USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot -50:sc= 1.32 USER MOD Set 1.2: A 57 SER OG : rot -26:sc= 0.298 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.118 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0978 K(o=0.02,f=-2.5!) USER MOD Set 3.1: A 7 THR OG1 : rot 160:sc= 0.341 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -125:sc= 1.11 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.944 USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.269) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.31 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 2.15 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.985) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.696 K(o=-0.7,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 0.164 K(o=0.16,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.847) USER MOD Single : A 49 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.746 USER MOD Single : A 60 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.021) USER MOD Single : A 62 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.28 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=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.675 -6.734 -4.657 1.00 9.67 N ATOM 2 CA MET A 1 11.555 -6.604 -3.234 1.00 10.38 C ATOM 3 C MET A 1 10.242 -7.106 -2.703 1.00 9.62 C ATOM 4 O MET A 1 9.201 -6.713 -3.234 1.00 9.62 O ATOM 5 CB MET A 1 11.843 -5.172 -2.823 1.00 13.77 C ATOM 6 CG MET A 1 12.119 -4.945 -1.367 1.00 16.29 C ATOM 7 SD MET A 1 12.474 -3.162 -0.957 1.00 17.17 S ATOM 8 CE MET A 1 10.795 -2.543 -0.858 1.00 16.11 C ATOM 0 H1 MET A 1 12.673 -6.633 -4.932 1.00 9.67 H new ATOM 0 H2 MET A 1 11.328 -7.669 -4.951 1.00 9.67 H new ATOM 0 H3 MET A 1 11.111 -5.994 -5.122 1.00 9.67 H new ATOM 0 HA MET A 1 12.303 -7.251 -2.775 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.701 -4.818 -3.394 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.992 -4.555 -3.111 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.261 -5.281 -0.784 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.969 -5.557 -1.065 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.694 -1.662 -1.492 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.102 -3.314 -1.195 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.566 -2.275 0.174 1.00 16.11 H new ATOM 20 N GLN A 2 10.238 -7.939 -1.629 1.00 9.27 N ATOM 21 CA GLN A 2 9.035 -8.466 -1.038 1.00 9.07 C ATOM 22 C GLN A 2 8.449 -7.579 0.151 1.00 8.72 C ATOM 23 O GLN A 2 9.217 -6.949 0.895 1.00 8.22 O ATOM 24 CB GLN A 2 9.352 -9.896 -0.483 1.00 14.46 C ATOM 25 CG GLN A 2 8.251 -10.769 0.075 1.00 17.01 C ATOM 26 CD GLN A 2 8.801 -12.169 0.515 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.458 -12.251 1.561 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.560 -13.178 -0.324 1.00 19.49 N ATOM 0 H GLN A 2 11.091 -8.251 -1.164 1.00 9.27 H new ATOM 0 HA GLN A 2 8.275 -8.476 -1.820 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.827 -10.455 -1.289 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.097 -9.777 0.304 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.788 -10.273 0.928 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.473 -10.902 -0.677 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.007 -13.020 -1.166 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.929 -14.107 -0.123 1.00 19.49 H new ATOM 37 N ILE A 3 7.055 -7.540 0.289 1.00 5.87 N ATOM 38 CA ILE A 3 6.345 -6.767 1.247 1.00 5.07 C ATOM 39 C ILE A 3 5.157 -7.636 1.538 1.00 4.01 C ATOM 40 O ILE A 3 4.784 -8.533 0.799 1.00 4.61 O ATOM 41 CB ILE A 3 5.934 -5.374 0.899 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.067 -5.317 -0.364 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.258 -4.517 0.769 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.313 -3.999 -0.596 1.00 10.83 C ATOM 0 H ILE A 3 6.437 -8.085 -0.312 1.00 5.87 H new ATOM 0 HA ILE A 3 7.009 -6.544 2.082 1.00 5.07 H new ATOM 0 HB ILE A 3 5.298 -4.962 1.682 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.704 -5.507 -1.228 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.339 -6.127 -0.320 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.002 -3.488 0.515 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.796 -4.533 1.717 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.889 -4.938 -0.014 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.732 -4.069 -1.516 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.643 -3.811 0.243 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.028 -3.181 -0.680 1.00 10.83 H new ATOM 56 N PHE A 4 4.608 -7.426 2.755 1.00 4.55 N ATOM 57 CA PHE A 4 3.335 -7.971 3.223 1.00 4.68 C ATOM 58 C PHE A 4 2.387 -6.787 3.295 1.00 5.30 C ATOM 59 O PHE A 4 2.751 -5.730 3.779 1.00 5.58 O ATOM 60 CB PHE A 4 3.407 -8.538 4.691 1.00 4.83 C ATOM 61 CG PHE A 4 4.574 -9.523 4.723 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.454 -10.681 3.935 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.769 -9.312 5.389 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.524 -11.593 3.827 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.822 -10.224 5.357 1.00 10.61 C ATOM 66 CZ PHE A 4 6.689 -11.401 4.580 1.00 8.90 C ATOM 0 H PHE A 4 5.066 -6.847 3.459 1.00 4.55 H new ATOM 0 HA PHE A 4 3.038 -8.777 2.553 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.560 -7.733 5.410 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.474 -9.034 4.961 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.532 -10.874 3.407 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.890 -8.402 5.958 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.445 -12.441 3.163 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.726 -10.036 5.916 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.476 -12.141 4.568 1.00 8.90 H new ATOM 76 N VAL A 5 1.187 -7.050 2.780 1.00 4.44 N ATOM 77 CA VAL A 5 0.121 -6.099 2.803 1.00 3.87 C ATOM 78 C VAL A 5 -0.919 -6.722 3.699 1.00 4.93 C ATOM 79 O VAL A 5 -1.088 -7.928 3.644 1.00 6.84 O ATOM 80 CB VAL A 5 -0.465 -5.643 1.432 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.665 -4.629 1.586 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.624 -5.010 0.570 1.00 9.13 C ATOM 0 H VAL A 5 0.944 -7.937 2.338 1.00 4.44 H new ATOM 0 HA VAL A 5 0.508 -5.147 3.167 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.851 -6.540 0.948 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.032 -4.347 0.599 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.469 -5.100 2.151 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.324 -3.739 2.114 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.198 -4.697 -0.383 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.037 -4.142 1.085 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.416 -5.737 0.392 1.00 9.13 H new ATOM 92 N LYS A 6 -1.626 -5.921 4.539 1.00 6.04 N ATOM 93 CA LYS A 6 -2.382 -6.409 5.624 1.00 6.12 C ATOM 94 C LYS A 6 -3.719 -5.706 5.771 1.00 6.57 C ATOM 95 O LYS A 6 -3.792 -4.479 5.933 1.00 5.76 O ATOM 96 CB LYS A 6 -1.571 -6.281 6.905 1.00 7.45 C ATOM 97 CG LYS A 6 -2.147 -7.031 8.111 1.00 11.12 C ATOM 98 CD LYS A 6 -2.146 -8.548 7.934 1.00 14.54 C ATOM 99 CE LYS A 6 -2.395 -9.357 9.233 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.061 -10.817 8.996 1.00 20.55 N ATOM 0 H LYS A 6 -1.659 -4.906 4.443 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.603 -7.458 5.426 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.561 -6.646 6.717 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.485 -5.225 7.160 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.569 -6.775 8.999 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.168 -6.693 8.287 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.911 -8.815 7.205 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.187 -8.850 7.514 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.783 -8.961 10.043 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.436 -9.257 9.542 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.882 -11.406 9.243 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.822 -10.960 7.994 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.250 -11.088 9.588 1.00 20.55 H new ATOM 114 N THR A 7 -4.821 -6.412 5.788 1.00 7.41 N ATOM 115 CA THR A 7 -6.168 -5.856 5.732 1.00 7.48 C ATOM 116 C THR A 7 -6.884 -5.767 7.052 1.00 8.75 C ATOM 117 O THR A 7 -6.432 -6.409 7.994 1.00 8.58 O ATOM 118 CB THR A 7 -6.990 -6.635 4.732 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.458 -7.889 5.164 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.272 -6.859 3.427 1.00 9.17 C ATOM 0 H THR A 7 -4.815 -7.430 5.843 1.00 7.41 H new ATOM 0 HA THR A 7 -6.049 -4.819 5.418 1.00 7.48 H new ATOM 0 HB THR A 7 -7.851 -5.979 4.604 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.216 -8.165 4.607 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.914 -7.424 2.751 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.028 -5.897 2.976 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.354 -7.418 3.608 1.00 9.17 H new ATOM 128 N LEU A 8 -8.006 -4.968 7.171 1.00 9.84 N ATOM 129 CA LEU A 8 -8.813 -4.767 8.382 1.00 14.15 C ATOM 130 C LEU A 8 -9.597 -5.959 8.771 1.00 17.37 C ATOM 131 O LEU A 8 -10.124 -6.109 9.939 1.00 17.01 O ATOM 132 CB LEU A 8 -9.843 -3.600 8.122 1.00 16.63 C ATOM 133 CG LEU A 8 -9.078 -2.280 7.906 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.063 -1.307 7.192 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.595 -1.584 9.169 1.00 18.59 C ATOM 0 H LEU A 8 -8.366 -4.436 6.379 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.112 -4.542 9.186 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.453 -3.827 7.248 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.523 -3.505 8.969 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.181 -2.529 7.339 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.567 -0.352 7.015 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.373 -1.737 6.239 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.939 -1.150 7.821 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.070 -0.667 8.901 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.450 -1.342 9.801 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.918 -2.244 9.712 1.00 18.59 H new ATOM 147 N THR A 9 -9.781 -6.945 7.856 1.00 18.33 N ATOM 148 CA THR A 9 -10.276 -8.234 8.209 1.00 19.24 C ATOM 149 C THR A 9 -9.163 -9.239 8.350 1.00 19.48 C ATOM 150 O THR A 9 -9.440 -10.419 8.515 1.00 23.14 O ATOM 151 CB THR A 9 -11.283 -8.755 7.193 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.778 -8.727 5.820 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.561 -7.920 7.334 1.00 19.70 C ATOM 0 H THR A 9 -9.581 -6.835 6.862 1.00 18.33 H new ATOM 0 HA THR A 9 -10.774 -8.111 9.171 1.00 19.24 H new ATOM 0 HB THR A 9 -11.484 -9.806 7.401 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.464 -9.073 5.212 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.305 -8.269 6.618 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.954 -8.024 8.345 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.334 -6.872 7.139 1.00 19.70 H new ATOM 161 N GLY A 10 -7.868 -8.864 8.382 1.00 19.43 N ATOM 162 CA GLY A 10 -6.770 -9.810 8.615 1.00 18.74 C ATOM 163 C GLY A 10 -6.040 -10.477 7.520 1.00 17.62 C ATOM 164 O GLY A 10 -5.197 -11.310 7.833 1.00 19.74 O ATOM 0 H GLY A 10 -7.560 -7.901 8.247 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.024 -9.279 9.206 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.172 -10.602 9.247 1.00 18.74 H new ATOM 168 N LYS A 11 -6.347 -10.229 6.265 1.00 13.56 N ATOM 169 CA LYS A 11 -5.795 -10.917 5.143 1.00 11.91 C ATOM 170 C LYS A 11 -4.350 -10.482 4.867 1.00 10.18 C ATOM 171 O LYS A 11 -3.989 -9.305 4.870 1.00 9.10 O ATOM 172 CB LYS A 11 -6.673 -10.730 3.852 1.00 13.43 C ATOM 173 CG LYS A 11 -6.056 -11.231 2.550 1.00 16.69 C ATOM 174 CD LYS A 11 -7.058 -11.090 1.393 1.00 17.92 C ATOM 175 CE LYS A 11 -6.388 -11.278 0.041 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.502 -11.045 -0.964 1.00 21.93 N ATOM 0 H LYS A 11 -7.019 -9.509 5.999 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.791 -11.976 5.400 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.622 -11.244 4.004 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.899 -9.670 3.740 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.152 -10.665 2.327 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.760 -12.275 2.658 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.854 -11.825 1.510 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.525 -10.106 1.434 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.571 -10.571 -0.100 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.965 -12.278 -0.058 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.115 -10.578 -1.809 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.922 -11.957 -1.234 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.233 -10.440 -0.538 1.00 21.93 H new ATOM 190 N THR A 12 -3.446 -11.476 4.705 1.00 9.63 N ATOM 191 CA THR A 12 -2.057 -11.190 4.425 1.00 9.85 C ATOM 192 C THR A 12 -1.831 -11.346 2.990 1.00 11.66 C ATOM 193 O THR A 12 -2.147 -12.337 2.370 1.00 12.33 O ATOM 194 CB THR A 12 -0.965 -11.996 5.245 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.314 -12.050 6.635 1.00 10.91 O ATOM 196 CG2 THR A 12 0.428 -11.330 5.038 1.00 9.63 C ATOM 0 H THR A 12 -3.670 -12.469 4.766 1.00 9.63 H new ATOM 0 HA THR A 12 -1.909 -10.166 4.767 1.00 9.85 H new ATOM 0 HB THR A 12 -0.922 -13.022 4.880 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.630 -12.552 7.125 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.182 -11.881 5.600 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.684 -11.343 3.979 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.394 -10.299 5.390 1.00 9.63 H new ATOM 204 N ILE A 13 -1.186 -10.347 2.323 1.00 10.42 N ATOM 205 CA ILE A 13 -0.897 -10.397 0.926 1.00 11.84 C ATOM 206 C ILE A 13 0.548 -10.195 0.759 1.00 10.55 C ATOM 207 O ILE A 13 1.080 -9.095 1.034 1.00 11.92 O ATOM 208 CB ILE A 13 -1.670 -9.349 0.099 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.123 -9.276 0.530 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.679 -9.824 -1.338 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.947 -8.062 0.021 1.00 16.46 C ATOM 0 H ILE A 13 -0.864 -9.492 2.777 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.217 -11.369 0.551 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.194 -8.377 0.232 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.621 -10.187 0.199 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.154 -9.274 1.620 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.219 -9.106 -1.955 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.654 -9.914 -1.698 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.171 -10.795 -1.397 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.967 -8.130 0.400 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.489 -7.138 0.374 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.964 -8.065 -1.069 1.00 16.46 H new ATOM 223 N THR A 14 1.307 -11.164 0.277 1.00 9.39 N ATOM 224 CA THR A 14 2.706 -10.965 -0.084 1.00 9.63 C ATOM 225 C THR A 14 2.815 -10.367 -1.468 1.00 11.20 C ATOM 226 O THR A 14 2.419 -10.939 -2.449 1.00 11.63 O ATOM 227 CB THR A 14 3.519 -12.250 -0.155 1.00 10.38 C ATOM 228 OG1 THR A 14 3.270 -13.143 0.909 1.00 16.30 O ATOM 229 CG2 THR A 14 5.041 -11.945 -0.194 1.00 11.66 C ATOM 0 H THR A 14 0.972 -12.115 0.123 1.00 9.39 H new ATOM 0 HA THR A 14 3.095 -10.320 0.704 1.00 9.63 H new ATOM 0 HB THR A 14 3.198 -12.735 -1.077 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.823 -13.945 0.799 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.598 -12.880 -0.245 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.268 -11.339 -1.071 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.326 -11.401 0.706 1.00 11.66 H new ATOM 237 N LEU A 15 3.366 -9.135 -1.649 1.00 8.29 N ATOM 238 CA LEU A 15 3.551 -8.554 -2.969 1.00 9.03 C ATOM 239 C LEU A 15 4.998 -8.318 -3.332 1.00 8.59 C ATOM 240 O LEU A 15 5.872 -8.182 -2.485 1.00 7.79 O ATOM 241 CB LEU A 15 2.804 -7.200 -3.184 1.00 11.08 C ATOM 242 CG LEU A 15 1.232 -7.260 -3.054 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.625 -5.880 -3.124 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.684 -8.181 -4.241 1.00 15.27 C ATOM 0 H LEU A 15 3.684 -8.540 -0.884 1.00 8.29 H new ATOM 0 HA LEU A 15 3.120 -9.317 -3.617 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.183 -6.478 -2.461 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.054 -6.821 -4.175 1.00 11.08 H new ATOM 0 HG LEU A 15 0.953 -7.678 -2.087 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.459 -5.954 -3.032 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.018 -5.268 -2.312 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.877 -5.420 -4.079 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.403 -8.244 -4.181 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.970 -7.748 -5.199 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.111 -9.180 -4.153 1.00 15.27 H new ATOM 256 N GLU A 16 5.234 -8.248 -4.659 1.00 11.04 N ATOM 257 CA GLU A 16 6.617 -7.933 -5.088 1.00 11.50 C ATOM 258 C GLU A 16 6.637 -6.534 -5.668 1.00 10.13 C ATOM 259 O GLU A 16 5.893 -6.190 -6.606 1.00 9.83 O ATOM 260 CB GLU A 16 7.162 -8.851 -6.179 1.00 17.22 C ATOM 261 CG GLU A 16 8.682 -8.722 -6.409 1.00 23.33 C ATOM 262 CD GLU A 16 9.531 -9.528 -5.397 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.035 -10.540 -4.780 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.653 -9.055 -5.179 1.00 28.90 O ATOM 0 H GLU A 16 4.549 -8.392 -5.401 1.00 11.04 H new ATOM 0 HA GLU A 16 7.236 -8.054 -4.199 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.931 -9.884 -5.919 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.644 -8.634 -7.113 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.918 -9.058 -7.418 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.962 -7.670 -6.350 1.00 23.33 H new ATOM 271 N VAL A 17 7.512 -5.618 -5.192 1.00 8.99 N ATOM 272 CA VAL A 17 7.685 -4.278 -5.594 1.00 8.85 C ATOM 273 C VAL A 17 9.118 -3.890 -5.754 1.00 8.04 C ATOM 274 O VAL A 17 9.979 -4.623 -5.324 1.00 8.99 O ATOM 275 CB VAL A 17 7.094 -3.391 -4.464 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.563 -3.572 -4.429 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.725 -3.720 -3.076 1.00 10.54 C ATOM 0 H VAL A 17 8.160 -5.864 -4.444 1.00 8.99 H new ATOM 0 HA VAL A 17 7.198 -4.150 -6.561 1.00 8.85 H new ATOM 0 HB VAL A 17 7.335 -2.350 -4.678 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.141 -2.952 -3.638 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.139 -3.274 -5.388 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.325 -4.618 -4.236 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.284 -3.077 -2.314 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.532 -4.763 -2.827 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.801 -3.550 -3.116 1.00 10.54 H new ATOM 287 N GLU A 18 9.405 -2.755 -6.325 1.00 7.29 N ATOM 288 CA GLU A 18 10.725 -2.164 -6.322 1.00 7.08 C ATOM 289 C GLU A 18 10.801 -0.937 -5.466 1.00 6.45 C ATOM 290 O GLU A 18 9.700 -0.389 -5.192 1.00 5.28 O ATOM 291 CB GLU A 18 11.307 -1.891 -7.773 1.00 10.28 C ATOM 292 CG GLU A 18 11.505 -3.187 -8.607 1.00 12.65 C ATOM 293 CD GLU A 18 12.445 -2.936 -9.752 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.656 -2.832 -9.499 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.983 -2.945 -10.919 1.00 14.33 O ATOM 0 H GLU A 18 8.712 -2.195 -6.821 1.00 7.29 H new ATOM 0 HA GLU A 18 11.369 -2.921 -5.874 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.633 -1.222 -8.308 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.263 -1.375 -7.683 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.900 -3.979 -7.971 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.544 -3.533 -8.987 1.00 12.65 H new ATOM 302 N PRO A 19 11.914 -0.396 -4.936 1.00 7.24 N ATOM 303 CA PRO A 19 11.892 0.871 -4.149 1.00 7.07 C ATOM 304 C PRO A 19 11.417 2.127 -4.899 1.00 6.65 C ATOM 305 O PRO A 19 10.983 3.053 -4.259 1.00 6.37 O ATOM 306 CB PRO A 19 13.364 0.954 -3.786 1.00 7.61 C ATOM 307 CG PRO A 19 13.725 -0.496 -3.552 1.00 8.16 C ATOM 308 CD PRO A 19 13.119 -1.165 -4.711 1.00 7.49 C ATOM 0 HA PRO A 19 11.177 0.848 -3.327 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.956 1.395 -4.588 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.529 1.562 -2.897 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.804 -0.645 -3.516 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.320 -0.868 -2.611 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.778 -1.146 -5.579 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.897 -2.212 -4.503 1.00 7.49 H new ATOM 316 N SER A 20 11.559 2.055 -6.282 1.00 6.80 N ATOM 317 CA SER A 20 11.127 3.008 -7.300 1.00 6.28 C ATOM 318 C SER A 20 9.707 3.038 -7.736 1.00 8.45 C ATOM 319 O SER A 20 9.240 3.984 -8.440 1.00 7.26 O ATOM 320 CB SER A 20 11.953 2.894 -8.618 1.00 8.57 C ATOM 321 OG SER A 20 11.924 1.602 -9.148 1.00 11.13 O ATOM 0 H SER A 20 12.020 1.251 -6.708 1.00 6.80 H new ATOM 0 HA SER A 20 11.295 3.921 -6.729 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.559 3.596 -9.353 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.986 3.182 -8.424 1.00 8.57 H new ATOM 0 HG SER A 20 12.452 1.575 -9.973 1.00 11.13 H new ATOM 327 N ASP A 21 8.927 2.005 -7.413 1.00 7.50 N ATOM 328 CA ASP A 21 7.520 1.983 -7.599 1.00 7.70 C ATOM 329 C ASP A 21 6.838 3.059 -6.871 1.00 7.08 C ATOM 330 O ASP A 21 7.430 3.561 -5.942 1.00 8.11 O ATOM 331 CB ASP A 21 6.892 0.634 -7.248 1.00 11.00 C ATOM 332 CG ASP A 21 7.158 -0.464 -8.299 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.215 -0.158 -9.505 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.271 -1.650 -7.869 1.00 14.36 O ATOM 0 H ASP A 21 9.293 1.145 -7.003 1.00 7.50 H new ATOM 0 HA ASP A 21 7.376 2.149 -8.667 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.278 0.303 -6.284 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.816 0.763 -7.134 1.00 11.00 H new ATOM 339 N THR A 22 5.630 3.606 -7.346 1.00 5.37 N ATOM 340 CA THR A 22 4.943 4.644 -6.650 1.00 6.01 C ATOM 341 C THR A 22 3.946 4.049 -5.727 1.00 8.01 C ATOM 342 O THR A 22 3.524 2.938 -5.896 1.00 8.11 O ATOM 343 CB THR A 22 4.198 5.635 -7.551 1.00 8.92 C ATOM 344 OG1 THR A 22 3.385 5.016 -8.517 1.00 10.22 O ATOM 345 CG2 THR A 22 5.175 6.533 -8.336 1.00 9.65 C ATOM 0 H THR A 22 5.171 3.304 -8.205 1.00 5.37 H new ATOM 0 HA THR A 22 5.722 5.199 -6.128 1.00 6.01 H new ATOM 0 HB THR A 22 3.582 6.209 -6.859 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.938 5.701 -9.056 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.611 7.223 -8.964 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.790 7.099 -7.637 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.816 5.913 -8.963 1.00 9.65 H new ATOM 353 N ILE A 23 3.597 4.827 -4.663 1.00 8.32 N ATOM 354 CA ILE A 23 2.588 4.353 -3.707 1.00 9.92 C ATOM 355 C ILE A 23 1.326 4.066 -4.414 1.00 10.01 C ATOM 356 O ILE A 23 0.777 3.075 -4.106 1.00 8.71 O ATOM 357 CB ILE A 23 2.385 5.411 -2.604 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.784 5.698 -1.951 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.301 4.937 -1.593 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.549 4.543 -1.386 1.00 12.30 C ATOM 0 H ILE A 23 3.989 5.747 -4.461 1.00 8.32 H new ATOM 0 HA ILE A 23 2.928 3.430 -3.237 1.00 9.92 H new ATOM 0 HB ILE A 23 2.007 6.349 -3.010 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.411 6.177 -2.703 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.636 6.423 -1.151 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.169 5.694 -0.820 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.357 4.784 -2.117 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.617 4.001 -1.133 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.492 4.899 -0.972 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.963 4.069 -0.599 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.750 3.819 -2.175 1.00 12.30 H new ATOM 372 N GLU A 24 0.871 4.945 -5.367 1.00 9.54 N ATOM 373 CA GLU A 24 -0.297 4.702 -6.264 1.00 11.81 C ATOM 374 C GLU A 24 -0.226 3.450 -7.142 1.00 11.14 C ATOM 375 O GLU A 24 -1.164 2.671 -7.155 1.00 10.62 O ATOM 376 CB GLU A 24 -0.615 5.917 -7.110 1.00 19.24 C ATOM 377 CG GLU A 24 -1.602 5.693 -8.271 1.00 27.76 C ATOM 378 CD GLU A 24 -1.994 7.030 -8.885 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.422 8.059 -8.211 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.691 7.183 -10.117 1.00 36.51 O ATOM 0 H GLU A 24 1.314 5.849 -5.530 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.111 4.508 -5.565 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.020 6.692 -6.459 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.318 6.302 -7.522 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.147 5.055 -9.028 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.490 5.175 -7.910 1.00 27.76 H new ATOM 387 N ASN A 25 0.934 3.131 -7.755 1.00 9.43 N ATOM 388 CA ASN A 25 1.215 1.884 -8.497 1.00 10.96 C ATOM 389 C ASN A 25 1.209 0.625 -7.693 1.00 9.68 C ATOM 390 O ASN A 25 0.783 -0.425 -8.145 1.00 9.33 O ATOM 391 CB ASN A 25 2.577 1.988 -9.337 1.00 16.78 C ATOM 392 CG ASN A 25 2.319 2.921 -10.538 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.141 3.270 -10.809 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.369 3.263 -11.291 1.00 24.70 N ATOM 0 H ASN A 25 1.735 3.763 -7.746 1.00 9.43 H new ATOM 0 HA ASN A 25 0.362 1.798 -9.170 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.381 2.380 -8.714 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.891 1.002 -9.680 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.234 3.832 -12.127 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.306 2.955 -11.030 1.00 24.70 H new ATOM 401 N VAL A 26 1.616 0.649 -6.379 1.00 6.52 N ATOM 402 CA VAL A 26 1.559 -0.514 -5.478 1.00 5.53 C ATOM 403 C VAL A 26 0.047 -0.817 -5.069 1.00 4.42 C ATOM 404 O VAL A 26 -0.366 -1.959 -4.853 1.00 3.40 O ATOM 405 CB VAL A 26 2.489 -0.330 -4.257 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.406 -1.508 -3.311 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.923 -0.326 -4.849 1.00 8.12 C ATOM 0 H VAL A 26 1.990 1.486 -5.933 1.00 6.52 H new ATOM 0 HA VAL A 26 1.934 -1.390 -6.007 1.00 5.53 H new ATOM 0 HB VAL A 26 2.219 0.571 -3.707 1.00 3.86 H new ATOM 0 HG11 VAL A 26 3.073 -1.343 -2.465 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.383 -1.614 -2.951 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.702 -2.417 -3.835 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.648 -0.199 -4.045 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.109 -1.271 -5.359 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.021 0.495 -5.559 1.00 8.12 H new ATOM 417 N LYS A 27 -0.818 0.248 -5.044 1.00 2.64 N ATOM 418 CA LYS A 27 -2.274 0.154 -4.882 1.00 4.14 C ATOM 419 C LYS A 27 -2.944 -0.523 -6.106 1.00 5.58 C ATOM 420 O LYS A 27 -3.936 -1.236 -5.951 1.00 4.11 O ATOM 421 CB LYS A 27 -2.895 1.566 -4.555 1.00 3.97 C ATOM 422 CG LYS A 27 -2.516 2.060 -3.206 1.00 7.45 C ATOM 423 CD LYS A 27 -3.261 3.240 -2.601 1.00 9.02 C ATOM 424 CE LYS A 27 -3.041 4.508 -3.388 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.037 5.484 -2.800 1.00 15.47 N ATOM 0 H LYS A 27 -0.495 1.211 -5.140 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.479 -0.491 -4.028 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.568 2.285 -5.306 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.981 1.505 -4.623 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.613 1.224 -2.514 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.459 2.325 -3.241 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.327 3.016 -2.564 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.931 3.389 -1.573 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.018 4.870 -3.283 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.216 4.352 -4.452 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.217 6.249 -3.481 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.928 4.989 -2.593 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.652 5.886 -1.922 1.00 15.47 H new ATOM 439 N ALA A 28 -2.372 -0.412 -7.350 1.00 6.61 N ATOM 440 CA ALA A 28 -2.958 -1.118 -8.512 1.00 7.74 C ATOM 441 C ALA A 28 -2.708 -2.638 -8.407 1.00 9.17 C ATOM 442 O ALA A 28 -3.598 -3.455 -8.730 1.00 11.45 O ATOM 443 CB ALA A 28 -2.452 -0.528 -9.865 1.00 7.68 C ATOM 0 H ALA A 28 -1.539 0.140 -7.557 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.036 -0.960 -8.495 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.906 -1.074 -10.692 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.729 0.524 -9.929 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.367 -0.622 -9.920 1.00 7.68 H new ATOM 449 N LYS A 29 -1.536 -3.085 -7.896 1.00 8.96 N ATOM 450 CA LYS A 29 -1.208 -4.426 -7.575 1.00 7.90 C ATOM 451 C LYS A 29 -2.171 -5.053 -6.542 1.00 6.92 C ATOM 452 O LYS A 29 -2.616 -6.215 -6.683 1.00 6.87 O ATOM 453 CB LYS A 29 0.224 -4.578 -7.091 1.00 10.28 C ATOM 454 CG LYS A 29 1.345 -4.094 -8.045 1.00 14.94 C ATOM 455 CD LYS A 29 2.686 -4.065 -7.347 1.00 19.69 C ATOM 456 CE LYS A 29 3.807 -3.346 -8.043 1.00 22.63 C ATOM 457 NZ LYS A 29 4.241 -4.006 -9.299 1.00 24.98 N ATOM 0 H LYS A 29 -0.766 -2.446 -7.697 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.317 -4.969 -8.514 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.323 -4.036 -6.150 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.397 -5.632 -6.872 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.398 -4.753 -8.911 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.104 -3.098 -8.417 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.547 -3.607 -6.368 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.000 -5.095 -7.176 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.491 -2.327 -8.267 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.658 -3.274 -7.366 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.015 -3.460 -9.728 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.571 -4.969 -9.089 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.441 -4.051 -9.962 1.00 24.98 H new ATOM 471 N ILE A 30 -2.580 -4.240 -5.516 1.00 4.57 N ATOM 472 CA ILE A 30 -3.560 -4.543 -4.523 1.00 5.58 C ATOM 473 C ILE A 30 -5.016 -4.541 -5.042 1.00 7.26 C ATOM 474 O ILE A 30 -5.907 -5.097 -4.492 1.00 9.46 O ATOM 475 CB ILE A 30 -3.430 -3.571 -3.303 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.071 -3.841 -2.685 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.543 -3.647 -2.230 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.604 -2.701 -1.730 1.00 2.00 C ATOM 0 H ILE A 30 -2.185 -3.308 -5.389 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.348 -5.567 -4.214 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.542 -2.557 -3.687 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.109 -4.779 -2.132 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.335 -3.968 -3.479 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.337 -2.925 -1.440 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.506 -3.419 -2.688 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.572 -4.651 -1.806 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.626 -2.949 -1.318 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.537 -1.766 -2.286 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.322 -2.590 -0.918 1.00 2.00 H new ATOM 490 N GLN A 31 -5.357 -3.846 -6.171 1.00 7.06 N ATOM 491 CA GLN A 31 -6.650 -3.872 -6.796 1.00 8.67 C ATOM 492 C GLN A 31 -6.907 -5.271 -7.340 1.00 10.90 C ATOM 493 O GLN A 31 -8.061 -5.780 -7.146 1.00 9.63 O ATOM 494 CB GLN A 31 -6.717 -2.843 -7.943 1.00 9.12 C ATOM 495 CG GLN A 31 -8.088 -2.878 -8.649 1.00 10.76 C ATOM 496 CD GLN A 31 -8.189 -1.866 -9.718 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.168 -1.376 -10.177 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.428 -1.600 -10.161 1.00 14.76 N ATOM 0 H GLN A 31 -4.694 -3.244 -6.659 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.411 -3.614 -6.060 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.534 -1.843 -7.549 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.928 -3.050 -8.666 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.252 -3.869 -9.072 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.877 -2.710 -7.916 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.233 -2.050 -9.725 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.564 -0.948 -10.933 1.00 14.76 H new ATOM 507 N ASP A 32 -5.858 -5.839 -7.955 1.00 10.93 N ATOM 508 CA ASP A 32 -5.825 -7.130 -8.576 1.00 14.01 C ATOM 509 C ASP A 32 -6.023 -8.260 -7.599 1.00 14.04 C ATOM 510 O ASP A 32 -6.534 -9.308 -7.916 1.00 13.39 O ATOM 511 CB ASP A 32 -4.533 -7.345 -9.426 1.00 18.01 C ATOM 512 CG ASP A 32 -4.757 -8.340 -10.575 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.627 -8.003 -11.394 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.999 -9.376 -10.645 1.00 25.17 O ATOM 0 H ASP A 32 -4.961 -5.359 -8.025 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.677 -7.147 -9.256 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.204 -6.389 -9.834 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.732 -7.709 -8.782 1.00 18.01 H new ATOM 519 N LYS A 33 -5.750 -8.057 -6.273 1.00 14.22 N ATOM 520 CA LYS A 33 -5.801 -9.086 -5.206 1.00 14.00 C ATOM 521 C LYS A 33 -6.975 -8.802 -4.247 1.00 12.37 C ATOM 522 O LYS A 33 -7.226 -9.677 -3.419 1.00 12.17 O ATOM 523 CB LYS A 33 -4.479 -9.133 -4.387 1.00 18.62 C ATOM 524 CG LYS A 33 -3.288 -9.345 -5.215 1.00 24.00 C ATOM 525 CD LYS A 33 -3.172 -10.731 -5.873 1.00 27.61 C ATOM 526 CE LYS A 33 -1.830 -10.986 -6.480 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.825 -12.224 -7.242 1.00 30.06 N ATOM 0 H LYS A 33 -5.481 -7.141 -5.915 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.941 -10.051 -5.694 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.368 -8.199 -3.837 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.546 -9.932 -3.649 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.274 -8.588 -5.999 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.405 -9.181 -4.598 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.377 -11.498 -5.127 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.936 -10.824 -6.645 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.558 -10.154 -7.130 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.076 -11.036 -5.694 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.881 -12.376 -7.652 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.062 -13.019 -6.614 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.529 -12.164 -8.006 1.00 30.06 H new ATOM 541 N GLU A 34 -7.673 -7.642 -4.311 1.00 10.11 N ATOM 542 CA GLU A 34 -8.825 -7.350 -3.424 1.00 10.07 C ATOM 543 C GLU A 34 -10.058 -6.906 -4.059 1.00 9.32 C ATOM 544 O GLU A 34 -11.129 -6.946 -3.436 1.00 11.61 O ATOM 545 CB GLU A 34 -8.363 -6.254 -2.336 1.00 14.77 C ATOM 546 CG GLU A 34 -7.542 -6.934 -1.242 1.00 18.75 C ATOM 547 CD GLU A 34 -8.387 -7.669 -0.203 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.798 -8.839 -0.424 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.738 -7.094 0.858 1.00 21.95 O ATOM 0 H GLU A 34 -7.458 -6.893 -4.969 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.090 -8.312 -2.985 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.772 -5.475 -2.818 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.236 -5.768 -1.901 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.854 -7.642 -1.704 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.934 -6.183 -0.737 1.00 18.75 H new ATOM 556 N GLY A 35 -9.988 -6.488 -5.300 1.00 7.22 N ATOM 557 CA GLY A 35 -11.046 -5.916 -6.088 1.00 6.29 C ATOM 558 C GLY A 35 -11.401 -4.466 -5.728 1.00 6.93 C ATOM 559 O GLY A 35 -12.305 -3.884 -6.346 1.00 7.41 O ATOM 0 H GLY A 35 -9.116 -6.545 -5.825 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.760 -5.956 -7.139 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.938 -6.533 -5.977 1.00 6.29 H new ATOM 563 N ILE A 36 -10.682 -3.757 -4.858 1.00 5.86 N ATOM 564 CA ILE A 36 -10.973 -2.429 -4.402 1.00 6.07 C ATOM 565 C ILE A 36 -10.138 -1.390 -5.236 1.00 6.36 C ATOM 566 O ILE A 36 -8.966 -1.648 -5.479 1.00 6.18 O ATOM 567 CB ILE A 36 -10.638 -2.415 -2.886 1.00 7.47 C ATOM 568 CG1 ILE A 36 -11.432 -3.520 -2.181 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.923 -1.003 -2.311 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.937 -3.815 -0.737 1.00 9.49 C ATOM 0 H ILE A 36 -9.832 -4.132 -4.437 1.00 5.86 H new ATOM 0 HA ILE A 36 -12.017 -2.147 -4.543 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.581 -2.623 -2.718 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -12.483 -3.234 -2.145 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -11.370 -4.434 -2.772 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.689 -0.990 -1.247 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.305 -0.268 -2.828 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.975 -0.757 -2.454 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -11.544 -4.607 -0.299 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.894 -4.132 -0.767 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.025 -2.913 -0.131 1.00 9.49 H new ATOM 582 N PRO A 37 -10.642 -0.262 -5.754 1.00 8.65 N ATOM 583 CA PRO A 37 -9.887 0.430 -6.827 1.00 9.18 C ATOM 584 C PRO A 37 -8.888 1.310 -6.095 1.00 9.85 C ATOM 585 O PRO A 37 -9.139 1.660 -4.918 1.00 8.51 O ATOM 586 CB PRO A 37 -10.946 1.208 -7.512 1.00 11.42 C ATOM 587 CG PRO A 37 -12.123 1.348 -6.480 1.00 9.27 C ATOM 588 CD PRO A 37 -12.049 0.019 -5.704 1.00 8.33 C ATOM 0 HA PRO A 37 -9.341 -0.185 -7.543 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.575 2.187 -7.815 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.280 0.699 -8.416 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.987 2.208 -5.825 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.085 1.474 -6.977 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.411 0.120 -4.681 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.641 -0.765 -6.176 1.00 8.33 H new ATOM 596 N PRO A 38 -7.790 1.739 -6.624 1.00 8.71 N ATOM 597 CA PRO A 38 -6.649 2.221 -5.878 1.00 9.08 C ATOM 598 C PRO A 38 -6.970 3.591 -5.321 1.00 9.28 C ATOM 599 O PRO A 38 -6.200 4.081 -4.506 1.00 6.50 O ATOM 600 CB PRO A 38 -5.470 2.253 -6.910 1.00 10.31 C ATOM 601 CG PRO A 38 -6.257 2.434 -8.269 1.00 10.81 C ATOM 602 CD PRO A 38 -7.497 1.635 -8.055 1.00 12.00 C ATOM 0 HA PRO A 38 -6.386 1.595 -5.026 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -4.780 3.075 -6.721 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.883 1.335 -6.893 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.483 3.482 -8.467 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.683 2.066 -9.119 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.321 2.023 -8.653 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.350 0.596 -8.351 1.00 12.00 H new ATOM 610 N ASP A 39 -8.101 4.211 -5.692 1.00 11.20 N ATOM 611 CA ASP A 39 -8.566 5.537 -5.212 1.00 14.96 C ATOM 612 C ASP A 39 -9.225 5.287 -3.849 1.00 13.99 C ATOM 613 O ASP A 39 -9.199 6.096 -2.902 1.00 13.75 O ATOM 614 CB ASP A 39 -9.705 5.989 -6.294 1.00 24.16 C ATOM 615 CG ASP A 39 -8.979 6.246 -7.562 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.100 7.176 -7.579 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.394 5.592 -8.517 1.00 35.55 O ATOM 0 H ASP A 39 -8.747 3.792 -6.361 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.782 6.289 -5.119 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.453 5.207 -6.424 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.232 6.882 -5.957 1.00 24.16 H new ATOM 622 N GLN A 40 -9.819 4.031 -3.620 1.00 11.60 N ATOM 623 CA GLN A 40 -10.579 3.664 -2.383 1.00 10.76 C ATOM 624 C GLN A 40 -9.687 3.028 -1.347 1.00 8.01 C ATOM 625 O GLN A 40 -10.101 2.770 -0.224 1.00 8.96 O ATOM 626 CB GLN A 40 -11.705 2.666 -2.734 1.00 11.14 C ATOM 627 CG GLN A 40 -12.768 2.492 -1.636 1.00 14.85 C ATOM 628 CD GLN A 40 -13.814 1.422 -1.977 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.859 1.014 -3.153 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.543 0.830 -0.979 1.00 18.16 N ATOM 0 H GLN A 40 -9.769 3.271 -4.298 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.994 4.585 -1.973 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.196 2.999 -3.648 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.259 1.695 -2.947 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.276 2.226 -0.701 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.271 3.445 -1.471 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.485 1.187 -0.025 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.143 0.033 -1.190 1.00 18.16 H new ATOM 639 N GLN A 41 -8.431 2.777 -1.723 1.00 6.52 N ATOM 640 CA GLN A 41 -7.385 2.313 -0.832 1.00 3.87 C ATOM 641 C GLN A 41 -6.415 3.394 -0.392 1.00 4.79 C ATOM 642 O GLN A 41 -6.069 4.291 -1.171 1.00 6.34 O ATOM 643 CB GLN A 41 -6.452 1.363 -1.565 1.00 4.20 C ATOM 644 CG GLN A 41 -7.088 0.132 -2.215 1.00 3.20 C ATOM 645 CD GLN A 41 -6.066 -0.610 -3.046 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.879 -0.339 -2.903 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.506 -1.485 -4.004 1.00 7.13 N ATOM 0 H GLN A 41 -8.113 2.897 -2.685 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.938 1.890 0.007 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.935 1.927 -2.341 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.694 1.021 -0.860 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.489 -0.528 -1.445 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.926 0.436 -2.843 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.502 -1.686 -4.093 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.837 -1.936 -4.629 1.00 7.13 H new ATOM 656 N ARG A 42 -5.987 3.305 0.885 1.00 5.73 N ATOM 657 CA ARG A 42 -4.967 4.132 1.492 1.00 6.97 C ATOM 658 C ARG A 42 -3.979 3.215 2.226 1.00 7.15 C ATOM 659 O ARG A 42 -4.368 2.329 2.938 1.00 7.33 O ATOM 660 CB ARG A 42 -5.545 5.095 2.569 1.00 13.23 C ATOM 661 CG ARG A 42 -6.461 6.253 2.129 1.00 21.27 C ATOM 662 CD ARG A 42 -6.288 7.491 2.995 1.00 26.14 C ATOM 663 NE ARG A 42 -7.223 8.575 2.471 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.307 8.979 3.130 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.968 8.216 4.029 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.854 10.142 2.903 1.00 36.39 N ATOM 0 H ARG A 42 -6.371 2.619 1.535 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.507 4.716 0.695 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.102 4.490 3.285 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.702 5.530 3.107 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.248 6.507 1.091 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.500 5.926 2.170 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.518 7.262 4.036 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.254 7.834 2.965 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.008 9.011 1.574 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.641 7.272 4.235 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.794 8.584 4.501 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.451 10.768 2.205 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.684 10.425 3.423 1.00 36.39 H new ATOM 680 N LEU A 43 -2.660 3.406 2.015 1.00 4.65 N ATOM 681 CA LEU A 43 -1.648 2.550 2.591 1.00 3.51 C ATOM 682 C LEU A 43 -0.996 3.160 3.760 1.00 5.56 C ATOM 683 O LEU A 43 -0.788 4.370 3.757 1.00 4.19 O ATOM 684 CB LEU A 43 -0.632 2.183 1.536 1.00 3.74 C ATOM 685 CG LEU A 43 -1.151 1.372 0.399 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.040 0.981 -0.543 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.993 0.136 0.788 1.00 6.41 C ATOM 0 H LEU A 43 -2.286 4.161 1.440 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.140 1.646 2.949 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.201 3.101 1.137 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.178 1.631 2.013 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.850 2.038 -0.106 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.449 0.390 -1.363 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.431 1.879 -0.943 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.702 0.391 -0.005 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.319 -0.381 -0.115 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.389 -0.539 1.394 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.865 0.455 1.359 1.00 6.41 H new ATOM 699 N ILE A 44 -0.824 2.420 4.867 1.00 4.58 N ATOM 700 CA ILE A 44 -0.230 2.845 6.126 1.00 5.55 C ATOM 701 C ILE A 44 1.109 2.114 6.273 1.00 5.46 C ATOM 702 O ILE A 44 1.198 0.873 6.099 1.00 6.04 O ATOM 703 CB ILE A 44 -1.139 2.598 7.315 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.547 3.270 7.222 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.499 2.941 8.675 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.587 4.783 6.884 1.00 13.90 C ATOM 0 H ILE A 44 -1.119 1.444 4.899 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.075 3.924 6.109 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.289 1.520 7.264 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.126 2.739 6.466 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.056 3.123 8.175 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.212 2.737 9.474 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.394 2.333 8.821 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.226 3.996 8.693 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.623 5.121 6.851 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.048 5.341 7.649 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.119 4.952 5.914 1.00 13.90 H new ATOM 718 N PHE A 45 2.159 2.837 6.685 1.00 6.75 N ATOM 719 CA PHE A 45 3.458 2.250 7.055 1.00 4.70 C ATOM 720 C PHE A 45 3.844 3.016 8.346 1.00 6.34 C ATOM 721 O PHE A 45 3.870 4.238 8.314 1.00 5.45 O ATOM 722 CB PHE A 45 4.526 2.360 5.947 1.00 5.51 C ATOM 723 CG PHE A 45 5.733 1.619 6.345 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.807 0.206 6.447 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.750 2.415 6.864 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.030 -0.321 6.954 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.948 1.866 7.325 1.00 6.64 C ATOM 728 CZ PHE A 45 8.103 0.440 7.431 1.00 6.84 C ATOM 0 H PHE A 45 2.133 3.853 6.772 1.00 6.75 H new ATOM 0 HA PHE A 45 3.392 1.173 7.207 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.135 1.961 5.011 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.773 3.407 5.769 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.985 -0.432 6.158 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.609 3.485 6.911 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.138 -1.395 6.972 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.764 2.516 7.604 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.989 -0.013 7.851 1.00 6.84 H new ATOM 738 N ALA A 46 4.171 2.303 9.458 1.00 6.53 N ATOM 739 CA ALA A 46 4.720 2.788 10.735 1.00 7.15 C ATOM 740 C ALA A 46 3.871 3.785 11.484 1.00 9.00 C ATOM 741 O ALA A 46 4.304 4.687 12.173 1.00 11.15 O ATOM 742 CB ALA A 46 6.148 3.290 10.548 1.00 8.99 C ATOM 0 H ALA A 46 4.043 1.291 9.476 1.00 6.53 H new ATOM 0 HA ALA A 46 4.719 1.915 11.387 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.537 3.644 11.503 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.774 2.477 10.180 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.155 4.108 9.827 1.00 8.99 H new ATOM 748 N GLY A 47 2.517 3.536 11.436 1.00 9.35 N ATOM 749 CA GLY A 47 1.501 4.439 12.038 1.00 11.68 C ATOM 750 C GLY A 47 1.190 5.644 11.219 1.00 11.14 C ATOM 751 O GLY A 47 0.255 6.400 11.493 1.00 13.93 O ATOM 0 H GLY A 47 2.117 2.714 10.984 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.582 3.876 12.199 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.853 4.761 13.018 1.00 11.68 H new ATOM 755 N LYS A 48 1.775 5.874 10.030 1.00 10.47 N ATOM 756 CA LYS A 48 1.549 6.998 9.175 1.00 8.82 C ATOM 757 C LYS A 48 1.236 6.630 7.710 1.00 7.68 C ATOM 758 O LYS A 48 1.536 5.539 7.205 1.00 6.47 O ATOM 759 CB LYS A 48 2.617 8.057 9.396 1.00 9.74 C ATOM 760 CG LYS A 48 4.005 7.826 8.772 1.00 14.14 C ATOM 761 CD LYS A 48 4.811 9.137 8.912 1.00 16.32 C ATOM 762 CE LYS A 48 6.136 9.089 8.132 1.00 20.04 C ATOM 763 NZ LYS A 48 5.849 8.778 6.723 1.00 23.92 N ATOM 0 H LYS A 48 2.457 5.225 9.638 1.00 10.47 H new ATOM 0 HA LYS A 48 0.610 7.466 9.470 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.233 9.003 9.015 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.750 8.177 10.471 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.518 7.007 9.275 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.910 7.546 7.723 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.209 9.972 8.552 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.018 9.324 9.966 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.653 10.045 8.209 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.797 8.334 8.558 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.624 9.129 6.125 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.761 7.748 6.606 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.959 9.236 6.441 1.00 23.92 H new ATOM 777 N GLN A 49 0.484 7.549 7.073 1.00 8.89 N ATOM 778 CA GLN A 49 -0.170 7.239 5.842 1.00 7.18 C ATOM 779 C GLN A 49 0.610 7.686 4.586 1.00 8.23 C ATOM 780 O GLN A 49 1.154 8.770 4.547 1.00 9.70 O ATOM 781 CB GLN A 49 -1.587 7.981 5.986 1.00 11.67 C ATOM 782 CG GLN A 49 -2.531 7.749 4.812 1.00 15.82 C ATOM 783 CD GLN A 49 -3.734 8.687 4.767 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.625 8.611 5.657 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.788 9.662 3.818 1.00 20.67 N ATOM 0 H GLN A 49 0.331 8.500 7.410 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.260 6.164 5.688 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.072 7.641 6.901 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.415 9.052 6.095 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.969 7.856 3.884 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.890 6.721 4.850 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.064 9.717 3.102 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.552 10.337 3.824 1.00 20.67 H new ATOM 794 N LEU A 50 0.687 6.811 3.521 1.00 6.51 N ATOM 795 CA LEU A 50 1.613 7.083 2.489 1.00 7.41 C ATOM 796 C LEU A 50 0.895 7.861 1.362 1.00 8.27 C ATOM 797 O LEU A 50 -0.335 7.769 1.110 1.00 8.34 O ATOM 798 CB LEU A 50 2.156 5.827 1.821 1.00 7.13 C ATOM 799 CG LEU A 50 2.730 4.822 2.825 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.269 3.610 2.045 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.940 5.468 3.585 1.00 9.11 C ATOM 0 H LEU A 50 0.126 5.967 3.405 1.00 6.51 H new ATOM 0 HA LEU A 50 2.429 7.633 2.957 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.358 5.350 1.252 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.933 6.106 1.109 1.00 7.13 H new ATOM 0 HG LEU A 50 1.952 4.530 3.530 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.682 2.882 2.743 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.458 3.151 1.480 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.049 3.937 1.358 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.346 4.751 4.298 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.713 5.745 2.869 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.603 6.358 4.117 1.00 9.11 H new ATOM 813 N GLU A 51 1.628 8.711 0.619 1.00 9.43 N ATOM 814 CA GLU A 51 1.027 9.637 -0.371 1.00 11.90 C ATOM 815 C GLU A 51 1.086 9.022 -1.784 1.00 11.49 C ATOM 816 O GLU A 51 2.168 8.575 -2.259 1.00 9.88 O ATOM 817 CB GLU A 51 1.750 10.956 -0.503 1.00 16.56 C ATOM 818 CG GLU A 51 1.553 11.982 0.636 1.00 26.06 C ATOM 819 CD GLU A 51 2.375 13.183 0.365 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.642 13.182 0.451 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.764 14.227 0.058 1.00 33.44 O ATOM 0 H GLU A 51 2.644 8.779 0.683 1.00 9.43 H new ATOM 0 HA GLU A 51 0.015 9.801 -0.002 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.817 10.750 -0.592 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.436 11.422 -1.437 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.501 12.258 0.714 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.838 11.541 1.591 1.00 26.06 H new ATOM 828 N ASP A 52 -0.047 9.123 -2.460 1.00 12.71 N ATOM 829 CA ASP A 52 -0.273 8.647 -3.822 1.00 16.56 C ATOM 830 C ASP A 52 0.940 8.734 -4.811 1.00 15.83 C ATOM 831 O ASP A 52 1.369 7.767 -5.472 1.00 17.21 O ATOM 832 CB ASP A 52 -1.489 9.357 -4.456 1.00 21.05 C ATOM 833 CG ASP A 52 -2.704 8.876 -3.598 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.883 9.356 -2.472 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.455 8.029 -4.100 1.00 25.82 O ATOM 0 H ASP A 52 -0.876 9.560 -2.057 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.452 7.581 -3.684 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.380 10.441 -4.420 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.608 9.083 -5.504 1.00 21.05 H new ATOM 840 N GLY A 53 1.483 9.969 -4.980 1.00 15.00 N ATOM 841 CA GLY A 53 2.457 10.328 -6.022 1.00 11.77 C ATOM 842 C GLY A 53 3.901 10.062 -5.681 1.00 11.10 C ATOM 843 O GLY A 53 4.788 10.350 -6.503 1.00 11.25 O ATOM 0 H GLY A 53 1.243 10.755 -4.376 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.209 9.779 -6.931 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.345 11.388 -6.250 1.00 11.77 H new ATOM 847 N ARG A 54 4.099 9.557 -4.473 1.00 8.53 N ATOM 848 CA ARG A 54 5.479 9.298 -4.047 1.00 9.05 C ATOM 849 C ARG A 54 5.901 7.909 -4.322 1.00 8.96 C ATOM 850 O ARG A 54 5.159 7.063 -4.785 1.00 11.60 O ATOM 851 CB ARG A 54 5.743 9.514 -2.552 1.00 7.97 C ATOM 852 CG ARG A 54 5.194 10.836 -2.024 1.00 9.62 C ATOM 853 CD ARG A 54 5.742 12.107 -2.664 1.00 12.20 C ATOM 854 NE ARG A 54 5.051 13.213 -1.903 1.00 18.23 N ATOM 855 CZ ARG A 54 4.916 14.479 -2.261 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.583 14.935 -3.352 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.083 15.281 -1.612 1.00 23.38 N ATOM 0 H ARG A 54 3.371 9.326 -3.797 1.00 8.53 H new ATOM 0 HA ARG A 54 6.043 10.026 -4.630 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.297 8.694 -1.990 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.817 9.477 -2.371 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.111 10.830 -2.151 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.389 10.882 -0.953 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.826 12.170 -2.567 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.514 12.150 -3.729 1.00 12.20 H new ATOM 0 HE ARG A 54 4.640 12.953 -1.007 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.180 14.303 -3.886 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.487 15.909 -3.638 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.538 14.923 -0.828 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.987 16.256 -1.897 1.00 23.38 H new ATOM 871 N THR A 55 7.085 7.544 -3.982 1.00 9.05 N ATOM 872 CA THR A 55 7.653 6.235 -4.133 1.00 9.03 C ATOM 873 C THR A 55 8.100 5.660 -2.784 1.00 8.15 C ATOM 874 O THR A 55 8.291 6.321 -1.804 1.00 5.91 O ATOM 875 CB THR A 55 8.890 6.186 -5.056 1.00 11.15 C ATOM 876 OG1 THR A 55 10.038 6.814 -4.448 1.00 11.95 O ATOM 877 CG2 THR A 55 8.568 6.881 -6.375 1.00 11.71 C ATOM 0 H THR A 55 7.741 8.199 -3.556 1.00 9.05 H new ATOM 0 HA THR A 55 6.848 5.651 -4.580 1.00 9.03 H new ATOM 0 HB THR A 55 9.136 5.139 -5.231 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.788 7.702 -4.117 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.441 6.847 -7.027 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.733 6.374 -6.859 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.299 7.920 -6.183 1.00 11.71 H new ATOM 885 N LEU A 56 8.331 4.372 -2.721 1.00 6.91 N ATOM 886 CA LEU A 56 8.715 3.546 -1.532 1.00 8.29 C ATOM 887 C LEU A 56 9.965 3.977 -0.993 1.00 8.05 C ATOM 888 O LEU A 56 10.140 4.089 0.230 1.00 10.17 O ATOM 889 CB LEU A 56 8.763 2.085 -1.885 1.00 6.60 C ATOM 890 CG LEU A 56 7.402 1.367 -1.937 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.519 -0.005 -2.605 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.820 1.119 -0.576 1.00 8.64 C ATOM 0 H LEU A 56 8.257 3.795 -3.559 1.00 6.91 H new ATOM 0 HA LEU A 56 7.951 3.685 -0.767 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.246 1.980 -2.857 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.395 1.575 -1.158 1.00 6.60 H new ATOM 0 HG LEU A 56 6.757 2.038 -2.505 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.540 -0.485 -2.625 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.884 0.117 -3.625 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.216 -0.626 -2.042 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.861 0.610 -0.677 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.502 0.496 0.003 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.674 2.070 -0.064 1.00 8.64 H new ATOM 904 N SER A 57 10.961 4.318 -1.852 1.00 8.92 N ATOM 905 CA SER A 57 12.327 4.841 -1.561 1.00 9.00 C ATOM 906 C SER A 57 12.254 6.199 -0.766 1.00 9.44 C ATOM 907 O SER A 57 13.145 6.548 0.070 1.00 10.91 O ATOM 908 CB SER A 57 13.224 4.897 -2.808 1.00 10.32 C ATOM 909 OG SER A 57 12.781 5.802 -3.824 1.00 13.59 O ATOM 0 H SER A 57 10.818 4.226 -2.858 1.00 8.92 H new ATOM 0 HA SER A 57 12.822 4.125 -0.905 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.231 5.181 -2.502 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.291 3.897 -3.236 1.00 10.32 H new ATOM 0 HG SER A 57 11.811 5.923 -3.754 1.00 13.59 H new ATOM 915 N ASP A 58 11.207 7.010 -0.965 1.00 9.11 N ATOM 916 CA ASP A 58 11.016 8.224 -0.240 1.00 7.91 C ATOM 917 C ASP A 58 10.727 8.030 1.221 1.00 9.12 C ATOM 918 O ASP A 58 11.039 8.856 2.086 1.00 8.61 O ATOM 919 CB ASP A 58 9.971 9.196 -0.865 1.00 8.41 C ATOM 920 CG ASP A 58 10.112 9.473 -2.349 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.198 9.984 -2.661 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.207 9.168 -3.194 1.00 11.70 O ATOM 0 H ASP A 58 10.473 6.819 -1.647 1.00 9.11 H new ATOM 0 HA ASP A 58 11.992 8.701 -0.325 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.976 8.789 -0.686 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.027 10.146 -0.333 1.00 8.41 H new ATOM 927 N TYR A 59 10.165 6.875 1.508 1.00 7.97 N ATOM 928 CA TYR A 59 9.830 6.473 2.834 1.00 8.45 C ATOM 929 C TYR A 59 10.874 5.486 3.415 1.00 10.98 C ATOM 930 O TYR A 59 10.826 5.139 4.575 1.00 12.95 O ATOM 931 CB TYR A 59 8.457 5.815 2.937 1.00 7.94 C ATOM 932 CG TYR A 59 7.424 6.824 2.468 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.726 7.632 3.355 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.959 6.742 1.182 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.814 8.561 2.907 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.920 7.595 0.672 1.00 6.52 C ATOM 937 CZ TYR A 59 5.422 8.481 1.544 1.00 6.76 C ATOM 938 OH TYR A 59 4.399 9.361 1.092 1.00 7.63 O ATOM 0 H TYR A 59 9.927 6.181 0.799 1.00 7.97 H new ATOM 0 HA TYR A 59 9.819 7.399 3.409 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.418 4.915 2.324 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.255 5.510 3.964 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.902 7.530 4.416 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.392 6.004 0.522 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.413 9.319 3.564 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.565 7.526 -0.346 1.00 6.52 H new ATOM 0 HH TYR A 59 4.742 10.279 1.071 1.00 7.63 H new ATOM 948 N ASN A 60 11.799 5.020 2.617 1.00 12.38 N ATOM 949 CA ASN A 60 12.838 4.052 2.868 1.00 13.94 C ATOM 950 C ASN A 60 12.323 2.687 3.152 1.00 14.16 C ATOM 951 O ASN A 60 12.988 1.914 3.868 1.00 14.26 O ATOM 952 CB ASN A 60 13.785 4.487 3.977 1.00 19.23 C ATOM 953 CG ASN A 60 14.449 5.806 3.557 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.062 5.985 2.489 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.383 6.754 4.502 1.00 24.09 N ATOM 0 H ASN A 60 11.848 5.352 1.654 1.00 12.38 H new ATOM 0 HA ASN A 60 13.396 4.003 1.933 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.240 4.618 4.912 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.540 3.721 4.153 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.843 7.653 4.356 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.873 6.577 5.367 1.00 24.09 H new ATOM 962 N ILE A 61 11.244 2.225 2.515 1.00 11.08 N ATOM 963 CA ILE A 61 10.626 0.934 2.800 1.00 11.78 C ATOM 964 C ILE A 61 11.530 -0.218 2.358 1.00 13.74 C ATOM 965 O ILE A 61 12.208 -0.116 1.318 1.00 14.60 O ATOM 966 CB ILE A 61 9.153 0.935 2.370 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.455 1.941 3.322 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.567 -0.508 2.413 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.036 2.193 2.959 1.00 11.42 C ATOM 0 H ILE A 61 10.771 2.747 1.777 1.00 11.08 H new ATOM 0 HA ILE A 61 10.550 0.749 3.871 1.00 11.78 H new ATOM 0 HB ILE A 61 9.003 1.247 1.336 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.501 1.560 4.342 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.001 2.884 3.309 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.522 -0.486 2.105 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.131 -1.150 1.737 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.638 -0.899 3.428 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.602 2.905 3.661 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.986 2.602 1.950 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.478 1.257 2.999 1.00 11.42 H new ATOM 981 N GLN A 62 11.659 -1.309 3.152 1.00 13.97 N ATOM 982 CA GLN A 62 12.659 -2.395 2.906 1.00 15.52 C ATOM 983 C GLN A 62 11.895 -3.719 2.767 1.00 13.94 C ATOM 984 O GLN A 62 10.661 -3.817 2.842 1.00 12.15 O ATOM 985 CB GLN A 62 13.559 -2.533 4.174 1.00 19.53 C ATOM 986 CG GLN A 62 14.349 -1.250 4.436 1.00 26.38 C ATOM 987 CD GLN A 62 15.417 -1.374 5.563 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.576 -1.093 5.431 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.944 -1.900 6.716 1.00 32.71 N ATOM 0 H GLN A 62 11.081 -1.467 3.977 1.00 13.97 H new ATOM 0 HA GLN A 62 13.250 -2.169 2.018 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.938 -2.764 5.040 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.248 -3.367 4.044 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.845 -0.948 3.514 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.651 -0.455 4.699 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.954 -2.130 6.803 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.577 -2.066 7.498 1.00 32.71 H new ATOM 998 N LYS A 63 12.625 -4.783 2.478 1.00 11.73 N ATOM 999 CA LYS A 63 12.029 -6.076 2.415 1.00 11.97 C ATOM 1000 C LYS A 63 11.406 -6.569 3.719 1.00 10.41 C ATOM 1001 O LYS A 63 11.857 -6.203 4.807 1.00 9.59 O ATOM 1002 CB LYS A 63 13.101 -7.110 1.926 1.00 13.73 C ATOM 1003 CG LYS A 63 14.293 -7.275 2.917 1.00 16.98 C ATOM 1004 CD LYS A 63 15.433 -8.103 2.156 1.00 20.19 C ATOM 1005 CE LYS A 63 16.629 -8.431 3.036 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.536 -7.273 3.169 1.00 25.97 N ATOM 0 H LYS A 63 13.627 -4.762 2.286 1.00 11.73 H new ATOM 0 HA LYS A 63 11.199 -5.986 1.714 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.622 -8.078 1.780 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.485 -6.794 0.956 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.670 -6.301 3.231 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.974 -7.799 3.818 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.006 -9.031 1.776 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.772 -7.531 1.292 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.283 -8.739 4.023 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.174 -9.275 2.612 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.341 -7.530 3.775 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.885 -6.996 2.229 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.022 -6.476 3.596 1.00 25.97 H new ATOM 1020 N GLU A 64 10.328 -7.407 3.553 1.00 10.04 N ATOM 1021 CA GLU A 64 9.579 -7.922 4.679 1.00 10.94 C ATOM 1022 C GLU A 64 8.686 -7.015 5.486 1.00 9.74 C ATOM 1023 O GLU A 64 8.256 -7.383 6.564 1.00 9.42 O ATOM 1024 CB GLU A 64 10.466 -8.873 5.517 1.00 18.31 C ATOM 1025 CG GLU A 64 11.032 -10.153 4.795 1.00 24.16 C ATOM 1026 CD GLU A 64 11.894 -10.921 5.835 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.415 -11.166 6.986 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.042 -11.288 5.511 1.00 31.72 O ATOM 0 H GLU A 64 9.986 -7.719 2.644 1.00 10.04 H new ATOM 0 HA GLU A 64 8.774 -8.476 4.196 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.311 -8.299 5.898 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.888 -9.201 6.381 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.219 -10.781 4.430 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.632 -9.873 3.929 1.00 24.16 H new ATOM 1035 N SER A 65 8.566 -5.774 4.947 1.00 6.85 N ATOM 1036 CA SER A 65 7.772 -4.721 5.548 1.00 6.90 C ATOM 1037 C SER A 65 6.292 -4.944 5.512 1.00 4.72 C ATOM 1038 O SER A 65 5.825 -5.459 4.482 1.00 3.91 O ATOM 1039 CB SER A 65 7.945 -3.335 4.859 1.00 7.28 C ATOM 1040 OG SER A 65 9.260 -2.802 4.920 1.00 10.56 O ATOM 0 H SER A 65 9.027 -5.496 4.081 1.00 6.85 H new ATOM 0 HA SER A 65 8.154 -4.738 6.569 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.652 -3.425 3.813 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.258 -2.626 5.322 1.00 7.28 H new ATOM 0 HG SER A 65 9.763 -3.079 4.126 1.00 10.56 H new ATOM 1046 N THR A 66 5.586 -4.510 6.609 1.00 4.48 N ATOM 1047 CA THR A 66 4.143 -4.794 6.729 1.00 3.80 C ATOM 1048 C THR A 66 3.488 -3.432 6.496 1.00 4.60 C ATOM 1049 O THR A 66 3.448 -2.489 7.286 1.00 5.33 O ATOM 1050 CB THR A 66 3.703 -5.394 8.042 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.156 -6.773 8.110 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.131 -5.411 8.208 1.00 3.40 C ATOM 0 H THR A 66 5.988 -3.984 7.385 1.00 4.48 H new ATOM 0 HA THR A 66 3.853 -5.564 6.014 1.00 3.80 H new ATOM 0 HB THR A 66 4.133 -4.777 8.831 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.875 -7.168 8.962 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.871 -5.853 9.170 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.749 -4.391 8.163 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.687 -6.001 7.406 1.00 3.40 H new ATOM 1060 N LEU A 67 2.821 -3.378 5.282 1.00 4.17 N ATOM 1061 CA LEU A 67 2.049 -2.268 4.773 1.00 3.85 C ATOM 1062 C LEU A 67 0.576 -2.594 5.256 1.00 3.80 C ATOM 1063 O LEU A 67 -0.119 -3.444 4.676 1.00 5.54 O ATOM 1064 CB LEU A 67 2.081 -2.071 3.230 1.00 7.18 C ATOM 1065 CG LEU A 67 3.396 -1.521 2.620 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.542 -0.038 2.941 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.571 -2.413 2.997 1.00 11.66 C ATOM 0 H LEU A 67 2.834 -4.165 4.633 1.00 4.17 H new ATOM 0 HA LEU A 67 2.464 -1.330 5.143 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.865 -3.031 2.761 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.271 -1.394 2.958 1.00 7.18 H new ATOM 0 HG LEU A 67 3.371 -1.562 1.531 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.469 0.338 2.508 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.697 0.510 2.523 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.564 0.100 4.022 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.486 -2.013 2.561 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.670 -2.445 4.082 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.399 -3.421 2.618 1.00 11.66 H new ATOM 1079 N HIS A 68 0.096 -1.853 6.248 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.325 -1.917 6.557 1.00 4.17 C ATOM 1081 C HIS A 68 -2.162 -1.176 5.581 1.00 5.32 C ATOM 1082 O HIS A 68 -2.020 -0.007 5.360 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.593 -1.448 8.012 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.130 -2.431 9.094 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.209 -2.525 9.467 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.821 -3.206 10.002 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.235 -3.366 10.552 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.967 -3.800 10.905 1.00 16.30 N ATOM 0 H HIS A 68 0.646 -1.223 6.832 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.621 -2.963 6.474 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.093 -0.492 8.170 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.662 -1.272 8.132 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.894 -3.331 10.005 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.143 -3.646 11.066 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.205 -4.430 11.671 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.198 -1.843 5.058 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.063 -1.288 4.039 1.00 3.97 C ATOM 1098 C LEU A 69 -5.375 -0.770 4.696 1.00 5.07 C ATOM 1099 O LEU A 69 -6.018 -1.571 5.406 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.361 -2.399 3.019 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.710 -2.319 2.199 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.859 -0.994 1.411 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.050 -3.483 1.266 1.00 9.96 C ATOM 0 H LEU A 69 -3.452 -2.790 5.340 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.585 -0.447 3.536 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.538 -2.424 2.304 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.351 -3.350 3.551 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.434 -2.379 3.011 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.804 -0.998 0.868 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.843 -0.154 2.105 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.035 -0.896 0.704 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.002 -3.288 0.773 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.267 -3.588 0.515 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.124 -4.404 1.845 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.750 0.475 4.548 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.901 1.066 5.220 1.00 6.26 C ATOM 1117 C VAL A 70 -7.817 1.623 4.106 1.00 9.22 C ATOM 1118 O VAL A 70 -7.374 2.031 3.048 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.601 2.005 6.335 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.885 1.236 7.475 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.786 3.246 5.871 1.00 8.54 C ATOM 0 H VAL A 70 -5.256 1.131 3.943 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.424 0.297 5.788 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.545 2.401 6.711 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.664 1.921 8.293 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.531 0.436 7.836 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.956 0.809 7.098 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.596 3.896 6.725 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.837 2.920 5.445 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.353 3.793 5.118 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.156 1.559 4.316 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.127 1.979 3.271 1.00 16.06 C ATOM 1133 C LEU A 71 -10.658 3.321 3.721 1.00 18.09 C ATOM 1134 O LEU A 71 -10.358 3.870 4.771 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.180 0.868 3.116 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.643 -0.538 2.778 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.889 -1.426 2.536 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.635 -0.588 1.611 1.00 19.57 C ATOM 0 H LEU A 71 -9.583 1.228 5.181 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.703 2.108 2.275 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.749 0.803 4.044 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.879 1.165 2.334 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.043 -0.905 3.611 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.571 -2.440 2.291 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.502 -1.446 3.437 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.471 -1.019 1.710 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.316 -1.618 1.450 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.108 -0.209 0.705 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.768 0.027 1.852 1.00 19.57 H new