831 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.489 3.485 -5.916 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.198 2.559 -8.387 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.583 1.473 -7.156 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.404 1.783 -8.104 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.715 0.462 -7.182 1.00 12.00 H new ATOM 610 N ASP A 39 -9.253 4.658 -5.025 1.00 11.20 N ATOM 611 CA ASP A 39 -10.094 5.692 -4.387 1.00 14.96 C ATOM 612 C ASP A 39 -10.431 5.303 -2.959 1.00 13.99 C ATOM 613 O ASP A 39 -10.490 6.189 -2.095 1.00 13.75 O ATOM 614 CB ASP A 39 -11.407 5.846 -5.159 1.00 24.16 C ATOM 615 CG ASP A 39 -11.213 6.493 -6.510 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.541 7.557 -6.536 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.767 5.946 -7.536 1.00 34.22 O ATOM 0 H ASP A 39 -9.667 4.302 -5.887 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.535 6.628 -4.392 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.863 4.865 -5.292 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.103 6.444 -4.570 1.00 24.16 H new ATOM 622 N GLN A 40 -10.538 4.029 -2.658 1.00 11.60 N ATOM 623 CA GLN A 40 -10.786 3.495 -1.329 1.00 10.76 C ATOM 624 C GLN A 40 -9.552 2.981 -0.607 1.00 8.01 C ATOM 625 O GLN A 40 -9.665 2.504 0.526 1.00 8.96 O ATOM 626 CB GLN A 40 -11.772 2.305 -1.422 1.00 11.14 C ATOM 627 CG GLN A 40 -13.107 2.712 -2.111 1.00 14.85 C ATOM 628 CD GLN A 40 -14.207 1.668 -1.887 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.699 0.936 -2.752 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.726 1.621 -0.579 1.00 18.16 N ATOM 0 H GLN A 40 -10.451 3.298 -3.364 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.180 4.337 -0.760 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.308 1.492 -1.980 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.980 1.927 -0.421 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.437 3.676 -1.723 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.940 2.839 -3.181 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.332 2.218 0.148 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.496 0.990 -0.358 1.00 18.16 H new ATOM 639 N GLN A 41 -8.316 3.102 -1.163 1.00 6.52 N ATOM 640 CA GLN A 41 -7.110 2.539 -0.586 1.00 3.87 C ATOM 641 C GLN A 41 -6.382 3.632 0.075 1.00 4.79 C ATOM 642 O GLN A 41 -5.841 4.494 -0.587 1.00 6.34 O ATOM 643 CB GLN A 41 -6.283 1.832 -1.723 1.00 4.20 C ATOM 644 CG GLN A 41 -6.902 0.483 -2.210 1.00 3.20 C ATOM 645 CD GLN A 41 -5.936 -0.264 -3.110 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.844 -0.596 -2.640 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.324 -0.536 -4.374 1.00 7.13 N ATOM 0 H GLN A 41 -8.150 3.604 -2.035 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.322 1.776 0.164 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.199 2.510 -2.573 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.271 1.647 -1.362 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.156 -0.136 -1.350 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.830 0.678 -2.748 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.241 -0.234 -4.702 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.700 -1.044 -5.001 1.00 7.13 H new ATOM 656 N ARG A 42 -6.358 3.582 1.473 1.00 5.73 N ATOM 657 CA ARG A 42 -5.377 4.294 2.293 1.00 6.97 C ATOM 658 C ARG A 42 -4.275 3.313 2.762 1.00 7.15 C ATOM 659 O ARG A 42 -4.544 2.269 3.312 1.00 7.33 O ATOM 660 CB ARG A 42 -6.133 4.918 3.485 1.00 13.23 C ATOM 661 CG ARG A 42 -6.813 6.248 3.007 1.00 21.27 C ATOM 662 CD ARG A 42 -7.376 6.902 4.291 1.00 26.14 C ATOM 663 NE ARG A 42 -7.875 8.225 3.805 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.925 8.887 4.345 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.779 8.368 5.177 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.203 10.071 3.928 1.00 36.39 N ATOM 0 H ARG A 42 -7.028 3.041 2.020 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.883 5.083 1.726 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.884 4.224 3.862 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.445 5.119 4.306 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.094 6.903 2.515 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.606 6.048 2.287 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.176 6.306 4.730 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.608 7.017 5.056 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.393 8.656 3.016 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.682 7.395 5.466 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.546 8.934 5.540 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.635 10.501 3.198 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.992 10.580 4.327 1.00 36.39 H new ATOM 680 N LEU A 43 -3.019 3.672 2.662 1.00 4.65 N ATOM 681 CA LEU A 43 -1.859 2.983 3.073 1.00 3.51 C ATOM 682 C LEU A 43 -1.185 3.642 4.249 1.00 5.56 C ATOM 683 O LEU A 43 -1.049 4.897 4.341 1.00 4.19 O ATOM 684 CB LEU A 43 -0.909 2.633 1.924 1.00 3.74 C ATOM 685 CG LEU A 43 -1.533 1.565 1.008 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.737 1.327 -0.284 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.577 0.192 1.644 1.00 6.41 C ATOM 0 H LEU A 43 -2.777 4.566 2.236 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.200 2.014 3.436 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.684 3.529 1.346 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.036 2.268 2.326 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.525 1.973 0.815 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.233 0.563 -0.882 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.683 2.255 -0.854 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.271 0.995 -0.035 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.028 -0.517 0.949 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.564 -0.130 1.885 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.171 0.233 2.557 1.00 6.41 H new ATOM 699 N ILE A 44 -0.785 2.884 5.271 1.00 4.58 N ATOM 700 CA ILE A 44 -0.085 3.356 6.491 1.00 5.55 C ATOM 701 C ILE A 44 1.191 2.568 6.750 1.00 5.46 C ATOM 702 O ILE A 44 1.093 1.331 6.690 1.00 6.04 O ATOM 703 CB ILE A 44 -0.957 3.181 7.744 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.440 3.669 7.636 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.303 3.828 8.935 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.571 5.203 7.571 1.00 13.90 C ATOM 0 H ILE A 44 -0.942 1.876 5.282 1.00 4.58 H new ATOM 0 HA ILE A 44 0.137 4.408 6.310 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.026 2.100 7.862 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.895 3.234 6.746 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.001 3.299 8.494 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.934 3.695 9.814 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.668 3.366 9.112 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.169 4.893 8.743 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.624 5.475 7.497 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.145 5.643 8.473 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.037 5.577 6.697 1.00 13.90 H new ATOM 718 N PHE A 45 2.411 3.239 6.905 1.00 6.75 N ATOM 719 CA PHE A 45 3.626 2.642 7.268 1.00 4.70 C ATOM 720 C PHE A 45 4.246 3.565 8.279 1.00 6.34 C ATOM 721 O PHE A 45 4.410 4.739 8.017 1.00 5.45 O ATOM 722 CB PHE A 45 4.587 2.392 6.035 1.00 5.51 C ATOM 723 CG PHE A 45 5.822 1.602 6.437 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.933 0.224 6.507 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.926 2.403 6.647 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.194 -0.404 6.625 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.207 1.793 6.856 1.00 6.64 C ATOM 728 CZ PHE A 45 8.318 0.371 6.856 1.00 6.84 C ATOM 0 H PHE A 45 2.497 4.245 6.758 1.00 6.75 H new ATOM 0 HA PHE A 45 3.454 1.647 7.680 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.047 1.853 5.256 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.889 3.349 5.609 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.040 -0.382 6.471 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.826 3.478 6.654 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.280 -1.477 6.536 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.082 2.406 7.012 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.274 -0.099 7.035 1.00 6.84 H new ATOM 738 N ALA A 46 4.588 3.024 9.466 1.00 6.53 N ATOM 739 CA ALA A 46 5.109 3.731 10.659 1.00 7.15 C ATOM 740 C ALA A 46 4.176 4.939 11.060 1.00 9.00 C ATOM 741 O ALA A 46 4.642 6.042 11.343 1.00 11.15 O ATOM 742 CB ALA A 46 6.494 4.190 10.476 1.00 8.99 C ATOM 0 H ALA A 46 4.504 2.021 9.630 1.00 6.53 H new ATOM 0 HA ALA A 46 5.110 3.007 11.474 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.830 4.702 11.378 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.139 3.333 10.284 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.541 4.876 9.630 1.00 8.99 H new ATOM 748 N GLY A 47 2.834 4.715 11.229 1.00 9.35 N ATOM 749 CA GLY A 47 1.996 5.835 11.689 1.00 11.68 C ATOM 750 C GLY A 47 1.858 7.005 10.725 1.00 11.14 C ATOM 751 O GLY A 47 1.300 8.045 11.008 1.00 13.93 O ATOM 0 H GLY A 47 2.351 3.832 11.064 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.000 5.451 11.908 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.407 6.209 12.627 1.00 11.68 H new ATOM 755 N LYS A 48 2.355 6.906 9.440 1.00 10.47 N ATOM 756 CA LYS A 48 2.347 7.971 8.448 1.00 8.82 C ATOM 757 C LYS A 48 1.425 7.495 7.396 1.00 7.68 C ATOM 758 O LYS A 48 1.571 6.417 6.855 1.00 6.47 O ATOM 759 CB LYS A 48 3.740 8.156 7.823 1.00 9.74 C ATOM 760 CG LYS A 48 3.826 9.369 6.867 1.00 14.14 C ATOM 761 CD LYS A 48 3.589 10.727 7.548 1.00 16.32 C ATOM 762 CE LYS A 48 3.772 11.820 6.494 1.00 20.04 C ATOM 763 NZ LYS A 48 3.758 13.125 7.183 1.00 23.92 N ATOM 0 H LYS A 48 2.777 6.046 9.089 1.00 10.47 H new ATOM 0 HA LYS A 48 2.054 8.922 8.893 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.475 8.277 8.619 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.008 7.252 7.277 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.809 9.378 6.397 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.093 9.242 6.070 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.586 10.771 7.973 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.290 10.869 8.370 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.712 11.681 5.960 1.00 20.04 H new ATOM 0 HE3 LYS A 48 2.974 11.772 5.753 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.881 13.887 6.486 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.850 13.249 7.674 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.533 13.160 7.875 1.00 23.92 H new ATOM 777 N GLN A 49 0.507 8.341 6.959 1.00 8.89 N ATOM 778 CA GLN A 49 -0.384 8.162 5.828 1.00 7.18 C ATOM 779 C GLN A 49 0.349 8.381 4.506 1.00 8.23 C ATOM 780 O GLN A 49 0.839 9.478 4.153 1.00 9.70 O ATOM 781 CB GLN A 49 -1.599 9.164 5.919 1.00 11.67 C ATOM 782 CG GLN A 49 -2.798 8.658 5.082 1.00 15.82 C ATOM 783 CD GLN A 49 -4.101 9.394 5.240 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.980 8.959 5.990 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.157 10.598 4.586 1.00 20.67 N ATOM 0 H GLN A 49 0.355 9.237 7.421 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.752 7.137 5.860 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.901 9.282 6.960 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.292 10.147 5.563 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.515 8.692 4.030 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.968 7.611 5.332 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.387 10.887 3.982 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.968 11.205 4.704 1.00 20.67 H new ATOM 794 N LEU A 50 0.453 7.307 3.739 1.00 6.51 N ATOM 795 CA LEU A 50 1.395 7.353 2.563 1.00 7.41 C ATOM 796 C LEU A 50 0.761 8.085 1.332 1.00 8.27 C ATOM 797 O LEU A 50 -0.449 8.032 1.085 1.00 8.34 O ATOM 798 CB LEU A 50 1.951 5.948 2.135 1.00 7.13 C ATOM 799 CG LEU A 50 2.458 5.091 3.386 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.830 3.752 2.807 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.557 5.830 4.207 1.00 9.11 C ATOM 0 H LEU A 50 -0.054 6.432 3.870 1.00 6.51 H new ATOM 0 HA LEU A 50 2.249 7.932 2.915 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.172 5.395 1.610 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.773 6.083 1.433 1.00 7.13 H new ATOM 0 HG LEU A 50 1.697 4.946 4.153 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.190 3.099 3.602 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.955 3.303 2.337 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.615 3.883 2.062 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.867 5.206 5.045 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.416 6.031 3.567 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.158 6.772 4.584 1.00 9.11 H new ATOM 813 N GLU A 51 1.668 8.715 0.505 1.00 9.43 N ATOM 814 CA GLU A 51 1.276 9.523 -0.610 1.00 11.90 C ATOM 815 C GLU A 51 1.667 8.948 -1.995 1.00 11.49 C ATOM 816 O GLU A 51 2.793 8.532 -2.281 1.00 9.88 O ATOM 817 CB GLU A 51 1.976 10.843 -0.509 1.00 16.56 C ATOM 818 CG GLU A 51 1.511 11.989 -1.463 1.00 26.06 C ATOM 819 CD GLU A 51 2.384 13.199 -1.206 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.135 13.923 -0.232 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.327 13.400 -2.010 1.00 33.44 O ATOM 0 H GLU A 51 2.678 8.649 0.630 1.00 9.43 H new ATOM 0 HA GLU A 51 0.189 9.582 -0.558 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.874 11.199 0.516 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.038 10.673 -0.683 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.593 11.675 -2.503 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.463 12.231 -1.285 1.00 26.06 H new ATOM 828 N ASP A 52 0.599 8.941 -2.874 1.00 12.71 N ATOM 829 CA ASP A 52 0.434 8.216 -4.129 1.00 16.56 C ATOM 830 C ASP A 52 1.637 8.273 -5.105 1.00 15.83 C ATOM 831 O ASP A 52 2.085 7.279 -5.591 1.00 17.21 O ATOM 832 CB ASP A 52 -0.832 8.715 -4.795 1.00 21.05 C ATOM 833 CG ASP A 52 -1.942 8.411 -3.908 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.532 7.323 -3.948 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.307 9.334 -3.113 1.00 25.82 O ATOM 0 H ASP A 52 -0.227 9.505 -2.674 1.00 12.71 H new ATOM 0 HA ASP A 52 0.368 7.158 -3.873 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.771 9.788 -4.979 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.972 8.233 -5.763 1.00 21.05 H new ATOM 840 N GLY A 53 2.144 9.504 -5.349 1.00 15.00 N ATOM 841 CA GLY A 53 3.232 9.784 -6.230 1.00 11.77 C ATOM 842 C GLY A 53 4.637 9.514 -5.687 1.00 11.10 C ATOM 843 O GLY A 53 5.629 9.470 -6.405 1.00 11.25 O ATOM 0 H GLY A 53 1.770 10.343 -4.905 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.097 9.194 -7.137 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.174 10.833 -6.521 1.00 11.77 H new ATOM 847 N ARG A 54 4.796 9.132 -4.374 1.00 8.53 N ATOM 848 CA ARG A 54 6.103 8.725 -3.805 1.00 9.05 C ATOM 849 C ARG A 54 6.331 7.209 -3.740 1.00 8.96 C ATOM 850 O ARG A 54 5.454 6.428 -4.108 1.00 11.60 O ATOM 851 CB ARG A 54 6.348 9.335 -2.428 1.00 7.97 C ATOM 852 CG ARG A 54 5.839 10.737 -2.257 1.00 9.62 C ATOM 853 CD ARG A 54 6.149 11.225 -0.816 1.00 12.20 C ATOM 854 NE ARG A 54 5.469 12.514 -0.601 1.00 18.23 N ATOM 855 CZ ARG A 54 5.736 13.467 0.306 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.786 13.338 1.162 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.911 14.520 0.411 1.00 23.38 N ATOM 0 H ARG A 54 4.028 9.102 -3.703 1.00 8.53 H new ATOM 0 HA ARG A 54 6.828 9.122 -4.515 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.879 8.700 -1.677 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.420 9.326 -2.228 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.309 11.398 -2.986 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.765 10.771 -2.441 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.808 10.491 -0.086 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.224 11.337 -0.677 1.00 12.20 H new ATOM 0 HE ARG A 54 4.688 12.709 -1.227 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.380 12.510 1.119 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.979 14.069 1.847 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.093 14.589 -0.194 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.102 15.251 1.096 1.00 23.38 H new ATOM 871 N THR A 55 7.504 6.814 -3.257 1.00 9.05 N ATOM 872 CA THR A 55 7.997 5.440 -3.421 1.00 9.03 C ATOM 873 C THR A 55 8.181 4.660 -2.118 1.00 8.15 C ATOM 874 O THR A 55 8.245 5.277 -1.052 1.00 5.91 O ATOM 875 CB THR A 55 9.243 5.282 -4.291 1.00 11.15 C ATOM 876 OG1 THR A 55 10.398 5.831 -3.605 1.00 11.95 O ATOM 877 CG2 THR A 55 9.160 6.010 -5.647 1.00 11.71 C ATOM 0 H THR A 55 8.139 7.426 -2.745 1.00 9.05 H new ATOM 0 HA THR A 55 7.166 4.994 -3.967 1.00 9.03 H new ATOM 0 HB THR A 55 9.326 4.211 -4.473 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.384 6.809 -3.672 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.083 5.848 -6.204 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.318 5.619 -6.219 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.020 7.078 -5.479 1.00 11.71 H new ATOM 885 N LEU A 56 8.330 3.328 -2.242 1.00 6.91 N ATOM 886 CA LEU A 56 8.682 2.443 -1.069 1.00 8.29 C ATOM 887 C LEU A 56 10.060 2.800 -0.463 1.00 8.05 C ATOM 888 O LEU A 56 10.251 2.796 0.744 1.00 10.17 O ATOM 889 CB LEU A 56 8.511 1.001 -1.625 1.00 6.60 C ATOM 890 CG LEU A 56 7.119 0.440 -2.117 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.265 -1.039 -2.410 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.993 0.646 -1.120 1.00 8.64 C ATOM 0 H LEU A 56 8.218 2.827 -3.123 1.00 6.91 H new ATOM 0 HA LEU A 56 8.039 2.573 -0.198 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.199 0.907 -2.465 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.863 0.323 -0.847 1.00 6.60 H new ATOM 0 HG LEU A 56 6.847 1.000 -3.011 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.310 -1.438 -2.751 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.017 -1.184 -3.186 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.574 -1.561 -1.504 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.068 0.236 -1.526 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.236 0.138 -0.187 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.865 1.712 -0.931 1.00 8.64 H new ATOM 904 N SER A 57 11.117 3.163 -1.242 1.00 8.92 N ATOM 905 CA SER A 57 12.418 3.599 -0.700 1.00 9.00 C ATOM 906 C SER A 57 12.322 4.957 0.097 1.00 9.44 C ATOM 907 O SER A 57 12.839 5.087 1.156 1.00 10.91 O ATOM 908 CB SER A 57 13.495 3.884 -1.770 1.00 10.32 C ATOM 909 OG SER A 57 14.857 4.030 -1.289 1.00 13.59 O ATOM 0 H SER A 57 11.082 3.159 -2.261 1.00 8.92 H new ATOM 0 HA SER A 57 12.695 2.752 -0.073 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.475 3.075 -2.500 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.219 4.797 -2.298 1.00 10.32 H new ATOM 0 HG SER A 57 15.454 4.206 -2.046 1.00 13.59 H new ATOM 915 N ASP A 58 11.541 5.937 -0.386 1.00 9.11 N ATOM 916 CA ASP A 58 11.396 7.172 0.348 1.00 7.91 C ATOM 917 C ASP A 58 10.833 7.059 1.741 1.00 9.12 C ATOM 918 O ASP A 58 11.249 7.757 2.659 1.00 8.61 O ATOM 919 CB ASP A 58 10.318 7.986 -0.473 1.00 8.41 C ATOM 920 CG ASP A 58 10.810 8.438 -1.876 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.906 8.960 -2.096 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.014 8.267 -2.841 1.00 11.70 O ATOM 0 H ASP A 58 11.019 5.888 -1.261 1.00 9.11 H new ATOM 0 HA ASP A 58 12.391 7.605 0.455 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.425 7.372 -0.592 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.026 8.866 0.100 1.00 8.41 H new ATOM 927 N TYR A 59 9.889 6.160 1.926 1.00 7.97 N ATOM 928 CA TYR A 59 9.308 5.861 3.221 1.00 8.45 C ATOM 929 C TYR A 59 10.066 4.770 4.066 1.00 10.98 C ATOM 930 O TYR A 59 9.609 4.491 5.181 1.00 12.95 O ATOM 931 CB TYR A 59 7.841 5.423 3.160 1.00 7.94 C ATOM 932 CG TYR A 59 7.030 6.558 2.666 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.760 7.673 3.512 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.433 6.609 1.360 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.791 8.627 3.092 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.529 7.648 0.951 1.00 6.52 C ATOM 937 CZ TYR A 59 5.160 8.625 1.863 1.00 6.76 C ATOM 938 OH TYR A 59 4.268 9.648 1.551 1.00 7.63 O ATOM 0 H TYR A 59 9.495 5.605 1.166 1.00 7.97 H new ATOM 0 HA TYR A 59 9.402 6.827 3.716 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.730 4.563 2.500 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.497 5.114 4.147 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.280 7.791 4.451 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.675 5.830 0.653 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.529 9.412 3.786 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.141 7.668 -0.057 1.00 6.52 H new ATOM 0 HH TYR A 59 4.535 10.468 2.016 1.00 7.63 H new ATOM 948 N ASN A 60 11.193 4.169 3.579 1.00 12.38 N ATOM 949 CA ASN A 60 11.969 3.182 4.237 1.00 13.94 C ATOM 950 C ASN A 60 11.312 1.877 4.308 1.00 14.16 C ATOM 951 O ASN A 60 11.538 1.123 5.269 1.00 14.26 O ATOM 952 CB ASN A 60 12.651 3.774 5.554 1.00 19.23 C ATOM 953 CG ASN A 60 13.336 5.035 5.192 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.296 5.046 4.420 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.909 6.179 5.788 1.00 24.09 N ATOM 0 H ASN A 60 11.569 4.405 2.661 1.00 12.38 H new ATOM 0 HA ASN A 60 12.828 2.918 3.620 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.900 3.956 6.322 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.363 3.060 5.968 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.385 7.061 5.598 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.113 6.156 6.425 1.00 24.09 H new ATOM 962 N ILE A 61 10.561 1.584 3.310 1.00 11.08 N ATOM 963 CA ILE A 61 9.916 0.344 3.053 1.00 11.78 C ATOM 964 C ILE A 61 10.860 -0.519 2.303 1.00 13.74 C ATOM 965 O ILE A 61 11.059 -0.521 1.088 1.00 14.60 O ATOM 966 CB ILE A 61 8.539 0.426 2.324 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.672 1.297 3.235 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.903 -0.955 1.957 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.373 1.871 2.649 1.00 11.42 C ATOM 0 H ILE A 61 10.362 2.270 2.582 1.00 11.08 H new ATOM 0 HA ILE A 61 9.661 -0.077 4.025 1.00 11.78 H new ATOM 0 HB ILE A 61 8.648 0.865 1.332 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.412 0.707 4.114 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.282 2.132 3.580 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.949 -0.794 1.454 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.575 -1.500 1.294 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.741 -1.534 2.866 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.864 2.466 3.407 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.608 2.501 1.791 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.724 1.054 2.333 1.00 11.42 H new ATOM 981 N GLN A 62 11.609 -1.313 3.084 1.00 13.97 N ATOM 982 CA GLN A 62 12.680 -2.168 2.748 1.00 15.52 C ATOM 983 C GLN A 62 12.112 -3.592 2.471 1.00 13.94 C ATOM 984 O GLN A 62 10.948 -3.896 2.736 1.00 12.15 O ATOM 985 CB GLN A 62 13.637 -2.223 3.908 1.00 19.53 C ATOM 986 CG GLN A 62 14.292 -0.904 4.365 1.00 26.38 C ATOM 987 CD GLN A 62 14.996 -0.188 3.196 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.428 0.727 2.574 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.199 -0.658 2.772 1.00 32.71 N ATOM 0 H GLN A 62 11.426 -1.350 4.087 1.00 13.97 H new ATOM 0 HA GLN A 62 13.199 -1.801 1.863 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.105 -2.646 4.761 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.434 -2.921 3.651 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.533 -0.248 4.791 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.014 -1.110 5.155 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.663 -1.409 3.284 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.638 -0.260 1.942 1.00 32.71 H new ATOM 998 N LYS A 63 12.924 -4.516 1.929 1.00 11.73 N ATOM 999 CA LYS A 63 12.547 -5.994 1.876 1.00 11.97 C ATOM 1000 C LYS A 63 11.855 -6.558 3.093 1.00 10.41 C ATOM 1001 O LYS A 63 12.261 -6.305 4.240 1.00 9.59 O ATOM 1002 CB LYS A 63 13.724 -6.905 1.414 1.00 13.73 C ATOM 1003 CG LYS A 63 14.932 -6.822 2.365 1.00 16.98 C ATOM 1004 CD LYS A 63 16.178 -7.510 1.813 1.00 20.19 C ATOM 1005 CE LYS A 63 17.428 -7.329 2.732 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.373 -8.365 2.274 1.00 25.97 N ATOM 0 H LYS A 63 13.834 -4.301 1.521 1.00 11.73 H new ATOM 0 HA LYS A 63 11.777 -6.008 1.105 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.380 -7.938 1.355 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.034 -6.615 0.410 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.160 -5.775 2.562 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.667 -7.276 3.320 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.975 -8.574 1.689 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.400 -7.110 0.823 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.854 -6.331 2.632 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.171 -7.462 3.783 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.244 -8.315 2.840 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.940 -9.304 2.387 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.602 -8.208 1.272 1.00 25.97 H new ATOM 1020 N GLU A 64 10.826 -7.350 2.883 1.00 10.04 N ATOM 1021 CA GLU A 64 10.202 -8.083 3.995 1.00 10.94 C ATOM 1022 C GLU A 64 9.415 -7.214 5.006 1.00 9.74 C ATOM 1023 O GLU A 64 9.371 -7.434 6.187 1.00 9.42 O ATOM 1024 CB GLU A 64 10.959 -9.261 4.658 1.00 18.31 C ATOM 1025 CG GLU A 64 11.451 -10.300 3.628 1.00 24.16 C ATOM 1026 CD GLU A 64 12.039 -11.439 4.320 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.391 -12.109 5.210 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.094 -11.913 3.834 1.00 31.72 O ATOM 0 H GLU A 64 10.399 -7.511 1.971 1.00 10.04 H new ATOM 0 HA GLU A 64 9.466 -8.628 3.404 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.812 -8.873 5.215 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.304 -9.750 5.379 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.620 -10.630 3.005 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.187 -9.847 2.963 1.00 24.16 H new ATOM 1035 N SER A 65 8.665 -6.195 4.517 1.00 6.85 N ATOM 1036 CA SER A 65 7.988 -5.248 5.411 1.00 6.90 C ATOM 1037 C SER A 65 6.553 -5.546 5.481 1.00 4.72 C ATOM 1038 O SER A 65 5.926 -6.159 4.653 1.00 3.91 O ATOM 1039 CB SER A 65 8.111 -3.826 4.835 1.00 7.28 C ATOM 1040 OG SER A 65 9.480 -3.383 4.743 1.00 10.56 O ATOM 0 H SER A 65 8.521 -6.017 3.523 1.00 6.85 H new ATOM 0 HA SER A 65 8.448 -5.328 6.396 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.656 -3.798 3.845 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.550 -3.134 5.463 1.00 7.28 H new ATOM 0 HG SER A 65 9.927 -3.851 4.007 1.00 10.56 H new ATOM 1046 N THR A 66 5.921 -5.052 6.564 1.00 4.48 N ATOM 1047 CA THR A 66 4.430 -5.060 6.564 1.00 3.80 C ATOM 1048 C THR A 66 3.945 -3.648 6.239 1.00 4.60 C ATOM 1049 O THR A 66 4.404 -2.664 6.809 1.00 5.33 O ATOM 1050 CB THR A 66 3.835 -5.437 7.897 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.249 -6.705 8.324 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.301 -5.446 7.766 1.00 3.40 C ATOM 0 H THR A 66 6.370 -4.668 7.395 1.00 4.48 H new ATOM 0 HA THR A 66 4.115 -5.802 5.830 1.00 3.80 H new ATOM 0 HB THR A 66 4.173 -4.706 8.631 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.841 -6.907 9.192 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.856 -5.717 8.723 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.955 -4.455 7.473 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.005 -6.172 7.009 1.00 3.40 H new ATOM 1060 N LEU A 67 2.991 -3.572 5.332 1.00 4.17 N ATOM 1061 CA LEU A 67 2.261 -2.340 5.070 1.00 3.85 C ATOM 1062 C LEU A 67 0.934 -2.530 5.577 1.00 3.80 C ATOM 1063 O LEU A 67 0.342 -3.599 5.448 1.00 5.54 O ATOM 1064 CB LEU A 67 2.175 -2.148 3.498 1.00 7.18 C ATOM 1065 CG LEU A 67 3.205 -1.118 2.926 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.644 -1.560 3.268 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.931 -0.714 1.423 1.00 11.66 C ATOM 0 H LEU A 67 2.698 -4.360 4.755 1.00 4.17 H new ATOM 0 HA LEU A 67 2.743 -1.477 5.530 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.334 -3.112 3.015 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.168 -1.823 3.236 1.00 7.18 H new ATOM 0 HG LEU A 67 3.065 -0.162 3.431 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.352 -0.836 2.865 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.760 -1.617 4.350 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.838 -2.539 2.830 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.685 0.002 1.096 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.977 -1.602 0.793 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.942 -0.263 1.342 1.00 11.66 H new ATOM 1079 N HIS A 68 0.309 -1.505 6.185 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.078 -1.534 6.690 1.00 4.17 C ATOM 1081 C HIS A 68 -2.052 -0.915 5.633 1.00 5.32 C ATOM 1082 O HIS A 68 -1.811 0.112 4.982 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.317 -1.049 8.129 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.180 -1.373 9.031 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.987 -0.674 8.963 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.034 -2.482 9.802 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.888 -1.368 9.724 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.376 -2.512 10.226 1.00 16.30 N ATOM 0 H HIS A 68 0.767 -0.608 6.344 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.312 -2.592 6.808 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.478 0.029 8.124 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.227 -1.506 8.517 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.155 0.191 8.449 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.713 -3.222 10.048 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.900 -1.036 9.904 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.218 -1.586 5.377 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.194 -1.100 4.413 1.00 3.97 C ATOM 1098 C LEU A 69 -5.465 -0.755 5.165 1.00 5.07 C ATOM 1099 O LEU A 69 -5.962 -1.561 5.943 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.476 -2.167 3.251 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.650 -1.890 2.281 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.384 -0.607 1.484 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.901 -3.027 1.361 1.00 9.96 C ATOM 0 H LEU A 69 -3.481 -2.458 5.835 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.800 -0.214 3.916 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.567 -2.262 2.657 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.652 -3.134 3.721 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.548 -1.762 2.885 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.216 -0.422 0.805 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.282 0.233 2.171 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.465 -0.720 0.909 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.734 -2.784 0.701 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.008 -3.216 0.765 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.146 -3.917 1.941 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.960 0.458 4.907 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.154 0.944 5.550 1.00 6.26 C ATOM 1117 C VAL A 70 -8.117 1.151 4.439 1.00 9.22 C ATOM 1118 O VAL A 70 -7.851 1.821 3.432 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.891 2.208 6.363 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.205 2.961 6.764 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.147 1.882 7.648 1.00 8.54 C ATOM 0 H VAL A 70 -5.539 1.116 4.251 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.546 0.242 6.286 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.295 2.850 5.714 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.953 3.851 7.340 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.746 3.253 5.864 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.831 2.304 7.367 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.972 2.800 8.210 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.744 1.197 8.250 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.192 1.416 7.407 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.290 0.577 4.620 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.322 0.742 3.590 1.00 16.06 C ATOM 1133 C LEU A 71 -11.199 1.979 3.853 1.00 18.09 C ATOM 1134 O LEU A 71 -11.645 2.335 4.962 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.268 -0.527 3.537 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.447 -0.478 2.439 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.938 -0.516 1.003 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.416 -1.618 2.679 1.00 19.57 C ATOM 0 H LEU A 71 -9.555 0.015 5.429 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.798 0.866 2.642 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.654 -1.407 3.344 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.718 -0.662 4.520 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.952 0.480 2.561 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.784 -0.480 0.316 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.289 0.341 0.824 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.377 -1.436 0.840 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.212 -1.582 1.935 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.887 -2.568 2.599 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.847 -1.525 3.676 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.441 2.776 2.868 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.002 4.129 3.008 1.00 25.83 C ATOM 1152 C ARG A 72 -13.300 4.143 2.312 1.00 27.74 C ATOM 1153 O ARG A 72 -13.419 3.589 1.218 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.928 5.118 2.417 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.481 6.566 2.187 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.527 7.370 1.280 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.075 8.779 1.196 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.368 9.820 0.738 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.139 9.610 0.273 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.795 11.071 0.968 1.00 35.02 N ATOM 0 H ARG A 72 -11.256 2.519 1.898 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.200 4.436 4.035 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.076 5.165 3.095 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.561 4.722 1.470 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.470 6.516 1.731 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.597 7.074 3.144 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.517 7.373 1.690 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.467 6.920 0.289 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.033 8.944 1.505 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.749 8.667 0.269 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.587 10.392 -0.080 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.657 11.228 1.491 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.258 11.865 0.620 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.317 4.808 2.930 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.510 5.130 2.198 1.00 30.76 C ATOM 1176 C LEU A 73 -15.313 6.054 0.942 1.00 32.18 C ATOM 1177 O LEU A 73 -14.639 7.087 1.025 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.554 5.845 3.088 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.628 5.325 4.533 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.735 6.100 5.367 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.794 3.831 4.635 1.00 29.11 C ATOM 0 H LEU A 73 -14.309 5.111 3.904 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.844 4.149 1.859 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.324 6.910 3.111 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.537 5.741 2.628 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.656 5.537 4.977 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.763 5.710 6.384 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.494 7.163 5.392 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.709 5.960 4.897 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.838 3.541 5.685 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.716 3.533 4.137 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.948 3.337 4.157 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.896 5.670 -0.193 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.656 6.291 -1.459 1.00 35.33 C ATOM 1195 C ARG A 74 -16.112 7.677 -1.459 1.00 36.22 C ATOM 1196 O ARG A 74 -15.473 8.496 -2.082 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.267 5.459 -2.650 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.509 5.703 -4.020 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.999 4.794 -5.168 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.076 5.049 -6.377 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.876 4.107 -7.285 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.406 2.869 -7.218 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.121 4.334 -8.362 1.00 41.93 N ATOM 0 H ARG A 74 -16.561 4.898 -0.240 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.578 6.306 -1.620 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.230 4.398 -2.403 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.318 5.722 -2.769 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.634 6.745 -4.314 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.442 5.540 -3.869 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.963 3.746 -4.871 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.035 5.018 -5.421 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.615 5.953 -6.478 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.002 2.611 -6.432 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.211 2.190 -7.954 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.686 5.247 -8.497 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.979 3.595 -9.050 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.224 8.021 -0.842 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.727 9.410 -0.722 1.00 36.07 C ATOM 1219 C GLY A 75 -16.969 10.170 0.375 1.00 36.16 C ATOM 1220 O GLY A 75 -17.193 11.370 0.514 1.00 36.26 O ATOM 0 H GLY A 75 -17.833 7.337 -0.392 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.612 9.927 -1.675 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.792 9.397 -0.492 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.105 9.547 1.185 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.400 10.166 2.345 1.00 36.19 C ATOM 1226 C GLY A 76 -13.875 10.191 2.032 1.00 36.20 C ATOM 1227 O GLY A 76 -13.450 10.931 1.078 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.129 9.534 2.817 1.00 0.00 O ATOM 0 H GLY A 76 -15.860 8.565 1.058 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.769 11.177 2.518 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.592 9.596 3.254 1.00 36.19 H new TER 1232 GLY A 76