USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -170:sc= 0.13 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.686 K(o=0.82,f=-5.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 155:sc= 1.56 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.895 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 177:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.179) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.32 (180deg=1.65) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.16 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.479 K(o=-0.48,f=-3.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.52 K(o=-0.52,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= 0.997 K(o=1,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00115 K(o=-0.0012,f=-0.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.284 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.012 -6.924 -5.345 1.00 9.67 N ATOM 2 CA MET A 1 11.183 -7.212 -3.889 1.00 10.38 C ATOM 3 C MET A 1 9.890 -7.583 -3.216 1.00 9.62 C ATOM 4 O MET A 1 8.875 -6.942 -3.413 1.00 9.62 O ATOM 5 CB MET A 1 11.905 -6.144 -2.941 1.00 13.77 C ATOM 6 CG MET A 1 11.030 -4.904 -2.682 1.00 16.29 C ATOM 7 SD MET A 1 12.010 -3.542 -1.990 1.00 17.17 S ATOM 8 CE MET A 1 10.593 -2.451 -2.182 1.00 16.11 C ATOM 0 H1 MET A 1 11.916 -7.074 -5.837 1.00 9.67 H new ATOM 0 H2 MET A 1 10.292 -7.560 -5.742 1.00 9.67 H new ATOM 0 H3 MET A 1 10.709 -5.937 -5.470 1.00 9.67 H new ATOM 0 HA MET A 1 11.888 -8.039 -3.977 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.153 -6.615 -1.990 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.845 -5.833 -3.398 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.564 -4.583 -3.614 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.224 -5.161 -1.995 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.802 -1.495 -1.703 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.398 -2.290 -3.242 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.718 -2.906 -1.717 1.00 16.11 H new ATOM 20 N GLN A 2 9.909 -8.678 -2.361 1.00 9.27 N ATOM 21 CA GLN A 2 8.805 -9.082 -1.529 1.00 9.07 C ATOM 22 C GLN A 2 8.354 -8.128 -0.494 1.00 8.72 C ATOM 23 O GLN A 2 9.180 -7.551 0.191 1.00 8.22 O ATOM 24 CB GLN A 2 9.045 -10.462 -0.862 1.00 14.46 C ATOM 25 CG GLN A 2 7.842 -11.151 -0.213 1.00 17.01 C ATOM 26 CD GLN A 2 8.161 -12.551 0.184 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.620 -12.840 1.319 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.855 -13.551 -0.661 1.00 19.49 N ATOM 0 H GLN A 2 10.725 -9.283 -2.263 1.00 9.27 H new ATOM 0 HA GLN A 2 7.994 -9.130 -2.256 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.451 -11.135 -1.617 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.814 -10.338 -0.099 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.528 -10.586 0.665 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.003 -11.152 -0.909 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.481 -13.340 -1.586 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.996 -14.520 -0.377 1.00 19.49 H new ATOM 37 N ILE A 3 7.024 -7.949 -0.276 1.00 5.87 N ATOM 38 CA ILE A 3 6.439 -7.153 0.810 1.00 5.07 C ATOM 39 C ILE A 3 5.115 -7.777 1.169 1.00 4.01 C ATOM 40 O ILE A 3 4.635 -8.740 0.533 1.00 4.61 O ATOM 41 CB ILE A 3 6.188 -5.647 0.522 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.231 -5.259 -0.643 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.585 -4.944 0.338 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.814 -3.804 -0.524 1.00 10.83 C ATOM 0 H ILE A 3 6.316 -8.373 -0.876 1.00 5.87 H new ATOM 0 HA ILE A 3 7.183 -7.168 1.606 1.00 5.07 H new ATOM 0 HB ILE A 3 5.633 -5.297 1.392 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.727 -5.425 -1.600 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.349 -5.899 -0.626 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.435 -3.884 0.134 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.173 -5.059 1.249 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.116 -5.402 -0.497 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.145 -3.549 -1.346 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.299 -3.649 0.424 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.698 -3.168 -0.565 1.00 10.83 H new ATOM 56 N PHE A 4 4.602 -7.222 2.331 1.00 4.55 N ATOM 57 CA PHE A 4 3.390 -7.750 2.969 1.00 4.68 C ATOM 58 C PHE A 4 2.431 -6.570 3.241 1.00 5.30 C ATOM 59 O PHE A 4 2.846 -5.473 3.522 1.00 5.58 O ATOM 60 CB PHE A 4 3.626 -8.399 4.328 1.00 4.83 C ATOM 61 CG PHE A 4 4.769 -9.368 4.260 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.841 -10.548 3.502 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.951 -9.058 4.998 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.922 -11.370 3.468 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.057 -9.933 4.997 1.00 10.61 C ATOM 66 CZ PHE A 4 7.034 -11.100 4.286 1.00 8.90 C ATOM 0 H PHE A 4 5.020 -6.427 2.814 1.00 4.55 H new ATOM 0 HA PHE A 4 3.001 -8.504 2.285 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.837 -7.631 5.072 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.723 -8.916 4.652 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.981 -10.820 2.908 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.999 -8.140 5.565 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.928 -12.229 2.814 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.937 -9.677 5.568 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.853 -11.801 4.351 1.00 8.90 H new ATOM 76 N VAL A 5 1.118 -6.815 3.124 1.00 4.44 N ATOM 77 CA VAL A 5 0.108 -5.814 3.280 1.00 3.87 C ATOM 78 C VAL A 5 -1.053 -6.343 4.155 1.00 4.93 C ATOM 79 O VAL A 5 -1.658 -7.330 3.802 1.00 6.84 O ATOM 80 CB VAL A 5 -0.389 -5.315 1.957 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.771 -4.620 2.053 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.637 -4.421 1.280 1.00 9.13 C ATOM 0 H VAL A 5 0.743 -7.740 2.914 1.00 4.44 H new ATOM 0 HA VAL A 5 0.559 -4.964 3.791 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.533 -6.196 1.332 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.077 -4.281 1.063 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.507 -5.326 2.438 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.702 -3.764 2.725 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.245 -4.077 0.323 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.847 -3.562 1.917 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.556 -4.983 1.114 1.00 9.13 H new ATOM 92 N LYS A 6 -1.351 -5.718 5.329 1.00 6.04 N ATOM 93 CA LYS A 6 -2.310 -6.330 6.182 1.00 6.12 C ATOM 94 C LYS A 6 -3.651 -5.591 6.094 1.00 6.57 C ATOM 95 O LYS A 6 -3.636 -4.406 6.374 1.00 5.76 O ATOM 96 CB LYS A 6 -1.884 -6.348 7.716 1.00 7.45 C ATOM 97 CG LYS A 6 -1.139 -7.639 8.034 1.00 11.12 C ATOM 98 CD LYS A 6 -0.842 -7.675 9.522 1.00 14.54 C ATOM 99 CE LYS A 6 -0.029 -8.881 10.012 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.741 -10.153 9.745 1.00 20.55 N ATOM 0 H LYS A 6 -0.947 -4.842 5.660 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.387 -7.359 5.832 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.250 -5.489 7.936 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.768 -6.263 8.349 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.740 -8.502 7.747 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.212 -7.691 7.462 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.303 -6.765 9.788 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.788 -7.655 10.063 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.942 -8.894 9.516 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.160 -8.785 11.081 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.146 -10.953 10.041 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.633 -10.170 10.279 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.944 -10.230 8.728 1.00 20.55 H new ATOM 114 N THR A 7 -4.776 -6.215 5.748 1.00 7.41 N ATOM 115 CA THR A 7 -6.101 -5.613 5.823 1.00 7.48 C ATOM 116 C THR A 7 -6.817 -5.581 7.184 1.00 8.75 C ATOM 117 O THR A 7 -6.255 -6.056 8.184 1.00 8.58 O ATOM 118 CB THR A 7 -7.033 -6.349 4.895 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.354 -7.644 5.380 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.392 -6.554 3.486 1.00 9.17 C ATOM 0 H THR A 7 -4.789 -7.174 5.401 1.00 7.41 H new ATOM 0 HA THR A 7 -5.895 -4.574 5.566 1.00 7.48 H new ATOM 0 HB THR A 7 -7.928 -5.730 4.834 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.216 -7.927 5.010 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.091 -7.088 2.842 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.162 -5.584 3.046 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.474 -7.134 3.585 1.00 9.17 H new ATOM 128 N LEU A 8 -8.074 -5.114 7.256 1.00 9.84 N ATOM 129 CA LEU A 8 -8.937 -5.330 8.402 1.00 14.15 C ATOM 130 C LEU A 8 -9.934 -6.515 8.201 1.00 17.37 C ATOM 131 O LEU A 8 -10.996 -6.668 8.866 1.00 17.01 O ATOM 132 CB LEU A 8 -9.747 -4.066 8.769 1.00 16.63 C ATOM 133 CG LEU A 8 -8.898 -2.751 9.032 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.668 -1.488 9.274 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.811 -2.894 10.120 1.00 18.59 C ATOM 0 H LEU A 8 -8.512 -4.574 6.510 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.258 -5.579 9.217 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.453 -3.864 7.964 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.334 -4.281 9.662 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.419 -2.642 8.059 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.973 -0.665 9.440 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.290 -1.269 8.406 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.302 -1.611 10.152 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.282 -1.948 10.232 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.278 -3.163 11.068 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.105 -3.672 9.829 1.00 18.59 H new ATOM 147 N THR A 9 -9.670 -7.446 7.249 1.00 18.33 N ATOM 148 CA THR A 9 -10.623 -8.504 6.891 1.00 19.24 C ATOM 149 C THR A 9 -10.086 -9.884 7.126 1.00 19.48 C ATOM 150 O THR A 9 -10.692 -10.879 6.775 1.00 23.14 O ATOM 151 CB THR A 9 -11.144 -8.388 5.474 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.988 -8.219 4.626 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.949 -7.109 5.241 1.00 19.70 C ATOM 0 H THR A 9 -8.799 -7.477 6.719 1.00 18.33 H new ATOM 0 HA THR A 9 -11.462 -8.348 7.569 1.00 19.24 H new ATOM 0 HB THR A 9 -11.762 -9.264 5.278 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.276 -8.140 3.693 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.296 -7.081 4.208 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.807 -7.092 5.913 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.318 -6.242 5.435 1.00 19.70 H new ATOM 161 N GLY A 10 -8.906 -10.031 7.673 1.00 19.43 N ATOM 162 CA GLY A 10 -8.420 -11.310 8.119 1.00 18.74 C ATOM 163 C GLY A 10 -7.321 -11.828 7.154 1.00 17.62 C ATOM 164 O GLY A 10 -7.011 -13.020 7.200 1.00 19.74 O ATOM 0 H GLY A 10 -8.253 -9.262 7.822 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.017 -11.223 9.128 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.242 -12.025 8.164 1.00 18.74 H new ATOM 168 N LYS A 11 -6.727 -10.990 6.326 1.00 13.56 N ATOM 169 CA LYS A 11 -5.896 -11.387 5.171 1.00 11.91 C ATOM 170 C LYS A 11 -4.610 -10.568 5.310 1.00 10.18 C ATOM 171 O LYS A 11 -4.527 -9.384 5.650 1.00 9.10 O ATOM 172 CB LYS A 11 -6.510 -11.079 3.774 1.00 13.43 C ATOM 173 CG LYS A 11 -5.729 -11.602 2.637 1.00 16.69 C ATOM 174 CD LYS A 11 -6.327 -11.353 1.225 1.00 17.92 C ATOM 175 CE LYS A 11 -5.632 -11.928 -0.019 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.431 -13.379 0.007 1.00 21.93 N ATOM 0 H LYS A 11 -6.803 -9.978 6.429 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.770 -12.469 5.198 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.515 -11.498 3.732 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.610 -9.999 3.664 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.734 -11.158 2.671 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.604 -12.676 2.772 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.347 -11.738 1.233 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.395 -10.274 1.088 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.222 -11.673 -0.899 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.663 -11.443 -0.134 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -4.957 -13.680 -0.869 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -4.841 -13.633 0.825 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.352 -13.856 0.083 1.00 21.93 H new ATOM 190 N THR A 12 -3.451 -11.299 5.059 1.00 9.63 N ATOM 191 CA THR A 12 -2.181 -10.632 4.860 1.00 9.85 C ATOM 192 C THR A 12 -1.847 -10.867 3.427 1.00 11.66 C ATOM 193 O THR A 12 -1.469 -11.969 3.038 1.00 12.33 O ATOM 194 CB THR A 12 -1.105 -11.153 5.792 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.374 -10.988 7.220 1.00 10.91 O ATOM 196 CG2 THR A 12 0.244 -10.480 5.531 1.00 9.63 C ATOM 0 H THR A 12 -3.414 -12.317 4.999 1.00 9.63 H new ATOM 0 HA THR A 12 -2.244 -9.569 5.092 1.00 9.85 H new ATOM 0 HB THR A 12 -1.091 -12.219 5.565 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.930 -11.704 7.721 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.989 -10.880 6.219 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.555 -10.675 4.505 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.150 -9.405 5.683 1.00 9.63 H new ATOM 204 N ILE A 13 -1.934 -9.835 2.590 1.00 10.42 N ATOM 205 CA ILE A 13 -1.543 -9.934 1.185 1.00 11.84 C ATOM 206 C ILE A 13 -0.020 -9.922 1.094 1.00 10.55 C ATOM 207 O ILE A 13 0.623 -9.194 1.763 1.00 11.92 O ATOM 208 CB ILE A 13 -2.169 -8.771 0.480 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.696 -8.667 0.692 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.720 -8.804 -0.980 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.235 -7.373 0.076 1.00 16.46 C ATOM 0 H ILE A 13 -2.275 -8.913 2.864 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.882 -10.859 0.718 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.817 -7.839 0.923 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.191 -9.526 0.240 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.924 -8.692 1.758 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.164 -7.965 -1.516 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.633 -8.732 -1.028 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.042 -9.739 -1.439 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.312 -7.316 0.234 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.753 -6.517 0.548 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.025 -7.364 -0.993 1.00 16.46 H new ATOM 223 N THR A 14 0.573 -10.754 0.156 1.00 9.39 N ATOM 224 CA THR A 14 1.998 -10.697 -0.247 1.00 9.63 C ATOM 225 C THR A 14 2.038 -9.974 -1.527 1.00 11.20 C ATOM 226 O THR A 14 1.216 -10.296 -2.392 1.00 11.63 O ATOM 227 CB THR A 14 2.665 -12.077 -0.376 1.00 10.38 C ATOM 228 OG1 THR A 14 2.811 -12.741 0.858 1.00 16.30 O ATOM 229 CG2 THR A 14 4.057 -11.928 -0.979 1.00 11.66 C ATOM 0 H THR A 14 0.052 -11.482 -0.333 1.00 9.39 H new ATOM 0 HA THR A 14 2.569 -10.191 0.531 1.00 9.63 H new ATOM 0 HB THR A 14 2.007 -12.668 -1.013 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.238 -13.611 0.713 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.522 -12.910 -1.067 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.979 -11.474 -1.967 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.666 -11.294 -0.335 1.00 11.66 H new ATOM 237 N LEU A 15 2.950 -9.012 -1.723 1.00 8.29 N ATOM 238 CA LEU A 15 3.043 -8.413 -3.044 1.00 9.03 C ATOM 239 C LEU A 15 4.447 -8.578 -3.500 1.00 8.59 C ATOM 240 O LEU A 15 5.350 -8.924 -2.733 1.00 7.79 O ATOM 241 CB LEU A 15 2.578 -6.951 -3.024 1.00 11.08 C ATOM 242 CG LEU A 15 1.163 -6.786 -2.596 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.846 -5.328 -2.476 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.274 -7.360 -3.673 1.00 15.27 C ATOM 0 H LEU A 15 3.597 -8.653 -1.021 1.00 8.29 H new ATOM 0 HA LEU A 15 2.378 -8.907 -3.752 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.221 -6.382 -2.353 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.700 -6.525 -4.020 1.00 11.08 H new ATOM 0 HG LEU A 15 1.007 -7.287 -1.641 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.191 -5.206 -2.162 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.505 -4.872 -1.737 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.993 -4.843 -3.441 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.770 -7.250 -3.380 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.446 -6.828 -4.609 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.503 -8.417 -3.809 1.00 15.27 H new ATOM 256 N GLU A 16 4.663 -8.215 -4.816 1.00 11.04 N ATOM 257 CA GLU A 16 5.919 -8.109 -5.467 1.00 11.50 C ATOM 258 C GLU A 16 5.996 -6.692 -6.106 1.00 10.13 C ATOM 259 O GLU A 16 5.064 -6.266 -6.743 1.00 9.83 O ATOM 260 CB GLU A 16 6.000 -9.216 -6.612 1.00 17.22 C ATOM 261 CG GLU A 16 7.230 -9.058 -7.543 1.00 23.33 C ATOM 262 CD GLU A 16 8.524 -8.919 -6.765 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.745 -9.807 -5.869 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.279 -7.926 -6.961 1.00 28.86 O ATOM 0 H GLU A 16 3.888 -7.987 -5.439 1.00 11.04 H new ATOM 0 HA GLU A 16 6.741 -8.257 -4.766 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.029 -10.203 -6.150 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.092 -9.172 -7.213 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.297 -9.922 -8.204 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.093 -8.182 -8.177 1.00 23.33 H new ATOM 271 N VAL A 17 7.027 -5.885 -5.781 1.00 8.99 N ATOM 272 CA VAL A 17 7.084 -4.461 -6.063 1.00 8.85 C ATOM 273 C VAL A 17 8.544 -4.078 -6.292 1.00 8.04 C ATOM 274 O VAL A 17 9.476 -4.759 -5.843 1.00 8.99 O ATOM 275 CB VAL A 17 6.566 -3.539 -4.944 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.058 -3.777 -4.635 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.451 -3.735 -3.651 1.00 10.54 C ATOM 0 H VAL A 17 7.859 -6.229 -5.302 1.00 8.99 H new ATOM 0 HA VAL A 17 6.434 -4.315 -6.926 1.00 8.85 H new ATOM 0 HB VAL A 17 6.650 -2.507 -5.286 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.739 -3.104 -3.839 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.468 -3.585 -5.531 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.910 -4.809 -4.318 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.086 -3.083 -2.858 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.392 -4.773 -3.324 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.487 -3.485 -3.878 1.00 10.54 H new ATOM 287 N GLU A 18 8.811 -2.942 -7.007 1.00 7.29 N ATOM 288 CA GLU A 18 10.157 -2.304 -7.087 1.00 7.08 C ATOM 289 C GLU A 18 10.199 -1.085 -6.167 1.00 6.45 C ATOM 290 O GLU A 18 9.128 -0.569 -5.894 1.00 5.28 O ATOM 291 CB GLU A 18 10.490 -1.912 -8.525 1.00 10.28 C ATOM 292 CG GLU A 18 10.458 -3.048 -9.524 1.00 12.65 C ATOM 293 CD GLU A 18 11.485 -4.148 -9.164 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.675 -3.885 -8.974 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.101 -5.361 -9.209 1.00 14.33 O ATOM 0 H GLU A 18 8.098 -2.447 -7.542 1.00 7.29 H new ATOM 0 HA GLU A 18 10.909 -3.022 -6.760 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.786 -1.145 -8.848 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.483 -1.462 -8.542 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.457 -3.479 -9.555 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.670 -2.663 -10.521 1.00 12.65 H new ATOM 302 N PRO A 19 11.320 -0.522 -5.687 1.00 7.24 N ATOM 303 CA PRO A 19 11.265 0.588 -4.679 1.00 7.07 C ATOM 304 C PRO A 19 10.952 1.908 -5.436 1.00 6.65 C ATOM 305 O PRO A 19 10.553 2.879 -4.798 1.00 6.37 O ATOM 306 CB PRO A 19 12.627 0.481 -4.137 1.00 7.61 C ATOM 307 CG PRO A 19 13.596 0.034 -5.231 1.00 8.16 C ATOM 308 CD PRO A 19 12.658 -1.031 -5.904 1.00 7.49 C ATOM 0 HA PRO A 19 10.509 0.551 -3.895 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.942 1.443 -3.733 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.643 -0.232 -3.313 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.882 0.841 -5.906 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.518 -0.394 -4.838 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.875 -1.136 -6.967 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.787 -2.015 -5.453 1.00 7.49 H new ATOM 316 N SER A 20 11.067 1.947 -6.739 1.00 6.80 N ATOM 317 CA SER A 20 10.781 2.953 -7.706 1.00 6.28 C ATOM 318 C SER A 20 9.282 3.056 -7.986 1.00 8.45 C ATOM 319 O SER A 20 8.795 4.126 -8.326 1.00 7.26 O ATOM 320 CB SER A 20 11.483 2.632 -9.078 1.00 8.57 C ATOM 321 OG SER A 20 11.641 1.218 -9.235 1.00 11.13 O ATOM 0 H SER A 20 11.429 1.121 -7.215 1.00 6.80 H new ATOM 0 HA SER A 20 11.152 3.889 -7.289 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.890 3.032 -9.900 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.456 3.121 -9.120 1.00 8.57 H new ATOM 0 HG SER A 20 12.077 1.031 -10.092 1.00 11.13 H new ATOM 327 N ASP A 21 8.584 1.965 -7.708 1.00 7.50 N ATOM 328 CA ASP A 21 7.146 1.954 -7.689 1.00 7.70 C ATOM 329 C ASP A 21 6.459 2.861 -6.642 1.00 7.08 C ATOM 330 O ASP A 21 7.022 2.979 -5.549 1.00 8.11 O ATOM 331 CB ASP A 21 6.523 0.531 -7.502 1.00 11.00 C ATOM 332 CG ASP A 21 6.754 -0.350 -8.668 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.798 0.210 -9.821 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.715 -1.595 -8.494 1.00 18.03 O ATOM 0 H ASP A 21 9.009 1.064 -7.490 1.00 7.50 H new ATOM 0 HA ASP A 21 6.946 2.354 -8.683 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.947 0.067 -6.611 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.451 0.628 -7.331 1.00 11.00 H new ATOM 339 N THR A 22 5.371 3.543 -6.955 1.00 5.37 N ATOM 340 CA THR A 22 4.766 4.556 -6.086 1.00 6.01 C ATOM 341 C THR A 22 3.780 3.894 -5.199 1.00 8.01 C ATOM 342 O THR A 22 3.450 2.707 -5.350 1.00 8.11 O ATOM 343 CB THR A 22 4.147 5.707 -6.799 1.00 8.92 C ATOM 344 OG1 THR A 22 3.157 5.212 -7.666 1.00 10.22 O ATOM 345 CG2 THR A 22 5.084 6.578 -7.575 1.00 9.65 C ATOM 0 H THR A 22 4.869 3.411 -7.833 1.00 5.37 H new ATOM 0 HA THR A 22 5.578 4.999 -5.510 1.00 6.01 H new ATOM 0 HB THR A 22 3.745 6.353 -6.018 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.849 5.932 -8.256 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.523 7.382 -8.051 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.827 7.004 -6.901 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.585 5.983 -8.339 1.00 9.65 H new ATOM 353 N ILE A 23 3.215 4.648 -4.230 1.00 8.32 N ATOM 354 CA ILE A 23 2.081 4.094 -3.474 1.00 9.92 C ATOM 355 C ILE A 23 0.822 3.781 -4.386 1.00 10.01 C ATOM 356 O ILE A 23 0.126 2.753 -4.279 1.00 8.71 O ATOM 357 CB ILE A 23 1.680 4.914 -2.258 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.911 5.433 -1.439 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.695 4.192 -1.340 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.930 4.386 -0.941 1.00 12.30 C ATOM 0 H ILE A 23 3.507 5.589 -3.966 1.00 8.32 H new ATOM 0 HA ILE A 23 2.460 3.146 -3.092 1.00 9.92 H new ATOM 0 HB ILE A 23 1.164 5.781 -2.671 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.445 6.155 -2.057 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.533 5.974 -0.571 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.451 4.833 -0.493 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.215 3.960 -1.893 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.145 3.268 -0.978 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.727 4.887 -0.391 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.429 3.674 -0.286 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.355 3.857 -1.794 1.00 12.30 H new ATOM 372 N GLU A 24 0.654 4.604 -5.465 1.00 9.54 N ATOM 373 CA GLU A 24 -0.344 4.389 -6.474 1.00 11.81 C ATOM 374 C GLU A 24 -0.039 3.066 -7.272 1.00 11.14 C ATOM 375 O GLU A 24 -0.939 2.342 -7.655 1.00 10.62 O ATOM 376 CB GLU A 24 -0.364 5.658 -7.338 1.00 19.24 C ATOM 377 CG GLU A 24 -1.298 5.659 -8.553 1.00 27.76 C ATOM 378 CD GLU A 24 -1.183 6.893 -9.431 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.066 7.174 -9.960 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.211 7.627 -9.496 1.00 34.80 O ATOM 0 H GLU A 24 1.228 5.431 -5.629 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.339 4.234 -6.058 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.638 6.498 -6.700 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.651 5.843 -7.691 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.089 4.777 -9.158 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.327 5.570 -8.205 1.00 27.76 H new ATOM 387 N ASN A 25 1.253 2.745 -7.565 1.00 9.43 N ATOM 388 CA ASN A 25 1.541 1.474 -8.237 1.00 10.96 C ATOM 389 C ASN A 25 1.279 0.346 -7.259 1.00 9.68 C ATOM 390 O ASN A 25 0.846 -0.742 -7.662 1.00 9.33 O ATOM 391 CB ASN A 25 3.074 1.385 -8.606 1.00 16.78 C ATOM 392 CG ASN A 25 3.546 2.285 -9.775 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.473 3.108 -9.684 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.916 2.000 -10.938 1.00 24.70 N ATOM 0 H ASN A 25 2.065 3.325 -7.354 1.00 9.43 H new ATOM 0 HA ASN A 25 0.922 1.406 -9.132 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.656 1.640 -7.720 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.308 0.350 -8.854 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.197 2.470 -11.799 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.161 1.315 -10.954 1.00 24.70 H new ATOM 401 N VAL A 26 1.612 0.447 -5.959 1.00 6.52 N ATOM 402 CA VAL A 26 1.312 -0.574 -4.919 1.00 5.53 C ATOM 403 C VAL A 26 -0.169 -0.863 -4.927 1.00 4.42 C ATOM 404 O VAL A 26 -0.569 -2.068 -5.032 1.00 3.40 O ATOM 405 CB VAL A 26 1.634 -0.170 -3.475 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.361 -1.314 -2.501 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.144 0.031 -3.337 1.00 8.12 C ATOM 0 H VAL A 26 2.109 1.256 -5.587 1.00 6.52 H new ATOM 0 HA VAL A 26 1.947 -1.419 -5.184 1.00 5.53 H new ATOM 0 HB VAL A 26 1.034 0.714 -3.261 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.600 -0.993 -1.487 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.309 -1.594 -2.555 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.979 -2.172 -2.765 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.381 0.319 -2.313 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.659 -0.898 -3.581 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.470 0.816 -4.019 1.00 8.12 H new ATOM 417 N LYS A 27 -1.064 0.169 -4.891 1.00 2.64 N ATOM 418 CA LYS A 27 -2.517 0.096 -4.858 1.00 4.14 C ATOM 419 C LYS A 27 -3.074 -0.474 -6.140 1.00 5.58 C ATOM 420 O LYS A 27 -4.105 -1.154 -6.138 1.00 4.11 O ATOM 421 CB LYS A 27 -3.142 1.404 -4.416 1.00 3.97 C ATOM 422 CG LYS A 27 -2.776 1.789 -2.985 1.00 7.45 C ATOM 423 CD LYS A 27 -3.443 3.095 -2.527 1.00 9.02 C ATOM 424 CE LYS A 27 -3.291 4.296 -3.474 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.714 5.541 -2.830 1.00 15.47 N ATOM 0 H LYS A 27 -0.741 1.136 -4.884 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.806 -0.617 -4.086 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.825 2.198 -5.092 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.226 1.328 -4.500 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.067 0.983 -2.312 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.694 1.893 -2.908 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.506 2.905 -2.381 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.031 3.369 -1.556 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.251 4.383 -3.790 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.884 4.130 -4.373 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.810 6.288 -3.547 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.629 5.394 -2.358 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.003 5.827 -2.126 1.00 15.47 H new ATOM 439 N ALA A 28 -2.426 -0.307 -7.273 1.00 6.61 N ATOM 440 CA ALA A 28 -2.677 -0.979 -8.524 1.00 7.74 C ATOM 441 C ALA A 28 -2.480 -2.525 -8.437 1.00 9.17 C ATOM 442 O ALA A 28 -3.181 -3.237 -9.144 1.00 11.45 O ATOM 443 CB ALA A 28 -1.775 -0.481 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.652 0.353 -7.346 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.720 -0.743 -8.736 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.013 -1.025 -10.582 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.943 0.584 -9.826 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.730 -0.649 -9.407 1.00 7.68 H new ATOM 449 N LYS A 29 -1.447 -3.064 -7.722 1.00 8.96 N ATOM 450 CA LYS A 29 -1.134 -4.423 -7.463 1.00 7.90 C ATOM 451 C LYS A 29 -2.034 -5.099 -6.435 1.00 6.92 C ATOM 452 O LYS A 29 -2.396 -6.265 -6.617 1.00 6.87 O ATOM 453 CB LYS A 29 0.396 -4.525 -7.145 1.00 10.28 C ATOM 454 CG LYS A 29 1.373 -4.004 -8.220 1.00 14.94 C ATOM 455 CD LYS A 29 2.700 -3.645 -7.681 1.00 19.69 C ATOM 456 CE LYS A 29 3.569 -2.902 -8.667 1.00 22.63 C ATOM 457 NZ LYS A 29 4.124 -3.633 -9.808 1.00 24.98 N ATOM 0 H LYS A 29 -0.762 -2.450 -7.282 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.348 -5.004 -8.360 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.587 -3.979 -6.221 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.632 -5.571 -6.951 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.496 -4.766 -8.989 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.937 -3.130 -8.704 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.568 -3.031 -6.790 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.214 -4.554 -7.368 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.985 -2.070 -9.060 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.403 -2.472 -8.113 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.695 -2.987 -10.389 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.723 -4.411 -9.464 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.349 -4.021 -10.382 1.00 24.98 H new ATOM 471 N ILE A 30 -2.543 -4.337 -5.423 1.00 4.57 N ATOM 472 CA ILE A 30 -3.670 -4.710 -4.570 1.00 5.58 C ATOM 473 C ILE A 30 -5.027 -4.762 -5.323 1.00 7.26 C ATOM 474 O ILE A 30 -5.939 -5.595 -5.163 1.00 9.46 O ATOM 475 CB ILE A 30 -3.823 -3.723 -3.453 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.435 -3.805 -2.723 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.000 -4.222 -2.528 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.446 -3.274 -1.338 1.00 2.00 C ATOM 0 H ILE A 30 -2.156 -3.423 -5.186 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.437 -5.710 -4.203 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.061 -2.704 -3.756 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.110 -4.845 -2.699 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.697 -3.254 -3.306 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.136 -3.522 -1.703 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.920 -4.281 -3.110 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.758 -5.208 -2.131 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.450 -3.367 -0.905 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.738 -2.224 -1.353 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.158 -3.840 -0.737 1.00 2.00 H new ATOM 490 N GLN A 31 -5.290 -3.807 -6.272 1.00 7.06 N ATOM 491 CA GLN A 31 -6.384 -3.930 -7.202 1.00 8.67 C ATOM 492 C GLN A 31 -6.367 -5.185 -8.032 1.00 10.90 C ATOM 493 O GLN A 31 -7.373 -5.873 -8.072 1.00 9.63 O ATOM 494 CB GLN A 31 -6.434 -2.680 -8.126 1.00 9.12 C ATOM 495 CG GLN A 31 -7.803 -2.579 -8.885 1.00 10.76 C ATOM 496 CD GLN A 31 -7.824 -1.463 -9.974 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.375 -0.420 -9.783 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.088 -1.724 -11.071 1.00 14.76 N ATOM 0 H GLN A 31 -4.739 -2.956 -6.385 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.285 -3.997 -6.592 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.280 -1.780 -7.531 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.619 -2.728 -8.848 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.022 -3.538 -9.354 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.597 -2.388 -8.163 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.640 -2.634 -11.180 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.978 -1.012 -11.793 1.00 14.76 H new ATOM 507 N ASP A 32 -5.211 -5.480 -8.624 1.00 10.93 N ATOM 508 CA ASP A 32 -4.980 -6.762 -9.316 1.00 14.01 C ATOM 509 C ASP A 32 -5.259 -7.958 -8.360 1.00 14.04 C ATOM 510 O ASP A 32 -5.910 -8.922 -8.754 1.00 13.39 O ATOM 511 CB ASP A 32 -3.505 -6.814 -9.927 1.00 18.01 C ATOM 512 CG ASP A 32 -3.353 -5.848 -11.054 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.339 -5.288 -11.532 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.158 -5.592 -11.515 1.00 26.29 O ATOM 0 H ASP A 32 -4.410 -4.848 -8.642 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.678 -6.843 -10.149 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.778 -6.585 -9.148 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.289 -7.823 -10.278 1.00 18.01 H new ATOM 519 N LYS A 33 -4.713 -7.922 -7.123 1.00 14.22 N ATOM 520 CA LYS A 33 -4.927 -8.945 -6.155 1.00 14.00 C ATOM 521 C LYS A 33 -6.325 -9.215 -5.550 1.00 12.37 C ATOM 522 O LYS A 33 -6.815 -10.352 -5.534 1.00 12.17 O ATOM 523 CB LYS A 33 -3.964 -8.731 -4.944 1.00 18.62 C ATOM 524 CG LYS A 33 -3.802 -9.930 -3.948 1.00 24.00 C ATOM 525 CD LYS A 33 -3.372 -11.232 -4.540 1.00 27.61 C ATOM 526 CE LYS A 33 -1.948 -11.299 -5.092 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.720 -12.687 -5.594 1.00 30.06 N ATOM 0 H LYS A 33 -4.113 -7.165 -6.797 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.751 -9.820 -6.781 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.978 -8.479 -5.335 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.314 -7.866 -4.380 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.077 -9.645 -3.186 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.754 -10.083 -3.440 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.478 -12.004 -3.778 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.061 -11.483 -5.346 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.815 -10.575 -5.896 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.225 -11.050 -4.316 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.756 -12.764 -5.977 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.837 -13.363 -4.812 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.408 -12.903 -6.343 1.00 30.06 H new ATOM 541 N GLU A 34 -7.109 -8.166 -5.138 1.00 10.11 N ATOM 542 CA GLU A 34 -8.290 -8.480 -4.368 1.00 10.07 C ATOM 543 C GLU A 34 -9.498 -7.678 -4.936 1.00 9.32 C ATOM 544 O GLU A 34 -10.585 -7.749 -4.361 1.00 11.61 O ATOM 545 CB GLU A 34 -8.076 -7.889 -2.974 1.00 14.77 C ATOM 546 CG GLU A 34 -7.454 -8.855 -1.952 1.00 18.75 C ATOM 547 CD GLU A 34 -8.475 -10.031 -1.610 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.470 -9.763 -0.857 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.381 -11.131 -2.195 1.00 21.95 O ATOM 0 H GLU A 34 -6.938 -7.178 -5.324 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.465 -9.556 -4.381 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.434 -7.012 -3.061 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.036 -7.545 -2.590 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.529 -9.272 -2.351 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.193 -8.314 -1.042 1.00 18.75 H new ATOM 556 N GLY A 35 -9.326 -6.927 -5.997 1.00 7.22 N ATOM 557 CA GLY A 35 -10.353 -6.117 -6.659 1.00 6.29 C ATOM 558 C GLY A 35 -10.754 -4.873 -5.959 1.00 6.93 C ATOM 559 O GLY A 35 -11.798 -4.337 -6.263 1.00 7.41 O ATOM 0 H GLY A 35 -8.419 -6.852 -6.457 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.992 -5.851 -7.652 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.241 -6.734 -6.797 1.00 6.29 H new ATOM 563 N ILE A 36 -9.991 -4.344 -4.948 1.00 5.86 N ATOM 564 CA ILE A 36 -10.427 -3.236 -4.092 1.00 6.07 C ATOM 565 C ILE A 36 -10.146 -1.950 -4.780 1.00 6.36 C ATOM 566 O ILE A 36 -9.023 -1.798 -5.192 1.00 6.18 O ATOM 567 CB ILE A 36 -9.848 -3.195 -2.640 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.121 -4.528 -1.903 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.503 -2.037 -1.878 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.262 -4.737 -0.611 1.00 9.49 C ATOM 0 H ILE A 36 -9.058 -4.689 -4.720 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.494 -3.406 -3.945 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.769 -3.048 -2.690 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.177 -4.572 -1.635 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.932 -5.354 -2.589 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.107 -1.999 -0.863 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.287 -1.098 -2.388 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.582 -2.190 -1.841 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.516 -5.695 -0.156 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.204 -4.728 -0.872 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.468 -3.934 0.097 1.00 9.49 H new ATOM 582 N PRO A 37 -11.022 -0.977 -5.032 1.00 8.65 N ATOM 583 CA PRO A 37 -10.771 0.248 -5.753 1.00 9.18 C ATOM 584 C PRO A 37 -9.610 1.108 -5.227 1.00 9.85 C ATOM 585 O PRO A 37 -9.723 1.424 -4.059 1.00 8.51 O ATOM 586 CB PRO A 37 -12.076 1.025 -5.812 1.00 11.42 C ATOM 587 CG PRO A 37 -13.063 -0.138 -5.754 1.00 9.27 C ATOM 588 CD PRO A 37 -12.446 -1.036 -4.691 1.00 8.33 C ATOM 0 HA PRO A 37 -10.427 -0.027 -6.750 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.191 1.715 -4.976 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.173 1.612 -6.725 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.064 0.192 -5.476 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.150 -0.646 -6.715 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.640 -0.668 -3.683 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.835 -2.053 -4.740 1.00 8.33 H new ATOM 596 N PRO A 38 -8.577 1.620 -5.972 1.00 8.71 N ATOM 597 CA PRO A 38 -7.462 2.458 -5.473 1.00 9.08 C ATOM 598 C PRO A 38 -7.836 3.769 -4.841 1.00 9.28 C ATOM 599 O PRO A 38 -7.081 4.151 -3.906 1.00 6.50 O ATOM 600 CB PRO A 38 -6.477 2.579 -6.632 1.00 10.31 C ATOM 601 CG PRO A 38 -6.745 1.219 -7.365 1.00 10.81 C ATOM 602 CD PRO A 38 -8.234 1.137 -7.296 1.00 12.00 C ATOM 0 HA PRO A 38 -7.009 1.966 -4.612 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.684 3.441 -7.266 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.445 2.673 -6.293 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.381 1.227 -8.392 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.264 0.380 -6.863 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.699 1.747 -8.071 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.580 0.114 -7.445 1.00 12.00 H new ATOM 610 N ASP A 39 -8.916 4.508 -5.172 1.00 11.20 N ATOM 611 CA ASP A 39 -9.324 5.641 -4.432 1.00 14.96 C ATOM 612 C ASP A 39 -9.898 5.476 -3.042 1.00 13.99 C ATOM 613 O ASP A 39 -9.829 6.421 -2.257 1.00 13.75 O ATOM 614 CB ASP A 39 -10.393 6.430 -5.285 1.00 24.16 C ATOM 615 CG ASP A 39 -9.895 6.787 -6.682 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.073 7.724 -6.678 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.345 6.251 -7.689 1.00 34.22 O ATOM 0 H ASP A 39 -9.511 4.303 -5.975 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.376 6.148 -4.253 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.298 5.828 -5.371 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.667 7.344 -4.758 1.00 24.16 H new ATOM 622 N GLN A 40 -10.467 4.321 -2.749 1.00 11.60 N ATOM 623 CA GLN A 40 -10.788 3.882 -1.378 1.00 10.76 C ATOM 624 C GLN A 40 -9.546 3.553 -0.655 1.00 8.01 C ATOM 625 O GLN A 40 -9.318 3.983 0.484 1.00 8.96 O ATOM 626 CB GLN A 40 -11.821 2.674 -1.418 1.00 11.14 C ATOM 627 CG GLN A 40 -13.181 2.875 -2.099 1.00 14.85 C ATOM 628 CD GLN A 40 -14.043 1.604 -2.038 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.492 0.501 -1.862 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.397 1.761 -2.032 1.00 18.16 N ATOM 0 H GLN A 40 -10.729 3.640 -3.461 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.272 4.690 -0.830 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.328 1.837 -1.911 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.011 2.371 -0.389 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.711 3.697 -1.617 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.028 3.161 -3.140 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.804 2.684 -2.181 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.003 0.955 -1.879 1.00 18.16 H new ATOM 639 N GLN A 41 -8.664 2.713 -1.252 1.00 6.52 N ATOM 640 CA GLN A 41 -7.479 2.176 -0.568 1.00 3.87 C ATOM 641 C GLN A 41 -6.557 3.276 -0.026 1.00 4.79 C ATOM 642 O GLN A 41 -6.096 4.135 -0.751 1.00 6.34 O ATOM 643 CB GLN A 41 -6.575 1.271 -1.480 1.00 4.20 C ATOM 644 CG GLN A 41 -7.306 -0.045 -1.928 1.00 3.20 C ATOM 645 CD GLN A 41 -6.298 -0.869 -2.752 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.185 -1.019 -2.299 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.631 -1.280 -3.948 1.00 7.13 N ATOM 0 H GLN A 41 -8.760 2.395 -2.216 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.911 1.585 0.240 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.274 1.835 -2.363 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.664 1.012 -0.941 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.647 -0.610 -1.060 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.189 0.189 -2.523 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.580 -1.134 -4.292 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.942 -1.747 -4.537 1.00 7.13 H new ATOM 656 N ARG A 42 -6.229 3.165 1.260 1.00 5.73 N ATOM 657 CA ARG A 42 -5.184 3.975 1.846 1.00 6.97 C ATOM 658 C ARG A 42 -4.085 3.013 2.268 1.00 7.15 C ATOM 659 O ARG A 42 -4.381 1.788 2.288 1.00 7.33 O ATOM 660 CB ARG A 42 -5.697 4.730 3.120 1.00 13.23 C ATOM 661 CG ARG A 42 -6.275 6.070 2.666 1.00 21.27 C ATOM 662 CD ARG A 42 -6.274 7.134 3.763 1.00 26.14 C ATOM 663 NE ARG A 42 -7.027 8.317 3.305 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.715 9.104 4.196 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.239 8.712 5.351 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.056 10.311 3.753 1.00 36.39 N ATOM 0 H ARG A 42 -6.677 2.519 1.910 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.841 4.720 1.128 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.456 4.141 3.634 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.882 4.885 3.827 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.700 6.436 1.815 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.297 5.918 2.319 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.723 6.734 4.672 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.250 7.415 4.010 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.037 8.554 2.313 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.148 7.741 5.649 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.733 9.382 5.940 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.805 10.597 2.807 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.569 10.951 4.360 1.00 36.39 H new ATOM 680 N LEU A 43 -2.873 3.493 2.569 1.00 4.65 N ATOM 681 CA LEU A 43 -1.815 2.632 2.996 1.00 3.51 C ATOM 682 C LEU A 43 -1.072 3.357 4.150 1.00 5.56 C ATOM 683 O LEU A 43 -0.948 4.540 4.140 1.00 4.19 O ATOM 684 CB LEU A 43 -0.907 2.202 1.842 1.00 3.74 C ATOM 685 CG LEU A 43 -1.265 0.764 1.259 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.656 0.584 -0.145 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.980 -0.480 2.153 1.00 6.41 C ATOM 0 H LEU A 43 -2.621 4.480 2.518 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.213 1.687 3.367 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.976 2.938 1.041 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.128 2.200 2.185 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.354 0.780 1.220 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.911 -0.404 -0.528 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.054 1.346 -0.815 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.428 0.682 -0.087 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.275 -1.385 1.622 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.084 -0.526 2.384 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.549 -0.401 3.079 1.00 6.41 H new ATOM 699 N ILE A 44 -0.783 2.593 5.209 1.00 4.58 N ATOM 700 CA ILE A 44 -0.231 2.968 6.474 1.00 5.55 C ATOM 701 C ILE A 44 1.134 2.262 6.817 1.00 5.46 C ATOM 702 O ILE A 44 1.217 1.061 6.753 1.00 6.04 O ATOM 703 CB ILE A 44 -1.209 2.907 7.632 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.423 3.884 7.311 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.510 3.274 8.939 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.315 4.278 8.469 1.00 13.90 C ATOM 0 H ILE A 44 -0.958 1.589 5.175 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.001 4.025 6.338 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.593 1.894 7.756 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.017 4.795 6.871 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.045 3.412 6.550 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.225 3.226 9.760 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.304 2.574 9.125 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.109 4.285 8.866 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.100 4.945 8.113 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.766 3.385 8.901 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.722 4.789 9.228 1.00 13.90 H new ATOM 718 N PHE A 45 2.172 3.009 7.207 1.00 6.75 N ATOM 719 CA PHE A 45 3.369 2.367 7.747 1.00 4.70 C ATOM 720 C PHE A 45 4.052 3.398 8.637 1.00 6.34 C ATOM 721 O PHE A 45 4.042 4.567 8.285 1.00 5.45 O ATOM 722 CB PHE A 45 4.182 1.861 6.499 1.00 5.51 C ATOM 723 CG PHE A 45 5.599 1.525 6.806 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.884 0.330 7.551 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.671 2.393 6.543 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.155 0.046 8.031 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.949 2.122 7.029 1.00 6.64 C ATOM 728 CZ PHE A 45 8.204 0.910 7.677 1.00 6.84 C ATOM 0 H PHE A 45 2.208 4.027 7.161 1.00 6.75 H new ATOM 0 HA PHE A 45 3.209 1.496 8.382 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.689 0.980 6.088 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.159 2.629 5.726 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.084 -0.369 7.744 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.503 3.284 5.956 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.332 -0.815 8.659 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.740 2.847 6.905 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.222 0.634 7.909 1.00 6.84 H new ATOM 738 N ALA A 46 4.576 3.049 9.813 1.00 6.53 N ATOM 739 CA ALA A 46 5.283 3.903 10.829 1.00 7.15 C ATOM 740 C ALA A 46 4.352 5.037 11.359 1.00 9.00 C ATOM 741 O ALA A 46 4.804 6.114 11.728 1.00 11.15 O ATOM 742 CB ALA A 46 6.566 4.562 10.254 1.00 8.99 C ATOM 0 H ALA A 46 4.524 2.080 10.128 1.00 6.53 H new ATOM 0 HA ALA A 46 5.560 3.232 11.642 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.041 5.168 11.025 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.258 3.786 9.925 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.302 5.195 9.407 1.00 8.99 H new ATOM 748 N GLY A 47 3.043 4.790 11.267 1.00 9.35 N ATOM 749 CA GLY A 47 2.086 5.840 11.594 1.00 11.68 C ATOM 750 C GLY A 47 1.849 6.882 10.498 1.00 11.14 C ATOM 751 O GLY A 47 1.007 7.741 10.640 1.00 13.93 O ATOM 0 H GLY A 47 2.635 3.901 10.978 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.132 5.374 11.840 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.430 6.354 12.491 1.00 11.68 H new ATOM 755 N LYS A 48 2.541 6.815 9.344 1.00 10.47 N ATOM 756 CA LYS A 48 2.259 7.646 8.251 1.00 8.82 C ATOM 757 C LYS A 48 1.192 7.121 7.328 1.00 7.68 C ATOM 758 O LYS A 48 1.228 5.925 7.028 1.00 6.47 O ATOM 759 CB LYS A 48 3.440 7.800 7.322 1.00 9.74 C ATOM 760 CG LYS A 48 4.500 8.643 8.052 1.00 14.14 C ATOM 761 CD LYS A 48 5.755 8.885 7.170 1.00 16.32 C ATOM 762 CE LYS A 48 6.780 9.916 7.778 1.00 20.04 C ATOM 763 NZ LYS A 48 7.709 10.381 6.776 1.00 23.92 N ATOM 0 H LYS A 48 3.310 6.164 9.184 1.00 10.47 H new ATOM 0 HA LYS A 48 1.957 8.570 8.744 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.845 6.825 7.053 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.137 8.286 6.395 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.067 9.602 8.339 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.795 8.138 8.972 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.263 7.934 7.012 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.435 9.242 6.191 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.240 10.764 8.199 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.328 9.449 8.597 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.372 11.058 7.205 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.240 9.573 6.393 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.186 10.847 6.008 1.00 23.92 H new ATOM 777 N GLN A 49 0.274 8.023 6.830 1.00 8.89 N ATOM 778 CA GLN A 49 -0.622 7.637 5.733 1.00 7.18 C ATOM 779 C GLN A 49 0.113 7.988 4.420 1.00 8.23 C ATOM 780 O GLN A 49 0.492 9.116 4.171 1.00 9.70 O ATOM 781 CB GLN A 49 -1.986 8.264 5.790 1.00 11.67 C ATOM 782 CG GLN A 49 -2.902 7.906 6.981 1.00 15.82 C ATOM 783 CD GLN A 49 -4.279 8.571 6.758 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.336 7.944 6.611 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.254 9.949 6.880 1.00 20.67 N ATOM 0 H GLN A 49 0.155 8.977 7.170 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.831 6.570 5.809 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.856 9.346 5.783 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.513 8.000 4.873 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.012 6.825 7.062 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.461 8.253 7.916 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.365 10.434 7.000 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.125 10.480 6.850 1.00 20.67 H new ATOM 794 N LEU A 50 0.524 6.997 3.608 1.00 6.51 N ATOM 795 CA LEU A 50 1.442 7.107 2.519 1.00 7.41 C ATOM 796 C LEU A 50 0.725 7.664 1.260 1.00 8.27 C ATOM 797 O LEU A 50 -0.336 7.165 0.818 1.00 8.34 O ATOM 798 CB LEU A 50 2.110 5.716 2.237 1.00 7.13 C ATOM 799 CG LEU A 50 2.653 4.937 3.471 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.259 3.631 2.912 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.530 5.764 4.436 1.00 9.11 C ATOM 0 H LEU A 50 0.185 6.042 3.725 1.00 6.51 H new ATOM 0 HA LEU A 50 2.231 7.810 2.785 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.380 5.085 1.731 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.935 5.870 1.542 1.00 7.13 H new ATOM 0 HG LEU A 50 1.851 4.687 4.165 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.660 3.036 3.732 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.485 3.063 2.395 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.060 3.872 2.213 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.858 5.132 5.261 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.401 6.144 3.901 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.951 6.600 4.827 1.00 9.11 H new ATOM 813 N GLU A 51 1.343 8.653 0.584 1.00 9.43 N ATOM 814 CA GLU A 51 0.791 9.378 -0.567 1.00 11.90 C ATOM 815 C GLU A 51 0.936 8.610 -1.916 1.00 11.49 C ATOM 816 O GLU A 51 2.009 8.107 -2.242 1.00 9.88 O ATOM 817 CB GLU A 51 1.424 10.807 -0.630 1.00 16.56 C ATOM 818 CG GLU A 51 0.966 11.709 0.470 1.00 26.06 C ATOM 819 CD GLU A 51 1.574 13.080 0.452 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.228 13.497 -0.551 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.441 13.801 1.460 1.00 32.13 O ATOM 0 H GLU A 51 2.276 8.978 0.838 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.285 9.468 -0.417 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.509 10.717 -0.588 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.179 11.263 -1.589 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.118 11.807 0.413 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.194 11.238 1.426 1.00 26.06 H new ATOM 828 N ASP A 52 -0.096 8.694 -2.831 1.00 12.71 N ATOM 829 CA ASP A 52 -0.143 8.134 -4.141 1.00 16.56 C ATOM 830 C ASP A 52 1.151 8.337 -4.979 1.00 15.83 C ATOM 831 O ASP A 52 1.579 7.391 -5.637 1.00 17.21 O ATOM 832 CB ASP A 52 -1.311 8.826 -4.953 1.00 21.05 C ATOM 833 CG ASP A 52 -2.599 8.332 -4.383 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.002 7.241 -4.786 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.213 9.148 -3.580 1.00 25.82 O ATOM 0 H ASP A 52 -0.953 9.200 -2.609 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.284 7.063 -3.993 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.246 9.911 -4.872 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.240 8.581 -6.013 1.00 21.05 H new ATOM 840 N GLY A 53 1.642 9.590 -4.999 1.00 15.00 N ATOM 841 CA GLY A 53 2.673 9.998 -5.883 1.00 11.77 C ATOM 842 C GLY A 53 4.046 9.877 -5.294 1.00 11.10 C ATOM 843 O GLY A 53 5.084 10.139 -5.939 1.00 11.25 O ATOM 0 H GLY A 53 1.310 10.332 -4.383 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.621 9.397 -6.791 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.501 11.034 -6.176 1.00 11.77 H new ATOM 847 N ARG A 54 4.137 9.544 -4.031 1.00 8.53 N ATOM 848 CA ARG A 54 5.368 9.177 -3.336 1.00 9.05 C ATOM 849 C ARG A 54 5.674 7.749 -3.656 1.00 8.96 C ATOM 850 O ARG A 54 4.891 6.936 -4.093 1.00 11.60 O ATOM 851 CB ARG A 54 5.331 9.328 -1.805 1.00 7.97 C ATOM 852 CG ARG A 54 5.488 10.858 -1.320 1.00 9.62 C ATOM 853 CD ARG A 54 6.919 11.387 -1.518 1.00 12.20 C ATOM 854 NE ARG A 54 6.944 12.794 -1.108 1.00 18.23 N ATOM 855 CZ ARG A 54 8.032 13.545 -1.180 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.081 13.216 -1.905 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.133 14.682 -0.481 1.00 23.38 N ATOM 0 H ARG A 54 3.320 9.517 -3.420 1.00 8.53 H new ATOM 0 HA ARG A 54 6.130 9.874 -3.687 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.390 8.928 -1.428 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.130 8.730 -1.367 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.790 11.486 -1.874 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.217 10.933 -0.267 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.625 10.805 -0.926 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.220 11.289 -2.561 1.00 12.20 H new ATOM 0 HE ARG A 54 6.085 13.213 -0.751 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.078 12.349 -2.443 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.897 13.828 -1.929 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.364 14.982 0.119 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.979 15.249 -0.548 1.00 23.38 H new ATOM 871 N THR A 55 7.002 7.426 -3.518 1.00 9.05 N ATOM 872 CA THR A 55 7.613 6.088 -3.701 1.00 9.03 C ATOM 873 C THR A 55 7.871 5.298 -2.443 1.00 8.15 C ATOM 874 O THR A 55 7.932 5.897 -1.367 1.00 5.91 O ATOM 875 CB THR A 55 8.875 6.068 -4.607 1.00 11.15 C ATOM 876 OG1 THR A 55 10.044 6.633 -4.100 1.00 11.95 O ATOM 877 CG2 THR A 55 8.575 6.818 -5.931 1.00 11.71 C ATOM 0 H THR A 55 7.695 8.130 -3.265 1.00 9.05 H new ATOM 0 HA THR A 55 6.810 5.573 -4.228 1.00 9.03 H new ATOM 0 HB THR A 55 9.072 5.002 -4.717 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.760 6.555 -4.764 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.461 6.804 -6.566 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.750 6.328 -6.448 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.303 7.850 -5.711 1.00 11.71 H new ATOM 885 N LEU A 56 8.033 3.966 -2.538 1.00 6.91 N ATOM 886 CA LEU A 56 8.493 3.075 -1.492 1.00 8.29 C ATOM 887 C LEU A 56 9.965 3.375 -1.114 1.00 8.05 C ATOM 888 O LEU A 56 10.317 3.201 0.098 1.00 10.17 O ATOM 889 CB LEU A 56 8.342 1.613 -1.920 1.00 6.60 C ATOM 890 CG LEU A 56 6.889 1.108 -2.202 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.084 0.061 -3.382 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.327 0.520 -0.921 1.00 8.64 C ATOM 0 H LEU A 56 7.830 3.467 -3.404 1.00 6.91 H new ATOM 0 HA LEU A 56 7.873 3.245 -0.612 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.936 1.460 -2.821 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.775 0.985 -1.142 1.00 6.60 H new ATOM 0 HG LEU A 56 6.170 1.871 -2.500 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.117 -0.358 -3.660 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.524 0.562 -4.244 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.745 -0.740 -3.052 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.313 0.162 -1.099 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.953 -0.311 -0.597 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.311 1.286 -0.146 1.00 8.64 H new ATOM 904 N SER A 57 10.677 3.997 -2.021 1.00 8.92 N ATOM 905 CA SER A 57 11.955 4.607 -1.787 1.00 9.00 C ATOM 906 C SER A 57 11.975 5.748 -0.794 1.00 9.44 C ATOM 907 O SER A 57 12.765 5.897 0.117 1.00 10.91 O ATOM 908 CB SER A 57 12.750 5.046 -3.127 1.00 10.32 C ATOM 909 OG SER A 57 14.149 5.088 -2.850 1.00 13.59 O ATOM 0 H SER A 57 10.363 4.094 -2.987 1.00 8.92 H new ATOM 0 HA SER A 57 12.489 3.777 -1.325 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.548 4.340 -3.932 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.405 6.023 -3.466 1.00 10.32 H new ATOM 0 HG SER A 57 14.635 5.352 -3.659 1.00 13.59 H new ATOM 915 N ASP A 58 11.003 6.675 -0.924 1.00 9.11 N ATOM 916 CA ASP A 58 10.887 7.920 -0.142 1.00 7.91 C ATOM 917 C ASP A 58 10.698 7.671 1.336 1.00 9.12 C ATOM 918 O ASP A 58 11.047 8.494 2.214 1.00 8.61 O ATOM 919 CB ASP A 58 9.688 8.694 -0.760 1.00 8.41 C ATOM 920 CG ASP A 58 9.938 9.115 -2.188 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.101 9.338 -2.592 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.968 9.317 -2.961 1.00 11.70 O ATOM 0 H ASP A 58 10.249 6.571 -1.603 1.00 9.11 H new ATOM 0 HA ASP A 58 11.810 8.497 -0.199 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.798 8.067 -0.721 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.482 9.578 -0.156 1.00 8.41 H new ATOM 927 N TYR A 59 9.977 6.607 1.652 1.00 7.97 N ATOM 928 CA TYR A 59 9.622 6.176 3.012 1.00 8.45 C ATOM 929 C TYR A 59 10.611 5.118 3.489 1.00 10.98 C ATOM 930 O TYR A 59 10.493 4.566 4.571 1.00 12.95 O ATOM 931 CB TYR A 59 8.272 5.492 2.946 1.00 7.94 C ATOM 932 CG TYR A 59 7.183 6.504 2.703 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.860 7.531 3.527 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.426 6.259 1.559 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.899 8.451 3.168 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.443 7.157 1.167 1.00 6.52 C ATOM 937 CZ TYR A 59 5.218 8.250 1.959 1.00 6.76 C ATOM 938 OH TYR A 59 4.233 9.170 1.584 1.00 7.63 O ATOM 0 H TYR A 59 9.601 5.984 0.938 1.00 7.97 H new ATOM 0 HA TYR A 59 9.623 7.040 3.677 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.272 4.749 2.148 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.081 4.959 3.878 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.363 7.629 4.478 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.605 5.368 0.976 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.677 9.300 3.798 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.873 6.998 0.264 1.00 6.52 H new ATOM 0 HH TYR A 59 4.591 10.080 1.655 1.00 7.63 H new ATOM 948 N ASN A 60 11.592 4.804 2.690 1.00 12.38 N ATOM 949 CA ASN A 60 12.679 3.922 2.937 1.00 13.94 C ATOM 950 C ASN A 60 12.225 2.483 3.273 1.00 14.16 C ATOM 951 O ASN A 60 12.685 1.807 4.197 1.00 14.26 O ATOM 952 CB ASN A 60 13.636 4.566 3.941 1.00 19.23 C ATOM 953 CG ASN A 60 14.076 5.965 3.446 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.617 6.949 4.008 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.965 5.957 2.416 1.00 24.09 N ATOM 0 H ASN A 60 11.647 5.206 1.754 1.00 12.38 H new ATOM 0 HA ASN A 60 13.247 3.777 2.018 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.149 4.653 4.912 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.511 3.930 4.079 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.315 6.837 2.038 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.281 5.071 2.022 1.00 24.09 H new ATOM 962 N ILE A 61 11.241 2.024 2.465 1.00 11.08 N ATOM 963 CA ILE A 61 10.644 0.708 2.645 1.00 11.78 C ATOM 964 C ILE A 61 11.475 -0.215 1.791 1.00 13.74 C ATOM 965 O ILE A 61 11.878 0.089 0.647 1.00 14.60 O ATOM 966 CB ILE A 61 9.134 0.717 2.311 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.299 1.328 3.420 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.656 -0.696 1.985 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.905 1.749 2.948 1.00 11.42 C ATOM 0 H ILE A 61 10.853 2.556 1.686 1.00 11.08 H new ATOM 0 HA ILE A 61 10.661 0.368 3.681 1.00 11.78 H new ATOM 0 HB ILE A 61 8.999 1.349 1.433 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.201 0.609 4.233 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.819 2.197 3.824 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.591 -0.675 1.752 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.208 -1.078 1.126 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.827 -1.345 2.844 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.353 2.179 3.783 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.998 2.490 2.154 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.370 0.878 2.570 1.00 11.42 H new ATOM 981 N GLN A 62 11.919 -1.360 2.343 1.00 13.97 N ATOM 982 CA GLN A 62 12.810 -2.390 1.770 1.00 15.52 C ATOM 983 C GLN A 62 12.327 -3.788 2.188 1.00 13.94 C ATOM 984 O GLN A 62 11.415 -3.957 2.993 1.00 12.15 O ATOM 985 CB GLN A 62 14.196 -2.303 2.406 1.00 19.53 C ATOM 986 CG GLN A 62 14.845 -0.937 2.285 1.00 26.38 C ATOM 987 CD GLN A 62 16.348 -0.964 2.632 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.187 -1.349 1.807 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.743 -0.403 3.774 1.00 32.71 N ATOM 0 H GLN A 62 11.637 -1.612 3.290 1.00 13.97 H new ATOM 0 HA GLN A 62 12.820 -2.234 0.691 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.117 -2.565 3.461 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.845 -3.045 1.941 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.717 -0.566 1.268 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.335 -0.236 2.946 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.051 -0.086 4.453 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.738 -0.290 3.969 1.00 32.71 H new ATOM 998 N LYS A 63 12.845 -4.780 1.485 1.00 11.73 N ATOM 999 CA LYS A 63 12.336 -6.096 1.379 1.00 11.97 C ATOM 1000 C LYS A 63 11.765 -6.854 2.618 1.00 10.41 C ATOM 1001 O LYS A 63 12.289 -6.798 3.738 1.00 9.59 O ATOM 1002 CB LYS A 63 13.292 -6.961 0.580 1.00 13.73 C ATOM 1003 CG LYS A 63 14.641 -7.276 1.285 1.00 16.98 C ATOM 1004 CD LYS A 63 15.721 -8.065 0.457 1.00 20.19 C ATOM 1005 CE LYS A 63 16.994 -8.315 1.233 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.011 -9.125 0.482 1.00 25.97 N ATOM 0 H LYS A 63 13.698 -4.655 0.939 1.00 11.73 H new ATOM 0 HA LYS A 63 11.395 -5.906 0.863 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.795 -7.902 0.343 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.502 -6.464 -0.367 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.084 -6.332 1.604 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.424 -7.847 2.188 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.302 -9.020 0.140 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.958 -7.505 -0.448 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.436 -7.357 1.507 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.747 -8.829 2.162 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.856 -9.257 1.074 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.608 -10.053 0.243 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.275 -8.627 -0.392 1.00 25.97 H new ATOM 1020 N GLU A 64 10.559 -7.482 2.440 1.00 10.04 N ATOM 1021 CA GLU A 64 9.860 -8.154 3.510 1.00 10.94 C ATOM 1022 C GLU A 64 9.480 -7.239 4.686 1.00 9.74 C ATOM 1023 O GLU A 64 9.668 -7.538 5.846 1.00 9.42 O ATOM 1024 CB GLU A 64 10.732 -9.342 4.018 1.00 18.31 C ATOM 1025 CG GLU A 64 10.793 -10.366 2.885 1.00 24.16 C ATOM 1026 CD GLU A 64 11.853 -11.464 3.171 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.594 -12.351 4.034 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.958 -11.518 2.534 1.00 31.72 O ATOM 0 H GLU A 64 10.073 -7.518 1.544 1.00 10.04 H new ATOM 0 HA GLU A 64 8.916 -8.508 3.095 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.732 -9.000 4.284 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.297 -9.784 4.915 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.814 -10.828 2.757 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.033 -9.862 1.949 1.00 24.16 H new ATOM 1035 N SER A 65 8.827 -6.114 4.381 1.00 6.85 N ATOM 1036 CA SER A 65 8.256 -5.142 5.342 1.00 6.90 C ATOM 1037 C SER A 65 6.708 -5.155 5.300 1.00 4.72 C ATOM 1038 O SER A 65 6.113 -5.323 4.251 1.00 3.91 O ATOM 1039 CB SER A 65 8.905 -3.803 5.193 1.00 7.28 C ATOM 1040 OG SER A 65 8.343 -2.742 5.932 1.00 10.56 O ATOM 0 H SER A 65 8.670 -5.835 3.413 1.00 6.85 H new ATOM 0 HA SER A 65 8.493 -5.446 6.362 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.953 -3.899 5.478 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.885 -3.531 4.138 1.00 7.28 H new ATOM 0 HG SER A 65 8.847 -1.920 5.759 1.00 10.56 H new ATOM 1046 N THR A 66 6.097 -5.081 6.526 1.00 4.48 N ATOM 1047 CA THR A 66 4.633 -5.008 6.646 1.00 3.80 C ATOM 1048 C THR A 66 4.037 -3.634 6.593 1.00 4.60 C ATOM 1049 O THR A 66 4.254 -2.792 7.480 1.00 5.33 O ATOM 1050 CB THR A 66 4.140 -5.775 7.907 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.915 -6.970 8.046 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.672 -6.136 7.709 1.00 3.40 C ATOM 0 H THR A 66 6.597 -5.071 7.415 1.00 4.48 H new ATOM 0 HA THR A 66 4.267 -5.496 5.743 1.00 3.80 H new ATOM 0 HB THR A 66 4.251 -5.161 8.801 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.616 -7.463 8.838 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.309 -6.675 8.584 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.088 -5.225 7.575 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.568 -6.766 6.826 1.00 3.40 H new ATOM 1060 N LEU A 67 3.074 -3.470 5.602 1.00 4.17 N ATOM 1061 CA LEU A 67 2.340 -2.243 5.513 1.00 3.85 C ATOM 1062 C LEU A 67 0.887 -2.527 5.981 1.00 3.80 C ATOM 1063 O LEU A 67 0.488 -3.684 6.062 1.00 5.54 O ATOM 1064 CB LEU A 67 2.115 -1.875 4.024 1.00 7.18 C ATOM 1065 CG LEU A 67 3.425 -1.680 3.227 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.893 -1.451 1.764 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.372 -0.576 3.753 1.00 11.66 C ATOM 0 H LEU A 67 2.832 -4.173 4.903 1.00 4.17 H new ATOM 0 HA LEU A 67 2.879 -1.483 6.079 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.525 -2.660 3.550 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.528 -0.958 3.970 1.00 7.18 H new ATOM 0 HG LEU A 67 4.094 -2.536 3.314 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.736 -1.298 1.090 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.325 -2.324 1.442 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.249 -0.572 1.745 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.258 -0.525 3.121 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.857 0.385 3.734 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.669 -0.808 4.776 1.00 11.66 H new ATOM 1079 N HIS A 68 0.073 -1.521 6.279 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.248 -1.713 6.798 1.00 4.17 C ATOM 1081 C HIS A 68 -2.240 -1.084 5.883 1.00 5.32 C ATOM 1082 O HIS A 68 -2.065 0.122 5.633 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.262 -1.131 8.243 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.292 -1.830 9.175 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.955 -1.320 9.413 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.271 -3.061 9.762 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.644 -2.198 10.151 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.897 -3.228 10.462 1.00 16.30 N ATOM 0 H HIS A 68 0.329 -0.541 6.160 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.528 -2.765 6.854 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.017 -0.070 8.203 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.270 -1.211 8.651 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.058 -3.796 9.687 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.675 -2.074 10.449 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.134 -3.994 11.093 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.176 -1.843 5.329 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.188 -1.374 4.449 1.00 3.97 C ATOM 1098 C LEU A 69 -5.438 -0.989 5.219 1.00 5.07 C ATOM 1099 O LEU A 69 -5.922 -1.784 6.009 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.514 -2.459 3.350 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.354 -1.953 2.188 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.860 -2.517 0.876 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.899 -2.140 2.400 1.00 9.96 C ATOM 0 H LEU A 69 -3.236 -2.846 5.502 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.817 -0.481 3.946 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.576 -2.853 2.958 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.036 -3.291 3.823 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.217 -0.872 2.147 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.478 -2.139 0.062 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.825 -2.214 0.716 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.920 -3.605 0.902 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.434 -1.757 1.531 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.123 -3.199 2.526 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.213 -1.594 3.290 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.932 0.223 4.986 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.106 0.785 5.650 1.00 6.26 C ATOM 1117 C VAL A 70 -7.861 1.400 4.474 1.00 9.22 C ATOM 1118 O VAL A 70 -7.272 1.758 3.494 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.748 1.866 6.741 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.831 1.229 7.784 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.173 3.119 6.066 1.00 8.54 C ATOM 0 H VAL A 70 -5.514 0.862 4.309 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.672 0.042 6.212 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.636 2.206 7.274 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.576 1.967 8.544 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.342 0.388 8.252 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.920 0.877 7.301 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.928 3.861 6.826 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.271 2.854 5.514 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.911 3.533 5.379 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.193 1.672 4.548 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.864 2.504 3.569 1.00 16.06 C ATOM 1133 C LEU A 71 -10.104 3.893 4.071 1.00 18.09 C ATOM 1134 O LEU A 71 -10.279 4.179 5.249 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.111 1.770 3.113 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.952 0.273 2.717 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.329 -0.295 2.475 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.091 0.124 1.483 1.00 19.57 C ATOM 0 H LEU A 71 -9.804 1.317 5.284 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.227 2.663 2.698 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.850 1.831 3.912 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.523 2.304 2.257 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.456 -0.269 3.522 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.245 -1.345 2.195 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.924 -0.208 3.384 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.814 0.257 1.670 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.997 -0.932 1.230 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.552 0.657 0.651 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.102 0.540 1.677 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.017 4.817 3.135 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.270 6.235 3.428 1.00 25.83 C ATOM 1152 C ARG A 72 -11.546 6.605 4.163 1.00 27.74 C ATOM 1153 O ARG A 72 -12.614 6.348 3.617 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.273 6.920 2.072 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.444 8.423 2.068 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.706 9.156 0.939 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.111 10.613 1.194 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.631 11.652 0.550 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.899 11.501 -0.557 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.678 12.891 1.050 1.00 35.02 N ATOM 0 H ARG A 72 -9.774 4.623 2.163 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.496 6.547 4.130 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.335 6.683 1.570 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.074 6.485 1.473 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.507 8.653 1.996 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.097 8.816 3.024 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.627 9.015 0.997 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.020 8.811 -0.046 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.806 10.789 1.919 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.704 10.566 -0.916 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.535 12.320 -1.043 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.098 13.056 1.965 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.293 13.671 0.517 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.470 7.102 5.419 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.604 7.421 6.275 1.00 30.76 C ATOM 1176 C LEU A 73 -13.293 8.708 5.859 1.00 32.18 C ATOM 1177 O LEU A 73 -12.668 9.602 5.284 1.00 32.31 O ATOM 1178 CB LEU A 73 -12.170 7.705 7.740 1.00 30.53 C ATOM 1179 CG LEU A 73 -11.470 6.532 8.394 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -10.919 6.954 9.730 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.340 5.272 8.557 1.00 29.11 C ATOM 0 H LEU A 73 -10.575 7.294 5.869 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.253 6.549 6.188 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -11.506 8.569 7.754 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.049 7.969 8.328 1.00 30.53 H new ATOM 0 HG LEU A 73 -10.668 6.245 7.713 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -10.416 6.109 10.199 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -10.208 7.768 9.590 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -11.734 7.291 10.370 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -11.755 4.485 9.034 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -13.207 5.506 9.176 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.675 4.932 7.577 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.580 8.919 6.142 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.312 10.149 5.853 1.00 35.33 C ATOM 1195 C ARG A 74 -14.809 11.455 6.494 1.00 36.22 C ATOM 1196 O ARG A 74 -14.740 12.480 5.793 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.775 9.925 6.219 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.457 8.808 5.406 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.728 9.366 4.016 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.193 8.258 3.087 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.012 8.228 1.749 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.836 9.366 1.079 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.213 7.059 1.162 1.00 41.93 N ATOM 0 H ARG A 74 -15.159 8.212 6.595 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.148 10.324 4.790 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.841 9.681 7.279 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.323 10.855 6.071 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.817 7.928 5.349 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.386 8.497 5.884 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.487 10.147 4.071 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.824 9.828 3.619 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.684 7.470 3.509 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.838 10.256 1.577 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.699 9.347 0.068 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.488 6.249 1.718 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.093 6.968 0.153 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.499 11.475 7.775 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.111 12.638 8.534 1.00 36.07 C ATOM 1219 C GLY A 75 -12.655 13.037 8.387 1.00 36.16 C ATOM 1220 O GLY A 75 -12.195 14.055 8.844 1.00 36.26 O ATOM 0 H GLY A 75 -14.513 10.628 8.343 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.736 13.478 8.230 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.318 12.452 9.588 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.834 12.235 7.698 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.406 12.560 7.430 1.00 36.19 C ATOM 1226 C GLY A 76 -9.739 11.484 6.594 1.00 36.20 C ATOM 1227 O GLY A 76 -9.335 10.403 7.172 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.732 11.604 5.317 1.00 0.00 O ATOM 0 H GLY A 76 -12.129 11.341 7.306 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.340 13.517 6.913 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.873 12.671 8.375 1.00 36.19 H new TER 1232 GLY A 76