USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 Single : A 1 MET CE :methyl -167:sc= -0.0779 (180deg=-0.293) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.981 (180deg=0.708) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.353 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.284 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 2.29 (180deg=2.15) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= 1.49 K(o=1.5,f=-7.1!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0466 (180deg=-0.283) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.128 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0029) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -125:sc= 0.318 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0861 K(o=0.086,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.190 -4.644 -3.452 1.00 0.78 N ATOM 2 CA MET A 1 12.723 -5.170 -2.150 1.00 0.70 C ATOM 3 C MET A 1 11.280 -5.537 -2.156 1.00 0.62 C ATOM 4 O MET A 1 10.530 -5.194 -3.069 1.00 0.68 O ATOM 5 CB MET A 1 13.124 -4.254 -0.981 1.00 0.75 C ATOM 6 CG MET A 1 12.126 -3.126 -0.713 1.00 0.79 C ATOM 7 SD MET A 1 12.692 -1.866 0.469 1.00 1.10 S ATOM 8 CE MET A 1 11.166 -0.923 0.187 1.00 0.84 C ATOM 0 H1 MET A 1 14.057 -4.088 -3.311 1.00 0.78 H new ATOM 0 H2 MET A 1 13.388 -5.436 -4.096 1.00 0.78 H new ATOM 0 H3 MET A 1 12.453 -4.038 -3.866 1.00 0.78 H new ATOM 0 HA MET A 1 13.248 -6.111 -1.984 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.229 -4.856 -0.079 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.102 -3.820 -1.190 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.891 -2.637 -1.658 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.199 -3.562 -0.341 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.273 0.076 0.609 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.978 -0.847 -0.884 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.330 -1.432 0.667 1.00 0.84 H new ATOM 20 N GLN A 2 10.950 -6.434 -1.210 1.00 0.59 N ATOM 21 CA GLN A 2 9.613 -6.921 -1.068 1.00 0.56 C ATOM 22 C GLN A 2 9.002 -6.064 -0.013 1.00 0.50 C ATOM 23 O GLN A 2 9.663 -5.622 0.926 1.00 0.60 O ATOM 24 CB GLN A 2 9.562 -8.396 -0.633 1.00 0.71 C ATOM 25 CG GLN A 2 9.805 -9.354 -1.801 1.00 1.15 C ATOM 26 CD GLN A 2 11.230 -9.488 -2.317 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.699 -9.014 -3.351 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.056 -10.265 -1.566 1.00 1.72 N ATOM 0 H GLN A 2 11.613 -6.824 -0.540 1.00 0.59 H new ATOM 0 HA GLN A 2 9.087 -6.875 -2.022 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.311 -8.571 0.139 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.590 -8.608 -0.188 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.462 -10.344 -1.500 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.175 -9.037 -2.632 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.716 -10.682 -0.699 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.016 -10.431 -1.869 1.00 1.72 H new ATOM 37 N ILE A 3 7.741 -5.671 -0.265 1.00 0.44 N ATOM 38 CA ILE A 3 6.960 -5.197 0.835 1.00 0.42 C ATOM 39 C ILE A 3 5.712 -6.003 0.951 1.00 0.40 C ATOM 40 O ILE A 3 5.205 -6.636 0.026 1.00 0.50 O ATOM 41 CB ILE A 3 6.580 -3.751 0.716 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.730 -3.351 -0.502 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.809 -2.840 0.881 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.298 -1.886 -0.543 1.00 0.72 C ATOM 0 H ILE A 3 7.282 -5.678 -1.176 1.00 0.44 H new ATOM 0 HA ILE A 3 7.586 -5.302 1.721 1.00 0.42 H new ATOM 0 HB ILE A 3 5.893 -3.597 1.548 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.295 -3.572 -1.407 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.838 -3.977 -0.523 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.504 -1.798 0.790 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.254 -3.004 1.862 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.541 -3.073 0.107 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.704 -1.707 -1.439 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.700 -1.658 0.340 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.181 -1.247 -0.558 1.00 0.72 H new ATOM 56 N PHE A 4 5.105 -6.063 2.150 1.00 0.37 N ATOM 57 CA PHE A 4 4.000 -6.941 2.380 1.00 0.38 C ATOM 58 C PHE A 4 2.811 -6.094 2.675 1.00 0.39 C ATOM 59 O PHE A 4 2.693 -5.384 3.672 1.00 0.60 O ATOM 60 CB PHE A 4 4.228 -7.847 3.602 1.00 0.45 C ATOM 61 CG PHE A 4 5.519 -8.559 3.389 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.513 -9.607 2.499 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.713 -8.195 3.967 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.618 -10.371 2.207 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.845 -8.874 3.581 1.00 1.40 C ATOM 66 CZ PHE A 4 7.820 -9.949 2.725 1.00 0.85 C ATOM 0 H PHE A 4 5.379 -5.505 2.959 1.00 0.37 H new ATOM 0 HA PHE A 4 3.870 -7.570 1.499 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.261 -7.257 4.518 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.410 -8.559 3.711 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.585 -9.844 2.000 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.760 -7.403 4.699 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.546 -11.261 1.599 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.798 -8.547 3.969 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.736 -10.458 2.462 1.00 0.85 H new ATOM 76 N VAL A 5 1.772 -6.209 1.829 1.00 0.35 N ATOM 77 CA VAL A 5 0.565 -5.453 1.961 1.00 0.35 C ATOM 78 C VAL A 5 -0.490 -6.428 2.354 1.00 0.35 C ATOM 79 O VAL A 5 -0.712 -7.401 1.636 1.00 0.46 O ATOM 80 CB VAL A 5 0.195 -4.674 0.732 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.042 -3.810 1.032 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.438 -3.826 0.415 1.00 0.56 C ATOM 0 H VAL A 5 1.771 -6.845 1.031 1.00 0.35 H new ATOM 0 HA VAL A 5 0.694 -4.678 2.716 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.069 -5.301 -0.120 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.314 -3.243 0.142 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.874 -4.453 1.321 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.816 -3.121 1.846 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.251 -3.224 -0.474 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.656 -3.170 1.258 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.290 -4.482 0.236 1.00 0.56 H new ATOM 92 N LYS A 6 -1.078 -6.237 3.549 1.00 0.36 N ATOM 93 CA LYS A 6 -2.142 -7.099 3.959 1.00 0.39 C ATOM 94 C LYS A 6 -3.452 -6.390 3.936 1.00 0.46 C ATOM 95 O LYS A 6 -3.505 -5.167 3.813 1.00 0.53 O ATOM 96 CB LYS A 6 -1.826 -7.525 5.403 1.00 0.54 C ATOM 97 CG LYS A 6 -0.744 -8.606 5.440 1.00 1.22 C ATOM 98 CD LYS A 6 -0.206 -8.938 6.833 1.00 1.37 C ATOM 99 CE LYS A 6 0.908 -9.987 6.784 1.00 1.93 C ATOM 100 NZ LYS A 6 1.198 -10.440 8.163 1.00 2.09 N ATOM 0 H LYS A 6 -0.826 -5.507 4.215 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.217 -7.951 3.283 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.497 -6.658 5.976 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.732 -7.898 5.881 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.147 -9.517 4.996 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.088 -8.287 4.813 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.172 -8.029 7.301 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.021 -9.303 7.458 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.604 -10.831 6.165 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.804 -9.565 6.329 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.954 -11.154 8.142 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 1.503 -9.629 8.738 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.341 -10.856 8.579 1.00 2.09 H new ATOM 114 N THR A 7 -4.556 -7.145 4.074 1.00 0.58 N ATOM 115 CA THR A 7 -5.858 -6.564 4.194 1.00 0.78 C ATOM 116 C THR A 7 -6.309 -6.628 5.613 1.00 0.94 C ATOM 117 O THR A 7 -5.596 -7.059 6.517 1.00 0.99 O ATOM 118 CB THR A 7 -6.805 -7.108 3.166 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.121 -8.473 3.399 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.220 -6.897 1.759 1.00 0.92 C ATOM 0 H THR A 7 -4.547 -8.165 4.103 1.00 0.58 H new ATOM 0 HA THR A 7 -5.827 -5.501 3.955 1.00 0.78 H new ATOM 0 HB THR A 7 -7.744 -6.559 3.244 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.741 -8.788 2.709 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.911 -7.293 1.015 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.070 -5.832 1.584 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.265 -7.416 1.681 1.00 0.92 H new ATOM 128 N LEU A 8 -7.615 -6.393 5.836 1.00 1.17 N ATOM 129 CA LEU A 8 -8.315 -6.517 7.077 1.00 1.39 C ATOM 130 C LEU A 8 -8.587 -7.929 7.467 1.00 1.44 C ATOM 131 O LEU A 8 -8.264 -8.383 8.564 1.00 1.60 O ATOM 132 CB LEU A 8 -9.671 -5.804 6.940 1.00 1.66 C ATOM 133 CG LEU A 8 -10.547 -5.879 8.201 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.024 -5.064 9.397 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.984 -5.441 7.867 1.00 2.43 C ATOM 0 H LEU A 8 -8.232 -6.090 5.082 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.679 -6.077 7.846 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.496 -4.757 6.693 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.217 -6.241 6.104 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.518 -6.922 8.515 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.706 -5.177 10.240 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.035 -5.425 9.679 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.960 -4.012 9.120 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.599 -5.497 8.765 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.975 -4.416 7.496 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.397 -6.100 7.103 1.00 2.43 H new ATOM 147 N THR A 9 -9.148 -8.747 6.560 1.00 1.41 N ATOM 148 CA THR A 9 -9.618 -10.078 6.788 1.00 1.51 C ATOM 149 C THR A 9 -8.592 -11.138 6.581 1.00 1.37 C ATOM 150 O THR A 9 -8.530 -12.032 7.423 1.00 1.62 O ATOM 151 CB THR A 9 -10.859 -10.487 6.051 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.796 -10.211 4.659 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.017 -9.666 6.645 1.00 2.08 C ATOM 0 H THR A 9 -9.283 -8.454 5.592 1.00 1.41 H new ATOM 0 HA THR A 9 -9.873 -10.007 7.845 1.00 1.51 H new ATOM 0 HB THR A 9 -10.987 -11.564 6.161 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.629 -10.499 4.230 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.946 -9.929 6.139 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.109 -9.883 7.709 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.817 -8.603 6.508 1.00 2.08 H new ATOM 161 N GLY A 10 -7.699 -11.018 5.582 1.00 1.18 N ATOM 162 CA GLY A 10 -6.710 -12.036 5.405 1.00 1.22 C ATOM 163 C GLY A 10 -5.975 -12.208 4.119 1.00 0.99 C ATOM 164 O GLY A 10 -5.634 -13.334 3.760 1.00 1.31 O ATOM 0 H GLY A 10 -7.659 -10.245 4.918 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.958 -11.882 6.179 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.197 -12.988 5.619 1.00 1.22 H new ATOM 168 N LYS A 11 -5.783 -11.142 3.323 1.00 0.73 N ATOM 169 CA LYS A 11 -5.147 -11.141 2.041 1.00 0.60 C ATOM 170 C LYS A 11 -3.769 -10.575 2.039 1.00 0.51 C ATOM 171 O LYS A 11 -3.604 -9.365 1.886 1.00 0.63 O ATOM 172 CB LYS A 11 -6.073 -10.512 0.986 1.00 0.75 C ATOM 173 CG LYS A 11 -5.703 -10.450 -0.497 1.00 0.87 C ATOM 174 CD LYS A 11 -5.255 -11.811 -1.034 1.00 1.04 C ATOM 175 CE LYS A 11 -4.944 -11.829 -2.532 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.413 -13.179 -2.823 1.00 1.40 N ATOM 0 H LYS A 11 -6.096 -10.211 3.597 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.986 -12.183 1.765 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.023 -11.042 1.049 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.258 -9.486 1.305 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.561 -10.099 -1.070 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.904 -9.723 -0.641 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.367 -12.129 -0.487 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.035 -12.544 -0.829 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.840 -11.628 -3.119 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.216 -11.060 -2.788 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.182 -13.251 -3.835 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -3.554 -13.343 -2.259 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.129 -13.893 -2.580 1.00 1.40 H new ATOM 190 N THR A 12 -2.764 -11.463 2.141 1.00 0.49 N ATOM 191 CA THR A 12 -1.447 -10.909 2.112 1.00 0.48 C ATOM 192 C THR A 12 -0.974 -10.847 0.701 1.00 0.52 C ATOM 193 O THR A 12 -0.959 -11.867 0.012 1.00 0.72 O ATOM 194 CB THR A 12 -0.345 -11.619 2.841 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.754 -11.963 4.157 1.00 0.77 O ATOM 196 CG2 THR A 12 0.929 -10.760 2.915 1.00 0.78 C ATOM 0 H THR A 12 -2.844 -12.475 2.235 1.00 0.49 H new ATOM 0 HA THR A 12 -1.599 -9.959 2.624 1.00 0.48 H new ATOM 0 HB THR A 12 -0.122 -12.526 2.280 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.023 -12.427 4.616 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.706 -11.306 3.450 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.274 -10.533 1.906 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.711 -9.831 3.441 1.00 0.78 H new ATOM 204 N ILE A 13 -0.558 -9.703 0.132 1.00 0.48 N ATOM 205 CA ILE A 13 0.046 -9.583 -1.159 1.00 0.55 C ATOM 206 C ILE A 13 1.408 -9.011 -0.965 1.00 0.51 C ATOM 207 O ILE A 13 1.641 -8.007 -0.294 1.00 0.56 O ATOM 208 CB ILE A 13 -0.808 -8.899 -2.185 1.00 0.69 C ATOM 209 CG1 ILE A 13 -0.900 -7.370 -2.051 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.183 -9.587 -2.215 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.810 -6.630 -3.030 1.00 1.55 C ATOM 0 H ILE A 13 -0.649 -8.803 0.604 1.00 0.48 H new ATOM 0 HA ILE A 13 0.147 -10.569 -1.614 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.314 -9.016 -3.150 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.236 -7.141 -1.040 1.00 1.15 H new ATOM 0 HG13 ILE A 13 0.106 -6.962 -2.153 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.817 -9.101 -2.957 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -2.058 -10.638 -2.477 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.650 -9.510 -1.233 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -1.778 -5.561 -2.820 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.470 -6.810 -4.050 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.833 -6.991 -2.920 1.00 1.55 H new ATOM 223 N THR A 14 2.406 -9.695 -1.555 1.00 0.55 N ATOM 224 CA THR A 14 3.791 -9.354 -1.457 1.00 0.54 C ATOM 225 C THR A 14 4.200 -8.538 -2.635 1.00 0.55 C ATOM 226 O THR A 14 4.067 -9.071 -3.736 1.00 0.72 O ATOM 227 CB THR A 14 4.684 -10.558 -1.419 1.00 0.67 C ATOM 228 OG1 THR A 14 4.426 -11.397 -0.302 1.00 1.08 O ATOM 229 CG2 THR A 14 6.156 -10.125 -1.302 1.00 1.03 C ATOM 0 H THR A 14 2.239 -10.523 -2.126 1.00 0.55 H new ATOM 0 HA THR A 14 3.901 -8.801 -0.524 1.00 0.54 H new ATOM 0 HB THR A 14 4.486 -11.103 -2.342 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.914 -11.061 0.479 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.794 -11.008 -1.275 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.424 -9.510 -2.161 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.294 -9.550 -0.387 1.00 1.03 H new ATOM 237 N LEU A 15 4.743 -7.314 -2.499 1.00 0.50 N ATOM 238 CA LEU A 15 5.045 -6.603 -3.702 1.00 0.55 C ATOM 239 C LEU A 15 6.498 -6.288 -3.799 1.00 0.52 C ATOM 240 O LEU A 15 7.039 -5.639 -2.905 1.00 0.58 O ATOM 241 CB LEU A 15 4.323 -5.255 -3.529 1.00 0.69 C ATOM 242 CG LEU A 15 2.813 -5.351 -3.259 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.205 -3.952 -3.065 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.125 -5.993 -4.476 1.00 1.55 C ATOM 0 H LEU A 15 4.961 -6.842 -1.621 1.00 0.50 H new ATOM 0 HA LEU A 15 4.755 -7.184 -4.577 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.789 -4.714 -2.705 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.478 -4.660 -4.429 1.00 0.69 H new ATOM 0 HG LEU A 15 2.663 -5.946 -2.358 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.136 -4.043 -2.875 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.684 -3.462 -2.217 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.364 -3.358 -3.965 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.053 -6.065 -4.292 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.301 -5.379 -5.359 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.532 -6.991 -4.640 1.00 1.55 H new ATOM 256 N GLU A 16 7.078 -6.661 -4.953 1.00 0.59 N ATOM 257 CA GLU A 16 8.416 -6.279 -5.282 1.00 0.63 C ATOM 258 C GLU A 16 8.384 -4.879 -5.791 1.00 0.65 C ATOM 259 O GLU A 16 7.723 -4.531 -6.768 1.00 0.81 O ATOM 260 CB GLU A 16 8.930 -7.168 -6.428 1.00 0.76 C ATOM 261 CG GLU A 16 9.037 -8.640 -6.027 1.00 1.41 C ATOM 262 CD GLU A 16 9.469 -9.558 -7.162 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.163 -9.152 -8.132 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.029 -10.738 -7.143 1.00 1.95 O ATOM 0 H GLU A 16 6.617 -7.231 -5.663 1.00 0.59 H new ATOM 0 HA GLU A 16 9.055 -6.376 -4.404 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.260 -7.076 -7.283 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.908 -6.811 -6.749 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.749 -8.732 -5.207 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.071 -8.975 -5.649 1.00 1.41 H new ATOM 271 N VAL A 17 9.136 -3.971 -5.143 1.00 0.61 N ATOM 272 CA VAL A 17 9.252 -2.553 -5.286 1.00 0.63 C ATOM 273 C VAL A 17 10.674 -2.110 -5.240 1.00 0.65 C ATOM 274 O VAL A 17 11.577 -2.923 -5.050 1.00 0.76 O ATOM 275 CB VAL A 17 8.486 -1.808 -4.233 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.022 -2.280 -4.232 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.992 -2.078 -2.806 1.00 0.92 C ATOM 0 H VAL A 17 9.759 -4.291 -4.402 1.00 0.61 H new ATOM 0 HA VAL A 17 8.827 -2.321 -6.263 1.00 0.63 H new ATOM 0 HB VAL A 17 8.607 -0.753 -4.477 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.466 -1.739 -3.467 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.577 -2.088 -5.208 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.984 -3.349 -4.020 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.395 -1.508 -2.094 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.904 -3.142 -2.584 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.036 -1.776 -2.727 1.00 0.92 H new ATOM 287 N GLU A 18 10.994 -0.811 -5.383 1.00 0.68 N ATOM 288 CA GLU A 18 12.298 -0.318 -5.063 1.00 0.74 C ATOM 289 C GLU A 18 12.123 0.806 -4.101 1.00 0.71 C ATOM 290 O GLU A 18 10.981 1.263 -4.097 1.00 0.74 O ATOM 291 CB GLU A 18 13.070 0.007 -6.354 1.00 0.88 C ATOM 292 CG GLU A 18 13.574 -1.224 -7.109 1.00 1.16 C ATOM 293 CD GLU A 18 14.862 -1.818 -6.555 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.341 -1.414 -5.463 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.416 -2.761 -7.180 1.00 2.33 O ATOM 0 H GLU A 18 10.346 -0.099 -5.722 1.00 0.68 H new ATOM 0 HA GLU A 18 12.926 -1.058 -4.567 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.424 0.585 -7.015 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.921 0.641 -6.105 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.798 -1.989 -7.091 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.732 -0.955 -8.153 1.00 1.16 H new ATOM 302 N PRO A 19 12.983 1.364 -3.302 1.00 0.74 N ATOM 303 CA PRO A 19 12.581 2.310 -2.302 1.00 0.74 C ATOM 304 C PRO A 19 12.232 3.632 -2.896 1.00 0.70 C ATOM 305 O PRO A 19 11.509 4.391 -2.252 1.00 0.74 O ATOM 306 CB PRO A 19 13.801 2.504 -1.405 1.00 0.86 C ATOM 307 CG PRO A 19 14.443 1.107 -1.426 1.00 0.95 C ATOM 308 CD PRO A 19 14.263 0.789 -2.919 1.00 0.82 C ATOM 0 HA PRO A 19 11.702 1.942 -1.773 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.475 3.268 -1.793 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.521 2.809 -0.397 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.489 1.119 -1.120 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.929 0.397 -0.778 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.074 1.216 -3.509 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.275 -0.287 -3.093 1.00 0.82 H new ATOM 316 N SER A 20 12.626 4.038 -4.115 1.00 0.70 N ATOM 317 CA SER A 20 12.479 5.296 -4.779 1.00 0.74 C ATOM 318 C SER A 20 11.236 5.322 -5.601 1.00 0.71 C ATOM 319 O SER A 20 10.956 6.196 -6.420 1.00 0.80 O ATOM 320 CB SER A 20 13.605 5.764 -5.717 1.00 0.89 C ATOM 321 OG SER A 20 14.048 7.088 -5.462 1.00 1.45 O ATOM 0 H SER A 20 13.120 3.382 -4.720 1.00 0.70 H new ATOM 0 HA SER A 20 12.478 5.977 -3.928 1.00 0.74 H new ATOM 0 HB2 SER A 20 14.451 5.083 -5.622 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.257 5.699 -6.748 1.00 0.89 H new ATOM 0 HG SER A 20 14.763 7.320 -6.091 1.00 1.45 H new ATOM 327 N ASP A 21 10.345 4.326 -5.448 1.00 0.70 N ATOM 328 CA ASP A 21 9.066 4.189 -6.074 1.00 0.73 C ATOM 329 C ASP A 21 8.021 4.868 -5.257 1.00 0.64 C ATOM 330 O ASP A 21 8.088 4.847 -4.029 1.00 0.66 O ATOM 331 CB ASP A 21 8.682 2.701 -6.112 1.00 0.87 C ATOM 332 CG ASP A 21 9.377 2.001 -7.271 1.00 1.05 C ATOM 333 OD1 ASP A 21 10.128 2.666 -8.034 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.251 0.768 -7.499 1.00 1.69 O ATOM 0 H ASP A 21 10.541 3.542 -4.825 1.00 0.70 H new ATOM 0 HA ASP A 21 9.125 4.622 -7.073 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.959 2.224 -5.172 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.601 2.601 -6.214 1.00 0.87 H new ATOM 339 N THR A 22 6.964 5.425 -5.874 1.00 0.63 N ATOM 340 CA THR A 22 5.939 6.142 -5.181 1.00 0.58 C ATOM 341 C THR A 22 4.817 5.319 -4.650 1.00 0.53 C ATOM 342 O THR A 22 4.490 4.237 -5.135 1.00 0.58 O ATOM 343 CB THR A 22 5.416 7.326 -5.942 1.00 0.63 C ATOM 344 OG1 THR A 22 4.834 6.947 -7.181 1.00 0.70 O ATOM 345 CG2 THR A 22 6.570 8.251 -6.361 1.00 0.75 C ATOM 0 H THR A 22 6.818 5.376 -6.882 1.00 0.63 H new ATOM 0 HA THR A 22 6.471 6.509 -4.303 1.00 0.58 H new ATOM 0 HB THR A 22 4.696 7.800 -5.275 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.504 7.745 -7.645 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.172 9.103 -6.911 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.093 8.605 -5.473 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.264 7.701 -6.996 1.00 0.75 H new ATOM 353 N ILE A 23 4.030 5.863 -3.704 1.00 0.51 N ATOM 354 CA ILE A 23 2.850 5.204 -3.237 1.00 0.48 C ATOM 355 C ILE A 23 1.764 5.072 -4.249 1.00 0.48 C ATOM 356 O ILE A 23 0.944 4.162 -4.361 1.00 0.51 O ATOM 357 CB ILE A 23 2.352 5.994 -2.064 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.442 6.195 -0.996 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.036 5.405 -1.527 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.860 4.971 -0.182 1.00 0.73 C ATOM 0 H ILE A 23 4.212 6.763 -3.261 1.00 0.51 H new ATOM 0 HA ILE A 23 3.119 4.179 -2.982 1.00 0.48 H new ATOM 0 HB ILE A 23 2.113 7.002 -2.401 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.329 6.591 -1.490 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.096 6.960 -0.301 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.694 5.994 -0.676 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.280 5.428 -2.312 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.200 4.375 -1.212 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.633 5.255 0.532 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.996 4.579 0.356 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.249 4.204 -0.852 1.00 0.73 H new ATOM 372 N GLU A 24 1.666 6.006 -5.212 1.00 0.50 N ATOM 373 CA GLU A 24 0.813 6.040 -6.359 1.00 0.53 C ATOM 374 C GLU A 24 0.993 4.870 -7.264 1.00 0.50 C ATOM 375 O GLU A 24 0.031 4.127 -7.453 1.00 0.55 O ATOM 376 CB GLU A 24 1.099 7.391 -7.037 1.00 0.64 C ATOM 377 CG GLU A 24 0.123 7.816 -8.136 1.00 0.95 C ATOM 378 CD GLU A 24 0.564 9.097 -8.830 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.721 9.156 -9.328 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.280 10.031 -8.858 1.00 1.56 O ATOM 0 H GLU A 24 2.258 6.836 -5.178 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.236 5.960 -6.074 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.108 8.164 -6.269 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.101 7.354 -7.464 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.036 7.017 -8.872 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.867 7.961 -7.704 1.00 0.95 H new ATOM 387 N ASN A 25 2.247 4.580 -7.655 1.00 0.51 N ATOM 388 CA ASN A 25 2.632 3.465 -8.463 1.00 0.52 C ATOM 389 C ASN A 25 2.335 2.183 -7.764 1.00 0.47 C ATOM 390 O ASN A 25 1.877 1.210 -8.363 1.00 0.53 O ATOM 391 CB ASN A 25 4.104 3.731 -8.824 1.00 0.64 C ATOM 392 CG ASN A 25 4.704 2.834 -9.896 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.120 1.896 -10.438 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.974 3.156 -10.260 1.00 1.57 N ATOM 0 H ASN A 25 3.042 5.162 -7.389 1.00 0.51 H new ATOM 0 HA ASN A 25 2.067 3.358 -9.389 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.195 4.766 -9.153 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.703 3.631 -7.919 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.448 2.619 -10.986 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.453 3.935 -9.807 1.00 1.57 H new ATOM 401 N VAL A 26 2.555 2.058 -6.444 1.00 0.45 N ATOM 402 CA VAL A 26 2.204 0.859 -5.749 1.00 0.44 C ATOM 403 C VAL A 26 0.753 0.520 -5.719 1.00 0.40 C ATOM 404 O VAL A 26 0.268 -0.601 -5.857 1.00 0.44 O ATOM 405 CB VAL A 26 2.797 0.927 -4.373 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.336 -0.324 -3.606 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.334 0.926 -4.425 1.00 0.62 C ATOM 0 H VAL A 26 2.973 2.782 -5.860 1.00 0.45 H new ATOM 0 HA VAL A 26 2.624 0.030 -6.319 1.00 0.44 H new ATOM 0 HB VAL A 26 2.471 1.847 -3.888 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.751 -0.306 -2.598 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.247 -0.336 -3.550 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.683 -1.217 -4.125 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.732 0.976 -3.412 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.681 0.012 -4.907 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.679 1.789 -4.994 1.00 0.62 H new ATOM 417 N LYS A 27 -0.120 1.542 -5.669 1.00 0.40 N ATOM 418 CA LYS A 27 -1.538 1.376 -5.752 1.00 0.41 C ATOM 419 C LYS A 27 -1.957 0.853 -7.083 1.00 0.38 C ATOM 420 O LYS A 27 -2.846 0.015 -7.224 1.00 0.42 O ATOM 421 CB LYS A 27 -2.295 2.670 -5.410 1.00 0.51 C ATOM 422 CG LYS A 27 -2.213 3.083 -3.939 1.00 0.76 C ATOM 423 CD LYS A 27 -3.187 4.175 -3.493 1.00 0.82 C ATOM 424 CE LYS A 27 -2.817 5.507 -4.150 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.944 6.467 -4.179 1.00 1.11 N ATOM 0 H LYS A 27 0.170 2.515 -5.568 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.805 0.633 -5.001 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.901 3.480 -6.024 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.343 2.545 -5.681 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.383 2.199 -3.324 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.198 3.423 -3.734 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.206 3.897 -3.763 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.161 4.276 -2.408 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.981 5.952 -3.611 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.477 5.322 -5.169 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.607 7.388 -4.525 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.688 6.110 -4.813 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.330 6.578 -3.220 1.00 1.11 H new ATOM 439 N ALA A 28 -1.200 1.236 -8.126 1.00 0.39 N ATOM 440 CA ALA A 28 -1.310 0.759 -9.469 1.00 0.39 C ATOM 441 C ALA A 28 -0.866 -0.654 -9.630 1.00 0.36 C ATOM 442 O ALA A 28 -1.418 -1.366 -10.467 1.00 0.42 O ATOM 443 CB ALA A 28 -0.574 1.702 -10.435 1.00 0.51 C ATOM 0 H ALA A 28 -0.458 1.929 -8.022 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.370 0.761 -9.721 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.667 1.325 -11.453 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.012 2.698 -10.376 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.480 1.752 -10.162 1.00 0.51 H new ATOM 449 N LYS A 29 -0.009 -1.200 -8.748 1.00 0.39 N ATOM 450 CA LYS A 29 0.335 -2.586 -8.700 1.00 0.43 C ATOM 451 C LYS A 29 -0.693 -3.478 -8.095 1.00 0.44 C ATOM 452 O LYS A 29 -1.060 -4.567 -8.532 1.00 0.54 O ATOM 453 CB LYS A 29 1.623 -2.799 -7.886 1.00 0.54 C ATOM 454 CG LYS A 29 2.313 -4.156 -8.047 1.00 0.65 C ATOM 455 CD LYS A 29 3.772 -3.977 -7.623 1.00 1.08 C ATOM 456 CE LYS A 29 4.721 -3.510 -8.727 1.00 1.24 C ATOM 457 NZ LYS A 29 5.961 -2.893 -8.205 1.00 1.44 N ATOM 0 H LYS A 29 0.466 -0.647 -8.035 1.00 0.39 H new ATOM 0 HA LYS A 29 0.444 -2.857 -9.750 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.334 -2.020 -8.161 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.388 -2.658 -6.831 1.00 0.54 H new ATOM 0 HG2 LYS A 29 1.824 -4.911 -7.432 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.252 -4.498 -9.080 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.810 -3.257 -6.806 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.138 -4.925 -7.229 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.983 -4.360 -9.356 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.204 -2.791 -9.362 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.474 -2.432 -8.984 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.719 -2.185 -7.483 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.563 -3.628 -7.781 1.00 1.44 H new ATOM 471 N ILE A 30 -1.298 -2.987 -6.999 1.00 0.41 N ATOM 472 CA ILE A 30 -2.431 -3.622 -6.402 1.00 0.44 C ATOM 473 C ILE A 30 -3.555 -3.667 -7.381 1.00 0.45 C ATOM 474 O ILE A 30 -4.289 -4.649 -7.468 1.00 0.56 O ATOM 475 CB ILE A 30 -2.701 -2.873 -5.130 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.545 -2.847 -4.117 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.980 -3.386 -4.447 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.603 -1.958 -2.874 1.00 1.32 C ATOM 0 H ILE A 30 -0.997 -2.138 -6.521 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.269 -4.668 -6.143 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.828 -1.840 -5.453 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.402 -3.870 -3.770 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.646 -2.568 -4.667 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.151 -2.826 -3.528 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.829 -3.252 -5.117 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.867 -4.444 -4.211 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.691 -2.087 -2.292 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.696 -0.915 -3.177 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.464 -2.238 -2.267 1.00 1.32 H new ATOM 490 N GLN A 31 -3.758 -2.669 -8.259 1.00 0.41 N ATOM 491 CA GLN A 31 -4.743 -2.571 -9.291 1.00 0.48 C ATOM 492 C GLN A 31 -4.556 -3.647 -10.304 1.00 0.52 C ATOM 493 O GLN A 31 -5.507 -4.395 -10.529 1.00 0.66 O ATOM 494 CB GLN A 31 -4.906 -1.157 -9.873 1.00 0.52 C ATOM 495 CG GLN A 31 -5.891 -1.119 -11.044 1.00 0.70 C ATOM 496 CD GLN A 31 -6.127 0.308 -11.514 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.241 1.124 -11.765 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.428 0.686 -11.640 1.00 1.43 N ATOM 0 H GLN A 31 -3.164 -1.840 -8.241 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.714 -2.747 -8.829 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.251 -0.482 -9.090 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.935 -0.790 -10.206 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.504 -1.718 -11.869 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.838 -1.567 -10.742 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.174 0.021 -11.436 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.657 1.634 -11.939 1.00 1.43 H new ATOM 507 N ASP A 32 -3.349 -3.766 -10.885 1.00 0.50 N ATOM 508 CA ASP A 32 -2.931 -4.847 -11.724 1.00 0.60 C ATOM 509 C ASP A 32 -3.392 -6.182 -11.252 1.00 0.65 C ATOM 510 O ASP A 32 -4.101 -6.882 -11.973 1.00 0.81 O ATOM 511 CB ASP A 32 -1.402 -4.744 -11.858 1.00 0.67 C ATOM 512 CG ASP A 32 -0.932 -4.292 -13.233 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.972 -5.036 -14.249 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.401 -3.153 -13.327 1.00 1.51 O ATOM 0 H ASP A 32 -2.620 -3.064 -10.761 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.402 -4.758 -12.703 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.028 -4.046 -11.109 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.961 -5.716 -11.636 1.00 0.67 H new ATOM 519 N LYS A 33 -3.097 -6.461 -9.970 1.00 0.62 N ATOM 520 CA LYS A 33 -3.374 -7.697 -9.305 1.00 0.73 C ATOM 521 C LYS A 33 -4.806 -7.960 -8.987 1.00 0.69 C ATOM 522 O LYS A 33 -5.333 -8.922 -9.545 1.00 0.83 O ATOM 523 CB LYS A 33 -2.434 -7.923 -8.108 1.00 0.85 C ATOM 524 CG LYS A 33 -0.996 -8.263 -8.506 1.00 1.31 C ATOM 525 CD LYS A 33 -0.110 -8.471 -7.277 1.00 1.71 C ATOM 526 CE LYS A 33 1.408 -8.538 -7.459 1.00 2.26 C ATOM 527 NZ LYS A 33 1.815 -9.734 -8.233 1.00 2.62 N ATOM 0 H LYS A 33 -2.638 -5.783 -9.362 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.153 -8.462 -10.050 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.427 -7.026 -7.489 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.831 -8.731 -7.494 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.990 -9.165 -9.117 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.587 -7.460 -9.119 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.322 -7.662 -6.578 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.425 -9.398 -6.797 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.753 -7.639 -7.970 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.891 -8.555 -6.482 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.850 -9.745 -8.336 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.507 -10.592 -7.733 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.374 -9.705 -9.174 1.00 2.62 H new ATOM 541 N GLU A 34 -5.388 -7.164 -8.074 1.00 0.63 N ATOM 542 CA GLU A 34 -6.651 -7.422 -7.454 1.00 0.67 C ATOM 543 C GLU A 34 -7.776 -6.633 -8.029 1.00 0.69 C ATOM 544 O GLU A 34 -8.969 -6.923 -7.956 1.00 0.95 O ATOM 545 CB GLU A 34 -6.516 -7.121 -5.952 1.00 0.73 C ATOM 546 CG GLU A 34 -5.613 -8.025 -5.111 1.00 0.83 C ATOM 547 CD GLU A 34 -5.971 -9.480 -4.839 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.940 -9.719 -4.071 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.332 -10.402 -5.410 1.00 1.37 O ATOM 0 H GLU A 34 -4.957 -6.297 -7.752 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.900 -8.468 -7.636 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.152 -6.099 -5.849 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.515 -7.150 -5.516 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.633 -8.024 -5.588 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.496 -7.541 -4.141 1.00 0.83 H new ATOM 556 N GLY A 35 -7.412 -5.520 -8.690 1.00 0.63 N ATOM 557 CA GLY A 35 -8.315 -4.772 -9.509 1.00 0.68 C ATOM 558 C GLY A 35 -8.866 -3.547 -8.860 1.00 0.76 C ATOM 559 O GLY A 35 -9.732 -2.913 -9.462 1.00 1.12 O ATOM 0 H GLY A 35 -6.470 -5.131 -8.655 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.800 -4.483 -10.425 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.143 -5.418 -9.799 1.00 0.68 H new ATOM 563 N ILE A 36 -8.317 -3.231 -7.675 1.00 0.70 N ATOM 564 CA ILE A 36 -8.878 -2.275 -6.771 1.00 0.76 C ATOM 565 C ILE A 36 -8.417 -0.968 -7.318 1.00 0.71 C ATOM 566 O ILE A 36 -7.207 -0.753 -7.346 1.00 0.73 O ATOM 567 CB ILE A 36 -8.370 -2.510 -5.379 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.630 -3.968 -4.964 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.080 -1.529 -4.433 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.935 -4.352 -3.659 1.00 1.16 C ATOM 0 H ILE A 36 -7.454 -3.654 -7.334 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.964 -2.330 -6.697 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.294 -2.340 -5.332 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.704 -4.123 -4.856 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.290 -4.632 -5.759 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.724 -1.684 -3.414 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.864 -0.506 -4.741 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.156 -1.700 -4.472 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.157 -5.392 -3.421 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.858 -4.227 -3.770 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.293 -3.711 -2.854 1.00 1.16 H new ATOM 582 N PRO A 37 -9.270 -0.080 -7.739 1.00 0.75 N ATOM 583 CA PRO A 37 -8.847 1.152 -8.336 1.00 0.79 C ATOM 584 C PRO A 37 -8.066 2.037 -7.425 1.00 0.75 C ATOM 585 O PRO A 37 -8.329 2.039 -6.223 1.00 0.75 O ATOM 586 CB PRO A 37 -10.090 1.832 -8.907 1.00 0.95 C ATOM 587 CG PRO A 37 -11.133 0.704 -8.964 1.00 1.02 C ATOM 588 CD PRO A 37 -10.724 -0.140 -7.747 1.00 0.85 C ATOM 0 HA PRO A 37 -8.135 0.934 -9.132 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.424 2.653 -8.273 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.899 2.250 -9.895 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.152 1.081 -8.880 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.078 0.139 -9.894 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.144 0.262 -6.825 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.079 -1.167 -7.838 1.00 0.85 H new ATOM 596 N PRO A 38 -6.998 2.674 -7.805 1.00 0.81 N ATOM 597 CA PRO A 38 -6.155 3.396 -6.897 1.00 0.85 C ATOM 598 C PRO A 38 -6.645 4.578 -6.133 1.00 0.89 C ATOM 599 O PRO A 38 -6.044 5.001 -5.147 1.00 0.99 O ATOM 600 CB PRO A 38 -4.938 3.706 -7.768 1.00 1.01 C ATOM 601 CG PRO A 38 -5.483 3.690 -9.204 1.00 1.25 C ATOM 602 CD PRO A 38 -6.442 2.490 -9.136 1.00 0.98 C ATOM 0 HA PRO A 38 -6.002 2.769 -6.018 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.506 4.675 -7.517 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.153 2.963 -7.633 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.998 4.616 -9.461 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.695 3.548 -9.943 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.206 2.524 -9.913 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.923 1.537 -9.241 1.00 0.98 H new ATOM 610 N ASP A 39 -7.860 5.035 -6.483 1.00 0.96 N ATOM 611 CA ASP A 39 -8.523 6.000 -5.662 1.00 1.11 C ATOM 612 C ASP A 39 -9.213 5.367 -4.503 1.00 1.00 C ATOM 613 O ASP A 39 -9.604 6.080 -3.580 1.00 1.14 O ATOM 614 CB ASP A 39 -9.541 6.864 -6.425 1.00 1.39 C ATOM 615 CG ASP A 39 -8.819 7.838 -7.344 1.00 1.73 C ATOM 616 OD1 ASP A 39 -7.934 8.508 -6.748 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.031 7.911 -8.584 1.00 2.25 O ATOM 0 H ASP A 39 -8.374 4.745 -7.315 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.723 6.650 -5.308 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.205 6.226 -7.008 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.165 7.413 -5.719 1.00 1.39 H new ATOM 622 N GLN A 40 -9.415 4.038 -4.474 1.00 0.87 N ATOM 623 CA GLN A 40 -10.123 3.258 -3.507 1.00 0.84 C ATOM 624 C GLN A 40 -9.197 2.796 -2.434 1.00 0.67 C ATOM 625 O GLN A 40 -9.673 2.562 -1.324 1.00 0.80 O ATOM 626 CB GLN A 40 -10.945 2.142 -4.174 1.00 0.95 C ATOM 627 CG GLN A 40 -12.065 1.507 -3.348 1.00 1.32 C ATOM 628 CD GLN A 40 -12.595 0.230 -3.985 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.574 -0.856 -3.407 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.101 0.327 -5.243 1.00 2.02 N ATOM 0 H GLN A 40 -9.038 3.446 -5.214 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.865 3.883 -3.010 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.386 2.546 -5.085 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.258 1.351 -4.475 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.695 1.285 -2.347 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.881 2.221 -3.236 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.116 1.229 -5.718 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.465 -0.503 -5.712 1.00 2.02 H new ATOM 639 N GLN A 41 -7.907 2.661 -2.792 1.00 0.56 N ATOM 640 CA GLN A 41 -6.936 2.153 -1.874 1.00 0.51 C ATOM 641 C GLN A 41 -6.507 3.117 -0.823 1.00 0.49 C ATOM 642 O GLN A 41 -5.983 4.189 -1.122 1.00 0.65 O ATOM 643 CB GLN A 41 -5.749 1.693 -2.736 1.00 0.67 C ATOM 644 CG GLN A 41 -6.223 0.568 -3.657 1.00 0.69 C ATOM 645 CD GLN A 41 -4.981 0.305 -4.498 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.867 0.335 -3.976 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.196 0.189 -5.836 1.00 0.61 N ATOM 0 H GLN A 41 -7.538 2.902 -3.712 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.377 1.339 -1.299 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.363 2.526 -3.324 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.933 1.345 -2.102 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.532 -0.315 -3.097 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.073 0.871 -4.268 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.149 0.171 -6.200 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.404 0.120 -6.476 1.00 0.61 H new ATOM 656 N ARG A 42 -6.523 2.800 0.484 1.00 0.47 N ATOM 657 CA ARG A 42 -6.057 3.577 1.590 1.00 0.55 C ATOM 658 C ARG A 42 -4.962 2.711 2.110 1.00 0.46 C ATOM 659 O ARG A 42 -5.188 1.708 2.787 1.00 0.52 O ATOM 660 CB ARG A 42 -7.231 3.846 2.547 1.00 0.73 C ATOM 661 CG ARG A 42 -6.879 4.530 3.870 1.00 1.04 C ATOM 662 CD ARG A 42 -8.028 4.341 4.862 1.00 1.28 C ATOM 663 NE ARG A 42 -9.123 5.231 4.384 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.395 5.170 4.875 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.817 4.205 5.744 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.393 6.006 4.464 1.00 2.78 N ATOM 0 H ARG A 42 -6.902 1.906 0.795 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.683 4.579 1.381 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.963 4.463 2.026 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.716 2.896 2.771 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.960 4.108 4.277 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.697 5.592 3.706 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.353 3.301 4.891 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.720 4.607 5.873 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.913 5.916 3.658 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.169 3.482 6.057 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.780 4.207 6.080 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.204 6.718 3.758 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.328 5.919 4.863 1.00 2.78 H new ATOM 680 N LEU A 43 -3.692 3.024 1.796 1.00 0.46 N ATOM 681 CA LEU A 43 -2.503 2.357 2.223 1.00 0.42 C ATOM 682 C LEU A 43 -2.120 3.077 3.470 1.00 0.43 C ATOM 683 O LEU A 43 -1.886 4.285 3.441 1.00 0.55 O ATOM 684 CB LEU A 43 -1.367 2.255 1.191 1.00 0.55 C ATOM 685 CG LEU A 43 -1.705 1.316 0.021 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.651 1.353 -1.098 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.036 -0.078 0.582 1.00 1.12 C ATOM 0 H LEU A 43 -3.482 3.816 1.188 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.699 1.297 2.382 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.147 3.249 0.801 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.463 1.900 1.686 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.599 1.667 -0.494 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.943 0.671 -1.896 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.577 2.365 -1.495 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.316 1.049 -0.697 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.277 -0.753 -0.239 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.175 -0.464 1.128 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.890 -0.006 1.255 1.00 1.12 H new ATOM 699 N ILE A 44 -1.958 2.290 4.548 1.00 0.42 N ATOM 700 CA ILE A 44 -1.573 2.709 5.860 1.00 0.46 C ATOM 701 C ILE A 44 -0.318 1.950 6.124 1.00 0.42 C ATOM 702 O ILE A 44 -0.308 0.738 5.911 1.00 0.53 O ATOM 703 CB ILE A 44 -2.587 2.266 6.872 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.034 2.671 6.542 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.044 2.693 8.247 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.411 4.107 6.903 1.00 1.27 C ATOM 0 H ILE A 44 -2.108 1.282 4.497 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.471 3.792 5.925 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.702 1.182 6.867 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.199 2.528 5.474 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.711 1.994 7.063 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.747 2.394 9.025 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.081 2.213 8.423 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.919 3.776 8.269 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.450 4.290 6.630 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.286 4.257 7.975 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.766 4.799 6.362 1.00 1.27 H new ATOM 718 N PHE A 45 0.750 2.626 6.583 1.00 0.42 N ATOM 719 CA PHE A 45 1.930 1.975 7.061 1.00 0.46 C ATOM 720 C PHE A 45 1.757 1.593 8.491 1.00 0.68 C ATOM 721 O PHE A 45 1.511 0.416 8.751 1.00 1.50 O ATOM 722 CB PHE A 45 3.138 2.864 6.721 1.00 0.56 C ATOM 723 CG PHE A 45 4.463 2.231 6.973 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.701 0.887 7.145 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.440 3.137 7.309 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.958 0.477 7.520 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.720 2.729 7.606 1.00 1.33 C ATOM 728 CZ PHE A 45 6.967 1.383 7.747 1.00 1.02 C ATOM 0 H PHE A 45 0.795 3.644 6.623 1.00 0.42 H new ATOM 0 HA PHE A 45 2.121 1.023 6.566 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.079 3.148 5.670 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.072 3.783 7.304 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.913 0.166 6.988 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.199 4.189 7.341 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.157 -0.578 7.639 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.515 3.451 7.726 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.950 1.039 8.035 1.00 1.02 H new ATOM 738 N ALA A 46 1.807 2.428 9.545 1.00 0.81 N ATOM 739 CA ALA A 46 1.504 2.033 10.886 1.00 0.96 C ATOM 740 C ALA A 46 0.216 2.712 11.204 1.00 0.97 C ATOM 741 O ALA A 46 -0.829 2.067 11.118 1.00 1.21 O ATOM 742 CB ALA A 46 2.637 2.444 11.840 1.00 1.20 C ATOM 0 H ALA A 46 2.067 3.411 9.461 1.00 0.81 H new ATOM 0 HA ALA A 46 1.412 0.953 10.998 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.388 2.135 12.855 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.565 1.963 11.531 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.763 3.526 11.811 1.00 1.20 H new ATOM 748 N GLY A 47 0.142 4.017 11.521 1.00 0.99 N ATOM 749 CA GLY A 47 -1.049 4.723 11.876 1.00 1.10 C ATOM 750 C GLY A 47 -1.407 5.809 10.921 1.00 1.03 C ATOM 751 O GLY A 47 -2.558 6.228 10.805 1.00 1.30 O ATOM 0 H GLY A 47 0.967 4.616 11.530 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.876 4.016 11.935 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.924 5.152 12.870 1.00 1.10 H new ATOM 755 N LYS A 48 -0.434 6.374 10.185 1.00 0.98 N ATOM 756 CA LYS A 48 -0.589 7.375 9.176 1.00 1.05 C ATOM 757 C LYS A 48 -0.933 6.918 7.801 1.00 0.84 C ATOM 758 O LYS A 48 -0.325 6.013 7.231 1.00 0.81 O ATOM 759 CB LYS A 48 0.776 8.080 9.091 1.00 1.42 C ATOM 760 CG LYS A 48 1.240 8.907 10.292 1.00 1.61 C ATOM 761 CD LYS A 48 0.366 10.144 10.507 1.00 1.87 C ATOM 762 CE LYS A 48 0.707 11.007 11.724 1.00 2.22 C ATOM 763 NZ LYS A 48 0.683 10.153 12.933 1.00 2.55 N ATOM 0 H LYS A 48 0.543 6.107 10.307 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.439 7.985 9.479 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.532 7.319 8.899 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.757 8.737 8.222 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.219 8.288 11.189 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.275 9.216 10.142 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.430 10.768 9.616 1.00 1.87 H new ATOM 0 HD3 LYS A 48 -0.671 9.820 10.596 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.690 11.461 11.602 1.00 2.22 H new ATOM 0 HE3 LYS A 48 -0.010 11.822 11.823 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 0.693 10.753 13.782 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 -0.179 9.572 12.930 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 1.518 9.533 12.937 1.00 2.55 H new ATOM 777 N GLN A 49 -1.844 7.573 7.059 1.00 0.84 N ATOM 778 CA GLN A 49 -2.150 7.272 5.694 1.00 0.80 C ATOM 779 C GLN A 49 -1.035 7.667 4.788 1.00 0.72 C ATOM 780 O GLN A 49 -0.403 8.710 4.947 1.00 0.83 O ATOM 781 CB GLN A 49 -3.434 7.990 5.246 1.00 1.03 C ATOM 782 CG GLN A 49 -3.912 7.439 3.902 1.00 1.67 C ATOM 783 CD GLN A 49 -5.231 8.066 3.473 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.113 8.240 4.313 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.314 8.572 2.214 1.00 2.48 N ATOM 0 H GLN A 49 -2.393 8.349 7.428 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.296 6.194 5.632 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.213 7.859 5.998 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.249 9.061 5.162 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.155 7.628 3.141 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.029 6.358 3.973 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.561 8.405 1.547 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.129 9.119 1.937 1.00 2.48 H new ATOM 794 N LEU A 50 -0.690 6.926 3.720 1.00 0.69 N ATOM 795 CA LEU A 50 0.427 7.230 2.882 1.00 0.66 C ATOM 796 C LEU A 50 -0.004 8.107 1.757 1.00 0.72 C ATOM 797 O LEU A 50 -1.048 7.798 1.183 1.00 0.90 O ATOM 798 CB LEU A 50 1.028 5.950 2.277 1.00 0.65 C ATOM 799 CG LEU A 50 1.511 4.942 3.333 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.117 3.665 2.726 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.302 5.471 4.541 1.00 0.74 C ATOM 0 H LEU A 50 -1.202 6.092 3.432 1.00 0.69 H new ATOM 0 HA LEU A 50 1.173 7.731 3.499 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.281 5.471 1.644 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.865 6.220 1.634 1.00 0.65 H new ATOM 0 HG LEU A 50 0.566 4.672 3.804 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.437 2.998 3.527 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.369 3.163 2.113 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.975 3.928 2.108 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.570 4.639 5.193 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.208 5.967 4.194 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.689 6.182 5.094 1.00 0.74 H new ATOM 813 N GLU A 51 0.840 9.079 1.370 1.00 0.70 N ATOM 814 CA GLU A 51 0.576 10.034 0.339 1.00 0.76 C ATOM 815 C GLU A 51 1.086 9.579 -0.985 1.00 0.77 C ATOM 816 O GLU A 51 2.159 8.990 -1.111 1.00 1.23 O ATOM 817 CB GLU A 51 1.093 11.445 0.664 1.00 0.88 C ATOM 818 CG GLU A 51 0.555 12.041 1.967 1.00 1.35 C ATOM 819 CD GLU A 51 1.056 13.469 2.129 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.038 13.950 1.502 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.445 14.194 2.959 1.00 1.89 O ATOM 0 H GLU A 51 1.756 9.205 1.800 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.510 10.104 0.284 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.181 11.415 0.717 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.832 12.111 -0.159 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.535 12.027 1.961 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.876 11.435 2.814 1.00 1.35 H new ATOM 828 N ASP A 52 0.311 9.954 -2.018 1.00 0.66 N ATOM 829 CA ASP A 52 0.435 9.439 -3.347 1.00 0.65 C ATOM 830 C ASP A 52 1.770 9.715 -3.945 1.00 0.60 C ATOM 831 O ASP A 52 2.561 8.846 -4.310 1.00 0.62 O ATOM 832 CB ASP A 52 -0.765 9.923 -4.178 1.00 0.81 C ATOM 833 CG ASP A 52 -2.030 9.114 -3.927 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.535 9.016 -2.777 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.488 8.436 -4.885 1.00 1.44 O ATOM 0 H ASP A 52 -0.433 10.645 -1.924 1.00 0.66 H new ATOM 0 HA ASP A 52 0.397 8.350 -3.330 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.959 10.971 -3.949 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.511 9.870 -5.237 1.00 0.81 H new ATOM 840 N GLY A 53 2.138 10.993 -4.149 1.00 0.68 N ATOM 841 CA GLY A 53 3.409 11.403 -4.660 1.00 0.73 C ATOM 842 C GLY A 53 4.524 11.459 -3.675 1.00 0.72 C ATOM 843 O GLY A 53 5.409 12.293 -3.860 1.00 0.97 O ATOM 0 H GLY A 53 1.519 11.778 -3.948 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.693 10.721 -5.461 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.297 12.391 -5.107 1.00 0.73 H new ATOM 847 N ARG A 54 4.663 10.525 -2.716 1.00 0.64 N ATOM 848 CA ARG A 54 5.851 10.373 -1.936 1.00 0.63 C ATOM 849 C ARG A 54 6.427 9.037 -2.258 1.00 0.59 C ATOM 850 O ARG A 54 5.740 8.192 -2.831 1.00 0.62 O ATOM 851 CB ARG A 54 5.582 10.485 -0.426 1.00 0.69 C ATOM 852 CG ARG A 54 5.231 11.926 -0.045 1.00 0.82 C ATOM 853 CD ARG A 54 5.057 11.975 1.475 1.00 1.18 C ATOM 854 NE ARG A 54 4.880 13.404 1.856 1.00 1.50 N ATOM 855 CZ ARG A 54 5.641 14.145 2.712 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.845 13.745 3.215 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.216 15.417 2.971 1.00 2.49 N ATOM 0 H ARG A 54 3.929 9.858 -2.477 1.00 0.64 H new ATOM 0 HA ARG A 54 6.545 11.177 -2.182 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.765 9.820 -0.147 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.461 10.160 0.130 1.00 0.69 H new ATOM 0 HG2 ARG A 54 6.019 12.609 -0.362 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.316 12.242 -0.545 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.193 11.386 1.782 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.927 11.549 1.975 1.00 1.18 H new ATOM 0 HE ARG A 54 4.093 13.888 1.424 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.231 12.837 2.954 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.359 14.354 3.852 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.366 15.770 2.531 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.748 16.014 3.604 1.00 2.49 H new ATOM 871 N THR A 55 7.733 8.890 -1.970 1.00 0.63 N ATOM 872 CA THR A 55 8.510 7.699 -2.118 1.00 0.61 C ATOM 873 C THR A 55 8.361 6.820 -0.925 1.00 0.59 C ATOM 874 O THR A 55 7.965 7.151 0.191 1.00 0.64 O ATOM 875 CB THR A 55 9.911 7.906 -2.615 1.00 0.68 C ATOM 876 OG1 THR A 55 10.670 8.562 -1.609 1.00 0.75 O ATOM 877 CG2 THR A 55 9.935 8.776 -3.882 1.00 0.76 C ATOM 0 H THR A 55 8.287 9.665 -1.606 1.00 0.63 H new ATOM 0 HA THR A 55 8.087 7.143 -2.955 1.00 0.61 H new ATOM 0 HB THR A 55 10.332 6.929 -2.851 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.587 8.698 -1.928 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.965 8.906 -4.215 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.358 8.289 -4.668 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.499 9.751 -3.662 1.00 0.76 H new ATOM 885 N LEU A 56 8.585 5.495 -0.997 1.00 0.58 N ATOM 886 CA LEU A 56 8.626 4.620 0.133 1.00 0.59 C ATOM 887 C LEU A 56 9.786 4.815 1.047 1.00 0.64 C ATOM 888 O LEU A 56 9.790 4.615 2.261 1.00 0.70 O ATOM 889 CB LEU A 56 8.811 3.204 -0.437 1.00 0.60 C ATOM 890 CG LEU A 56 7.613 2.577 -1.170 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.129 1.493 -2.130 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.538 1.902 -0.301 1.00 1.03 C ATOM 0 H LEU A 56 8.744 5.013 -1.882 1.00 0.58 H new ATOM 0 HA LEU A 56 7.717 4.806 0.705 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.655 3.226 -1.127 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.087 2.543 0.384 1.00 0.60 H new ATOM 0 HG LEU A 56 7.132 3.428 -1.652 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.287 1.042 -2.655 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.810 1.942 -2.853 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.656 0.726 -1.563 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.751 1.502 -0.941 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.989 1.091 0.270 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.111 2.635 0.384 1.00 1.03 H new ATOM 904 N SER A 57 10.900 5.345 0.509 1.00 0.68 N ATOM 905 CA SER A 57 12.102 5.777 1.152 1.00 0.75 C ATOM 906 C SER A 57 11.824 6.964 2.008 1.00 0.76 C ATOM 907 O SER A 57 12.538 7.176 2.987 1.00 0.84 O ATOM 908 CB SER A 57 13.199 6.220 0.169 1.00 0.84 C ATOM 909 OG SER A 57 14.492 6.349 0.739 1.00 1.19 O ATOM 0 H SER A 57 10.960 5.486 -0.499 1.00 0.68 H new ATOM 0 HA SER A 57 12.449 4.913 1.719 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.248 5.500 -0.648 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.912 7.177 -0.266 1.00 0.84 H new ATOM 0 HG SER A 57 15.127 6.632 0.048 1.00 1.19 H new ATOM 915 N ASP A 58 10.885 7.859 1.652 1.00 0.75 N ATOM 916 CA ASP A 58 10.461 8.909 2.526 1.00 0.78 C ATOM 917 C ASP A 58 9.791 8.442 3.772 1.00 0.77 C ATOM 918 O ASP A 58 10.105 8.969 4.838 1.00 0.86 O ATOM 919 CB ASP A 58 9.465 9.793 1.758 1.00 0.83 C ATOM 920 CG ASP A 58 9.301 11.210 2.290 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.269 12.009 2.174 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.185 11.532 2.778 1.00 1.90 O ATOM 0 H ASP A 58 10.414 7.854 0.747 1.00 0.75 H new ATOM 0 HA ASP A 58 11.362 9.440 2.834 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.783 9.849 0.717 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.490 9.305 1.767 1.00 0.83 H new ATOM 927 N TYR A 59 9.027 7.335 3.754 1.00 0.72 N ATOM 928 CA TYR A 59 8.410 6.804 4.930 1.00 0.73 C ATOM 929 C TYR A 59 9.295 5.832 5.631 1.00 0.76 C ATOM 930 O TYR A 59 8.922 5.275 6.662 1.00 0.89 O ATOM 931 CB TYR A 59 7.109 6.013 4.708 1.00 0.73 C ATOM 932 CG TYR A 59 6.032 6.980 4.353 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.393 7.637 5.378 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.647 7.178 3.048 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.389 8.533 5.098 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.676 8.123 2.811 1.00 0.70 C ATOM 937 CZ TYR A 59 3.989 8.777 3.806 1.00 0.74 C ATOM 938 OH TYR A 59 2.989 9.738 3.543 1.00 0.86 O ATOM 0 H TYR A 59 8.834 6.799 2.908 1.00 0.72 H new ATOM 0 HA TYR A 59 8.205 7.712 5.496 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.240 5.281 3.911 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.842 5.460 5.608 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.680 7.449 6.402 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.090 6.614 2.241 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.905 9.056 5.910 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.440 8.365 1.785 1.00 0.70 H new ATOM 0 HH TYR A 59 3.343 10.635 3.720 1.00 0.86 H new ATOM 948 N ASN A 60 10.474 5.538 5.054 1.00 0.74 N ATOM 949 CA ASN A 60 11.434 4.570 5.484 1.00 0.79 C ATOM 950 C ASN A 60 10.927 3.179 5.652 1.00 0.75 C ATOM 951 O ASN A 60 11.158 2.517 6.662 1.00 0.86 O ATOM 952 CB ASN A 60 12.041 5.025 6.822 1.00 0.95 C ATOM 953 CG ASN A 60 12.575 6.451 6.809 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.194 7.376 7.524 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.608 6.596 5.936 1.00 1.83 N ATOM 0 H ASN A 60 10.781 6.023 4.211 1.00 0.74 H new ATOM 0 HA ASN A 60 12.165 4.523 4.677 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.283 4.939 7.601 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.851 4.347 7.090 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.090 7.492 5.861 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.900 5.809 5.357 1.00 1.83 H new ATOM 962 N ILE A 61 10.237 2.735 4.586 1.00 0.67 N ATOM 963 CA ILE A 61 9.670 1.427 4.474 1.00 0.65 C ATOM 964 C ILE A 61 10.757 0.465 4.139 1.00 0.66 C ATOM 965 O ILE A 61 11.402 0.605 3.100 1.00 0.75 O ATOM 966 CB ILE A 61 8.611 1.545 3.418 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.428 2.272 4.081 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.226 0.158 2.878 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.403 2.779 3.068 1.00 0.82 C ATOM 0 H ILE A 61 10.067 3.315 3.764 1.00 0.67 H new ATOM 0 HA ILE A 61 9.217 1.052 5.392 1.00 0.65 H new ATOM 0 HB ILE A 61 8.958 2.107 2.551 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.937 1.595 4.780 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.804 3.113 4.663 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.457 0.266 2.113 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.104 -0.320 2.444 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.844 -0.457 3.693 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.591 3.283 3.593 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.883 3.479 2.384 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.002 1.937 2.503 1.00 0.82 H new ATOM 981 N GLN A 62 10.910 -0.628 4.908 1.00 0.67 N ATOM 982 CA GLN A 62 11.940 -1.612 4.779 1.00 0.70 C ATOM 983 C GLN A 62 11.421 -2.837 4.111 1.00 0.62 C ATOM 984 O GLN A 62 10.226 -3.003 3.870 1.00 0.64 O ATOM 985 CB GLN A 62 12.463 -1.953 6.185 1.00 0.85 C ATOM 986 CG GLN A 62 12.996 -0.836 7.084 1.00 1.27 C ATOM 987 CD GLN A 62 14.049 0.025 6.398 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.216 -0.293 6.177 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.613 1.298 6.202 1.00 2.16 N ATOM 0 H GLN A 62 10.269 -0.838 5.673 1.00 0.67 H new ATOM 0 HA GLN A 62 12.748 -1.217 4.163 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.654 -2.447 6.723 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.261 -2.686 6.067 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.166 -0.204 7.400 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.424 -1.275 7.985 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.640 1.539 6.392 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.259 2.012 5.865 1.00 2.16 H new ATOM 998 N LYS A 63 12.316 -3.806 3.841 1.00 0.64 N ATOM 999 CA LYS A 63 11.926 -5.047 3.248 1.00 0.62 C ATOM 1000 C LYS A 63 11.183 -6.046 4.068 1.00 0.59 C ATOM 1001 O LYS A 63 10.754 -7.066 3.531 1.00 0.66 O ATOM 1002 CB LYS A 63 13.224 -5.648 2.683 1.00 0.74 C ATOM 1003 CG LYS A 63 14.262 -6.125 3.700 1.00 0.89 C ATOM 1004 CD LYS A 63 15.545 -6.722 3.119 1.00 1.11 C ATOM 1005 CE LYS A 63 16.505 -5.799 2.364 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.607 -6.634 1.840 1.00 2.12 N ATOM 0 H LYS A 63 13.314 -3.728 4.035 1.00 0.64 H new ATOM 0 HA LYS A 63 11.161 -4.808 2.509 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.959 -6.492 2.047 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.694 -4.901 2.043 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.533 -5.282 4.336 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.796 -6.872 4.342 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.100 -7.177 3.940 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.259 -7.527 2.442 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.988 -5.292 1.549 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.892 -5.025 3.026 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.279 -6.035 1.320 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.097 -7.098 2.631 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.221 -7.357 1.200 1.00 2.12 H new ATOM 1020 N GLU A 64 11.105 -5.757 5.379 1.00 0.57 N ATOM 1021 CA GLU A 64 10.384 -6.565 6.313 1.00 0.58 C ATOM 1022 C GLU A 64 9.129 -5.870 6.716 1.00 0.56 C ATOM 1023 O GLU A 64 8.445 -6.275 7.655 1.00 0.70 O ATOM 1024 CB GLU A 64 11.343 -6.897 7.468 1.00 0.72 C ATOM 1025 CG GLU A 64 11.838 -5.641 8.189 1.00 0.96 C ATOM 1026 CD GLU A 64 12.797 -6.008 9.312 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.872 -6.554 8.945 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.529 -5.729 10.511 1.00 1.69 O ATOM 0 H GLU A 64 11.553 -4.943 5.800 1.00 0.57 H new ATOM 0 HA GLU A 64 10.052 -7.511 5.885 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.838 -7.548 8.182 1.00 0.72 H new ATOM 0 HB3 GLU A 64 12.197 -7.452 7.080 1.00 0.72 H new ATOM 0 HG2 GLU A 64 12.337 -4.981 7.479 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.989 -5.090 8.594 1.00 0.96 H new ATOM 1035 N SER A 65 8.785 -4.739 6.076 1.00 0.51 N ATOM 1036 CA SER A 65 7.692 -3.939 6.538 1.00 0.51 C ATOM 1037 C SER A 65 6.375 -4.414 6.030 1.00 0.43 C ATOM 1038 O SER A 65 6.276 -4.910 4.909 1.00 0.50 O ATOM 1039 CB SER A 65 7.793 -2.482 6.058 1.00 0.65 C ATOM 1040 OG SER A 65 8.726 -1.696 6.785 1.00 1.04 O ATOM 0 H SER A 65 9.258 -4.380 5.246 1.00 0.51 H new ATOM 0 HA SER A 65 7.753 -4.017 7.624 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.072 -2.476 5.004 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.809 -2.018 6.130 1.00 0.65 H new ATOM 0 HG SER A 65 8.279 -0.896 7.132 1.00 1.04 H new ATOM 1046 N THR A 66 5.287 -4.318 6.816 1.00 0.45 N ATOM 1047 CA THR A 66 3.924 -4.723 6.652 1.00 0.45 C ATOM 1048 C THR A 66 3.169 -3.446 6.514 1.00 0.43 C ATOM 1049 O THR A 66 3.165 -2.554 7.362 1.00 0.58 O ATOM 1050 CB THR A 66 3.346 -5.546 7.764 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.001 -6.805 7.794 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.838 -5.749 7.545 1.00 0.78 C ATOM 0 H THR A 66 5.393 -3.875 7.729 1.00 0.45 H new ATOM 0 HA THR A 66 3.856 -5.389 5.792 1.00 0.45 H new ATOM 0 HB THR A 66 3.493 -5.029 8.712 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.630 -7.349 8.520 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.430 -6.348 8.359 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.340 -4.780 7.522 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.674 -6.263 6.598 1.00 0.78 H new ATOM 1060 N LEU A 67 2.492 -3.292 5.363 1.00 0.38 N ATOM 1061 CA LEU A 67 1.608 -2.219 5.028 1.00 0.38 C ATOM 1062 C LEU A 67 0.256 -2.834 5.154 1.00 0.37 C ATOM 1063 O LEU A 67 0.058 -4.031 4.954 1.00 0.50 O ATOM 1064 CB LEU A 67 1.765 -1.655 3.605 1.00 0.46 C ATOM 1065 CG LEU A 67 2.835 -0.570 3.401 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.237 -0.891 3.947 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.920 -0.287 1.891 1.00 1.31 C ATOM 0 H LEU A 67 2.570 -3.973 4.607 1.00 0.38 H new ATOM 0 HA LEU A 67 1.808 -1.366 5.677 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.991 -2.484 2.934 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.804 -1.246 3.294 1.00 0.46 H new ATOM 0 HG LEU A 67 2.515 0.293 3.985 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.906 -0.054 3.746 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.179 -1.059 5.022 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.621 -1.788 3.460 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.672 0.481 1.706 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.197 -1.200 1.365 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.951 0.060 1.531 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.775 -1.989 5.332 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.140 -2.358 5.546 1.00 0.37 C ATOM 1081 C HIS A 68 -2.986 -1.769 4.472 1.00 0.35 C ATOM 1082 O HIS A 68 -2.902 -0.560 4.262 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.577 -1.976 6.970 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.669 -2.405 8.084 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.558 -1.669 8.442 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.738 -3.419 8.988 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.011 -2.359 9.466 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.630 -3.460 9.812 1.00 1.51 N ATOM 0 H HIS A 68 -0.645 -0.977 5.326 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.262 -3.439 5.480 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.685 -0.892 7.015 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.564 -2.402 7.150 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.233 -0.795 8.028 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.564 -4.112 9.054 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.916 -2.032 9.957 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.787 -2.545 3.720 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.568 -1.994 2.656 1.00 0.38 C ATOM 1098 C LEU A 69 -5.981 -1.955 3.126 1.00 0.41 C ATOM 1099 O LEU A 69 -6.653 -2.984 3.198 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.509 -2.909 1.422 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.491 -2.656 0.265 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.284 -1.285 -0.400 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.286 -3.790 -0.755 1.00 1.14 C ATOM 0 H LEU A 69 -3.894 -3.551 3.848 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.191 -1.006 2.390 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.499 -2.851 1.016 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.658 -3.933 1.763 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.510 -2.645 0.651 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.004 -1.161 -1.209 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.429 -0.497 0.339 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.273 -1.224 -0.802 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.965 -3.650 -1.596 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.257 -3.775 -1.113 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.491 -4.749 -0.279 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.461 -0.783 3.579 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.836 -0.549 3.891 1.00 0.56 C ATOM 1117 C VAL A 70 -8.459 -0.064 2.627 1.00 0.55 C ATOM 1118 O VAL A 70 -7.839 0.549 1.760 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.945 0.422 5.029 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.429 0.593 5.391 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.250 -0.221 6.241 1.00 0.97 C ATOM 0 H VAL A 70 -5.868 0.033 3.734 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.357 -1.444 4.231 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.502 1.381 4.763 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.523 1.297 6.218 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.973 0.974 4.527 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.845 -0.370 5.686 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.307 0.455 7.094 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.745 -1.160 6.489 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.205 -0.415 6.000 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.770 -0.306 2.448 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.400 0.221 1.278 1.00 0.84 C ATOM 1133 C LEU A 71 -11.302 1.319 1.726 1.00 0.85 C ATOM 1134 O LEU A 71 -12.200 1.136 2.547 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.216 -0.850 0.535 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.389 -2.011 -0.044 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.062 -3.109 -0.884 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.132 -1.458 -0.736 1.00 2.78 C ATOM 0 H LEU A 71 -10.369 -0.839 3.078 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.640 0.579 0.583 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.959 -1.259 1.219 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.761 -0.371 -0.278 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.161 -2.589 0.852 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.313 -3.836 -1.200 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.824 -3.609 -0.286 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.527 -2.662 -1.763 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.549 -2.283 -1.145 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.426 -0.787 -1.543 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.529 -0.911 -0.011 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.128 2.484 1.078 1.00 0.92 N ATOM 1151 CA ARG A 72 -11.855 3.704 1.248 1.00 1.10 C ATOM 1152 C ARG A 72 -13.091 3.664 0.416 1.00 1.35 C ATOM 1153 O ARG A 72 -13.104 3.575 -0.811 1.00 1.56 O ATOM 1154 CB ARG A 72 -10.958 4.832 0.711 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.493 6.254 0.891 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.760 7.259 0.001 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.369 8.591 0.279 1.00 2.54 N ATOM 1158 CZ ARG A 72 -10.638 9.736 0.138 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.549 9.943 -0.658 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -11.067 10.809 0.865 1.00 3.75 N ATOM 0 H ARG A 72 -10.406 2.579 0.364 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.122 3.853 2.294 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -9.988 4.764 1.204 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -10.788 4.660 -0.352 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.558 6.273 0.658 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.389 6.551 1.935 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -9.693 7.267 0.221 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.866 6.996 -1.051 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.343 8.648 0.578 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -9.192 9.186 -1.241 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -9.092 10.855 -0.670 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -11.887 10.723 1.466 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -10.568 11.697 0.808 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.278 3.796 1.035 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.516 4.057 0.369 1.00 1.93 C ATOM 1176 C LEU A 73 -15.568 5.403 -0.270 1.00 2.13 C ATOM 1177 O LEU A 73 -15.034 6.349 0.306 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.740 3.831 1.271 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.808 2.374 1.758 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -17.822 2.255 2.908 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.337 1.334 0.755 1.00 3.14 C ATOM 0 H LEU A 73 -14.379 3.717 2.047 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.561 3.320 -0.433 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.693 4.502 2.128 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.650 4.077 0.723 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.766 2.163 1.998 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.866 1.221 3.249 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.513 2.896 3.733 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.807 2.564 2.558 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.335 0.348 1.219 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.354 1.595 0.462 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.697 1.321 -0.127 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.215 5.569 -1.438 1.00 2.32 N ATOM 1194 CA ARG A 74 -16.459 6.885 -1.944 1.00 2.55 C ATOM 1195 C ARG A 74 -17.582 7.504 -1.186 1.00 2.58 C ATOM 1196 O ARG A 74 -18.736 7.084 -1.117 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.802 6.766 -3.438 1.00 3.29 C ATOM 1198 CG ARG A 74 -15.992 7.717 -4.323 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.088 7.386 -5.813 1.00 4.67 C ATOM 1200 NE ARG A 74 -14.904 8.066 -6.410 1.00 5.36 N ATOM 1201 CZ ARG A 74 -14.240 7.644 -7.525 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -14.623 6.599 -8.315 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -13.069 8.256 -7.865 1.00 6.80 N ATOM 0 H ARG A 74 -16.563 4.809 -2.022 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.580 7.519 -1.825 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -16.627 5.740 -3.763 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.864 6.968 -3.577 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -16.340 8.737 -4.161 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -14.946 7.685 -4.017 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -16.060 6.310 -5.986 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.019 7.754 -6.244 1.00 4.67 H new ATOM 0 HE ARG A 74 -14.564 8.911 -5.950 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.464 6.069 -8.087 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -14.068 6.348 -9.133 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -12.704 9.015 -7.289 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -12.558 7.955 -8.695 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.258 8.520 -0.365 1.00 2.73 N ATOM 1218 CA GLY A 75 -18.226 9.108 0.508 1.00 3.22 C ATOM 1219 C GLY A 75 -17.465 10.042 1.385 1.00 3.16 C ATOM 1220 O GLY A 75 -17.812 11.220 1.456 1.00 3.57 O ATOM 0 H GLY A 75 -16.327 8.933 -0.306 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -18.992 9.639 -0.058 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -18.736 8.346 1.097 1.00 3.22 H new ATOM 1224 N GLY A 76 -16.368 9.637 2.050 1.00 3.14 N ATOM 1225 CA GLY A 76 -15.503 10.450 2.847 1.00 3.37 C ATOM 1226 C GLY A 76 -14.225 9.650 3.051 1.00 3.48 C ATOM 1227 O GLY A 76 -13.988 9.175 4.193 1.00 3.87 O ATOM 1228 OXT GLY A 76 -13.582 9.263 2.037 1.00 3.70 O ATOM 0 H GLY A 76 -16.063 8.664 2.027 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -15.293 11.397 2.349 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -15.968 10.689 3.803 1.00 3.37 H new TER 1232 GLY A 76