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 Set 1.1: A 22 THR OG1 : rot -51:sc= 1.22 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.02 K(o=2.2,f=-3.6!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -120:sc= -0.159 (180deg=-0.653) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.2 (180deg=0.926) USER MOD Single : A 2 GLN : amide:sc= 1.04 K(o=1,f=-0.028) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.1 (180deg=0.247!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.02 X(o=-1,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc=-0.00721 (180deg=-0.265) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.0633 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 133:sc= 1.15 (180deg=0.68) USER MOD Single : A 65 SER OG : rot 65:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00934 X(o=-0.0093,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.215 -6.650 -4.700 1.00 9.67 N ATOM 2 CA MET A 1 12.043 -6.937 -3.252 1.00 10.38 C ATOM 3 C MET A 1 10.548 -7.197 -2.911 1.00 9.62 C ATOM 4 O MET A 1 9.628 -6.986 -3.688 1.00 9.62 O ATOM 5 CB MET A 1 12.543 -5.716 -2.395 1.00 13.77 C ATOM 6 CG MET A 1 11.812 -4.366 -2.836 1.00 16.29 C ATOM 7 SD MET A 1 12.294 -2.973 -1.793 1.00 17.17 S ATOM 8 CE MET A 1 11.168 -3.474 -0.494 1.00 16.11 C ATOM 0 H1 MET A 1 13.058 -6.057 -4.839 1.00 9.67 H new ATOM 0 H2 MET A 1 12.331 -7.543 -5.220 1.00 9.67 H new ATOM 0 H3 MET A 1 11.377 -6.148 -5.056 1.00 9.67 H new ATOM 0 HA MET A 1 12.628 -7.826 -3.019 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.354 -5.907 -1.339 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.621 -5.604 -2.510 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.055 -4.144 -3.875 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.732 -4.503 -2.783 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.446 -2.678 -0.312 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.642 -4.379 -0.797 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.730 -3.670 0.419 1.00 16.11 H new ATOM 20 N GLN A 2 10.370 -7.872 -1.720 1.00 9.27 N ATOM 21 CA GLN A 2 9.024 -8.380 -1.237 1.00 9.07 C ATOM 22 C GLN A 2 8.572 -7.616 0.014 1.00 8.72 C ATOM 23 O GLN A 2 9.331 -7.295 0.958 1.00 8.22 O ATOM 24 CB GLN A 2 9.111 -9.948 -1.014 1.00 14.46 C ATOM 25 CG GLN A 2 7.833 -10.665 -0.641 1.00 17.01 C ATOM 26 CD GLN A 2 7.690 -10.768 0.860 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.409 -11.479 1.499 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.666 -10.165 1.462 1.00 19.49 N ATOM 0 H GLN A 2 11.136 -8.077 -1.079 1.00 9.27 H new ATOM 0 HA GLN A 2 8.259 -8.196 -1.991 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.496 -10.398 -1.929 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.846 -10.138 -0.231 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.978 -10.132 -1.056 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.830 -11.663 -1.080 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.046 -9.556 0.927 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.502 -10.312 2.458 1.00 19.49 H new ATOM 37 N ILE A 3 7.326 -7.220 0.029 1.00 5.87 N ATOM 38 CA ILE A 3 6.669 -6.452 1.113 1.00 5.07 C ATOM 39 C ILE A 3 5.350 -7.042 1.411 1.00 4.01 C ATOM 40 O ILE A 3 4.965 -7.953 0.654 1.00 4.61 O ATOM 41 CB ILE A 3 6.506 -4.956 0.706 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.863 -4.856 -0.702 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.872 -4.224 0.889 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.385 -3.421 -0.994 1.00 10.83 C ATOM 0 H ILE A 3 6.690 -7.423 -0.742 1.00 5.87 H new ATOM 0 HA ILE A 3 7.295 -6.499 2.004 1.00 5.07 H new ATOM 0 HB ILE A 3 5.809 -4.431 1.359 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.586 -5.162 -1.458 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.020 -5.544 -0.770 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.764 -3.177 0.606 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.182 -4.288 1.932 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.625 -4.695 0.257 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.939 -3.381 -1.988 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.644 -3.126 -0.251 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.234 -2.739 -0.950 1.00 10.83 H new ATOM 56 N PHE A 4 4.631 -6.756 2.500 1.00 4.55 N ATOM 57 CA PHE A 4 3.400 -7.389 2.874 1.00 4.68 C ATOM 58 C PHE A 4 2.335 -6.307 2.920 1.00 5.30 C ATOM 59 O PHE A 4 2.569 -5.186 3.295 1.00 5.58 O ATOM 60 CB PHE A 4 3.502 -8.021 4.289 1.00 4.83 C ATOM 61 CG PHE A 4 4.476 -9.136 4.314 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.069 -10.465 3.952 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.744 -8.928 4.901 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.981 -11.491 4.117 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.604 -10.025 5.135 1.00 10.61 C ATOM 66 CZ PHE A 4 6.261 -11.319 4.687 1.00 8.90 C ATOM 0 H PHE A 4 4.921 -6.039 3.165 1.00 4.55 H new ATOM 0 HA PHE A 4 3.165 -8.176 2.157 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.801 -7.259 5.009 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.522 -8.385 4.598 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.080 -10.657 3.563 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.056 -7.930 5.171 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.698 -12.481 3.791 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.534 -9.872 5.662 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.951 -12.145 4.777 1.00 8.90 H new ATOM 76 N VAL A 5 1.088 -6.691 2.561 1.00 4.44 N ATOM 77 CA VAL A 5 -0.056 -5.792 2.883 1.00 3.87 C ATOM 78 C VAL A 5 -1.146 -6.507 3.684 1.00 4.93 C ATOM 79 O VAL A 5 -1.731 -7.497 3.254 1.00 6.84 O ATOM 80 CB VAL A 5 -0.723 -5.182 1.623 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.961 -4.392 2.018 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.304 -4.267 0.950 1.00 9.13 C ATOM 0 H VAL A 5 0.851 -7.558 2.079 1.00 4.44 H new ATOM 0 HA VAL A 5 0.386 -4.993 3.479 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.035 -5.968 0.935 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.422 -3.968 1.126 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.672 -5.053 2.514 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.678 -3.588 2.697 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.135 -3.821 0.058 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.598 -3.478 1.643 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.182 -4.849 0.670 1.00 9.13 H new ATOM 92 N LYS A 6 -1.464 -5.998 4.912 1.00 6.04 N ATOM 93 CA LYS A 6 -2.331 -6.612 5.885 1.00 6.12 C ATOM 94 C LYS A 6 -3.646 -5.873 5.867 1.00 6.57 C ATOM 95 O LYS A 6 -3.716 -4.684 6.009 1.00 5.76 O ATOM 96 CB LYS A 6 -1.591 -6.445 7.237 1.00 7.45 C ATOM 97 CG LYS A 6 -2.312 -6.895 8.462 1.00 11.12 C ATOM 98 CD LYS A 6 -1.388 -7.058 9.601 1.00 14.54 C ATOM 99 CE LYS A 6 -1.828 -8.070 10.630 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.834 -8.313 11.653 1.00 20.55 N ATOM 0 H LYS A 6 -1.089 -5.106 5.235 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.544 -7.664 5.695 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.650 -6.991 7.178 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.341 -5.391 7.359 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.084 -6.170 8.719 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.816 -7.840 8.263 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.410 -7.350 9.219 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.263 -6.092 10.091 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.747 -7.723 11.101 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.062 -9.010 10.129 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.196 -9.016 12.328 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.037 -8.672 11.212 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.628 -7.426 12.154 1.00 20.55 H new ATOM 114 N THR A 7 -4.701 -6.668 5.729 1.00 7.41 N ATOM 115 CA THR A 7 -6.083 -6.222 5.628 1.00 7.48 C ATOM 116 C THR A 7 -6.860 -6.176 6.939 1.00 8.75 C ATOM 117 O THR A 7 -6.491 -6.842 7.898 1.00 8.58 O ATOM 118 CB THR A 7 -6.897 -6.914 4.573 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.495 -8.177 4.962 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.084 -7.057 3.282 1.00 9.17 C ATOM 0 H THR A 7 -4.611 -7.683 5.683 1.00 7.41 H new ATOM 0 HA THR A 7 -5.940 -5.189 5.310 1.00 7.48 H new ATOM 0 HB THR A 7 -7.754 -6.261 4.407 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.003 -8.544 4.209 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.687 -7.560 2.526 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.799 -6.069 2.920 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.187 -7.643 3.480 1.00 9.17 H new ATOM 128 N LEU A 8 -7.912 -5.379 7.043 1.00 9.84 N ATOM 129 CA LEU A 8 -8.719 -5.222 8.294 1.00 14.15 C ATOM 130 C LEU A 8 -9.365 -6.507 8.687 1.00 17.37 C ATOM 131 O LEU A 8 -9.614 -6.814 9.889 1.00 17.01 O ATOM 132 CB LEU A 8 -9.720 -4.090 8.163 1.00 16.63 C ATOM 133 CG LEU A 8 -9.127 -2.685 8.106 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.190 -1.633 7.656 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.424 -2.209 9.351 1.00 18.59 C ATOM 0 H LEU A 8 -8.252 -4.808 6.269 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.039 -4.952 9.102 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.309 -4.253 7.260 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.409 -4.140 9.006 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.341 -2.775 7.356 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.733 -0.644 7.627 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.560 -1.891 6.664 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.020 -1.629 8.363 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.045 -1.200 9.191 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.125 -2.206 10.186 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.593 -2.877 9.578 1.00 18.59 H new ATOM 147 N THR A 9 -9.666 -7.359 7.696 1.00 18.33 N ATOM 148 CA THR A 9 -10.284 -8.626 7.939 1.00 19.24 C ATOM 149 C THR A 9 -9.338 -9.778 8.020 1.00 19.48 C ATOM 150 O THR A 9 -9.675 -10.944 7.835 1.00 23.14 O ATOM 151 CB THR A 9 -11.327 -8.981 6.881 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.898 -8.904 5.536 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.419 -7.939 6.992 1.00 19.70 C ATOM 0 H THR A 9 -9.479 -7.169 6.711 1.00 18.33 H new ATOM 0 HA THR A 9 -10.747 -8.483 8.916 1.00 19.24 H new ATOM 0 HB THR A 9 -11.608 -10.016 7.078 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.637 -9.151 4.942 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.195 -8.145 6.255 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.851 -7.970 7.992 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.998 -6.950 6.809 1.00 19.70 H new ATOM 161 N GLY A 10 -8.132 -9.477 8.260 1.00 19.43 N ATOM 162 CA GLY A 10 -7.051 -10.287 8.728 1.00 18.74 C ATOM 163 C GLY A 10 -6.200 -11.085 7.761 1.00 17.62 C ATOM 164 O GLY A 10 -5.193 -11.717 8.065 1.00 19.74 O ATOM 0 H GLY A 10 -7.817 -8.518 8.116 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.378 -9.632 9.281 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.469 -10.994 9.445 1.00 18.74 H new ATOM 168 N LYS A 11 -6.555 -11.036 6.438 1.00 13.56 N ATOM 169 CA LYS A 11 -5.767 -11.561 5.378 1.00 11.91 C ATOM 170 C LYS A 11 -4.425 -10.780 5.132 1.00 10.18 C ATOM 171 O LYS A 11 -4.491 -9.558 5.309 1.00 9.10 O ATOM 172 CB LYS A 11 -6.644 -11.452 4.114 1.00 13.43 C ATOM 173 CG LYS A 11 -6.099 -12.192 2.851 1.00 16.69 C ATOM 174 CD LYS A 11 -7.081 -12.041 1.565 1.00 17.92 C ATOM 175 CE LYS A 11 -6.576 -12.779 0.393 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.697 -12.842 -0.512 1.00 21.93 N ATOM 0 H LYS A 11 -7.425 -10.611 6.118 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.474 -12.580 5.629 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.634 -11.845 4.345 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.769 -10.397 3.870 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.115 -11.797 2.600 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.969 -13.249 3.082 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.075 -12.407 1.823 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.186 -10.986 1.311 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.728 -12.267 -0.062 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.235 -13.776 0.670 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.446 -13.425 -1.336 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.513 -13.264 -0.025 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.942 -11.882 -0.829 1.00 21.93 H new ATOM 190 N THR A 12 -3.289 -11.402 4.826 1.00 9.63 N ATOM 191 CA THR A 12 -2.022 -10.680 4.545 1.00 9.85 C ATOM 192 C THR A 12 -1.623 -11.148 3.150 1.00 11.66 C ATOM 193 O THR A 12 -1.531 -12.338 2.892 1.00 12.33 O ATOM 194 CB THR A 12 -0.913 -11.083 5.528 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.254 -11.033 6.950 1.00 10.91 O ATOM 196 CG2 THR A 12 0.279 -10.062 5.310 1.00 9.63 C ATOM 0 H THR A 12 -3.207 -12.417 4.763 1.00 9.63 H new ATOM 0 HA THR A 12 -2.156 -9.602 4.633 1.00 9.85 H new ATOM 0 HB THR A 12 -0.688 -12.127 5.312 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.479 -11.310 7.482 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.096 -10.307 5.989 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.630 -10.127 4.280 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.069 -9.049 5.511 1.00 9.63 H new ATOM 204 N ILE A 13 -1.500 -10.181 2.194 1.00 10.42 N ATOM 205 CA ILE A 13 -1.261 -10.480 0.834 1.00 11.84 C ATOM 206 C ILE A 13 0.258 -10.159 0.620 1.00 10.55 C ATOM 207 O ILE A 13 0.815 -9.196 1.237 1.00 11.92 O ATOM 208 CB ILE A 13 -2.144 -9.728 -0.195 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.078 -8.146 -0.055 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.563 -10.313 -0.066 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.861 -7.414 -1.193 1.00 16.46 C ATOM 0 H ILE A 13 -1.571 -9.183 2.392 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.527 -11.520 0.647 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.769 -9.886 -1.206 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.488 -7.852 0.911 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.036 -7.826 -0.070 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.227 -9.815 -0.772 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.537 -11.381 -0.283 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.930 -10.157 0.949 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.785 -6.336 -1.052 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.435 -7.684 -2.159 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.909 -7.711 -1.162 1.00 16.46 H new ATOM 223 N THR A 14 1.010 -10.974 -0.155 1.00 9.39 N ATOM 224 CA THR A 14 2.390 -10.866 -0.580 1.00 9.63 C ATOM 225 C THR A 14 2.497 -10.013 -1.822 1.00 11.20 C ATOM 226 O THR A 14 1.923 -10.289 -2.863 1.00 11.63 O ATOM 227 CB THR A 14 3.060 -12.212 -0.827 1.00 10.38 C ATOM 228 OG1 THR A 14 2.849 -13.122 0.237 1.00 16.30 O ATOM 229 CG2 THR A 14 4.591 -12.015 -0.886 1.00 11.66 C ATOM 0 H THR A 14 0.593 -11.824 -0.535 1.00 9.39 H new ATOM 0 HA THR A 14 2.920 -10.395 0.248 1.00 9.63 H new ATOM 0 HB THR A 14 2.635 -12.601 -1.752 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.295 -13.971 0.035 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.075 -12.976 -1.063 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.839 -11.329 -1.696 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.941 -11.601 0.059 1.00 11.66 H new ATOM 237 N LEU A 15 3.297 -8.909 -1.787 1.00 8.29 N ATOM 238 CA LEU A 15 3.612 -8.090 -2.959 1.00 9.03 C ATOM 239 C LEU A 15 5.080 -7.985 -3.255 1.00 8.59 C ATOM 240 O LEU A 15 5.941 -8.032 -2.397 1.00 7.79 O ATOM 241 CB LEU A 15 3.141 -6.560 -2.882 1.00 11.08 C ATOM 242 CG LEU A 15 1.663 -6.255 -3.289 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.572 -6.908 -2.457 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.341 -4.707 -3.336 1.00 15.27 C ATOM 0 H LEU A 15 3.737 -8.573 -0.930 1.00 8.29 H new ATOM 0 HA LEU A 15 3.061 -8.637 -3.724 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.291 -6.210 -1.861 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.798 -5.970 -3.521 1.00 11.08 H new ATOM 0 HG LEU A 15 1.632 -6.706 -4.281 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.404 -6.615 -2.843 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.673 -7.992 -2.510 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.663 -6.586 -1.420 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.300 -4.560 -3.625 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.510 -4.270 -2.352 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.991 -4.222 -4.064 1.00 15.27 H new ATOM 256 N GLU A 16 5.412 -7.951 -4.570 1.00 11.04 N ATOM 257 CA GLU A 16 6.800 -7.876 -5.053 1.00 11.50 C ATOM 258 C GLU A 16 6.970 -6.639 -5.970 1.00 10.13 C ATOM 259 O GLU A 16 6.170 -6.368 -6.872 1.00 9.83 O ATOM 260 CB GLU A 16 7.285 -9.132 -5.785 1.00 17.22 C ATOM 261 CG GLU A 16 8.725 -9.537 -5.609 1.00 23.33 C ATOM 262 CD GLU A 16 8.993 -10.771 -6.448 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.375 -10.691 -7.647 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.824 -11.917 -5.898 1.00 28.86 O ATOM 0 H GLU A 16 4.720 -7.975 -5.319 1.00 11.04 H new ATOM 0 HA GLU A 16 7.422 -7.789 -4.162 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.661 -9.967 -5.466 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.106 -8.989 -6.851 1.00 17.22 H new ATOM 0 HG2 GLU A 16 9.385 -8.724 -5.912 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.933 -9.742 -4.559 1.00 23.33 H new ATOM 271 N VAL A 17 7.957 -5.742 -5.663 1.00 8.99 N ATOM 272 CA VAL A 17 8.095 -4.408 -6.159 1.00 8.85 C ATOM 273 C VAL A 17 9.596 -4.102 -6.199 1.00 8.04 C ATOM 274 O VAL A 17 10.429 -4.944 -5.769 1.00 8.99 O ATOM 275 CB VAL A 17 7.408 -3.304 -5.345 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.905 -3.249 -5.613 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.766 -3.540 -3.880 1.00 10.54 C ATOM 0 H VAL A 17 8.708 -5.985 -5.017 1.00 8.99 H new ATOM 0 HA VAL A 17 7.599 -4.393 -7.129 1.00 8.85 H new ATOM 0 HB VAL A 17 7.763 -2.318 -5.644 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.458 -2.454 -5.017 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.731 -3.051 -6.671 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.452 -4.203 -5.343 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.296 -2.774 -3.263 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.410 -4.523 -3.572 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.848 -3.491 -3.757 1.00 10.54 H new ATOM 287 N GLU A 18 9.944 -2.909 -6.787 1.00 7.29 N ATOM 288 CA GLU A 18 11.272 -2.264 -6.693 1.00 7.08 C ATOM 289 C GLU A 18 11.207 -1.119 -5.685 1.00 6.45 C ATOM 290 O GLU A 18 10.109 -0.659 -5.393 1.00 5.28 O ATOM 291 CB GLU A 18 11.792 -1.696 -8.071 1.00 10.28 C ATOM 292 CG GLU A 18 11.958 -2.757 -9.124 1.00 12.65 C ATOM 293 CD GLU A 18 12.856 -3.863 -8.689 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.828 -3.645 -7.956 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.602 -5.006 -9.130 1.00 14.33 O ATOM 0 H GLU A 18 9.284 -2.370 -7.348 1.00 7.29 H new ATOM 0 HA GLU A 18 11.973 -3.037 -6.376 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.094 -0.941 -8.432 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.748 -1.197 -7.913 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.981 -3.167 -9.378 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.359 -2.304 -10.030 1.00 12.65 H new ATOM 302 N PRO A 19 12.286 -0.656 -5.087 1.00 7.24 N ATOM 303 CA PRO A 19 12.255 0.434 -4.156 1.00 7.07 C ATOM 304 C PRO A 19 11.935 1.766 -4.888 1.00 6.65 C ATOM 305 O PRO A 19 11.603 2.778 -4.263 1.00 6.37 O ATOM 306 CB PRO A 19 13.585 0.462 -3.465 1.00 7.61 C ATOM 307 CG PRO A 19 14.535 -0.134 -4.487 1.00 8.16 C ATOM 308 CD PRO A 19 13.667 -1.106 -5.347 1.00 7.49 C ATOM 0 HA PRO A 19 11.466 0.304 -3.415 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.874 1.477 -3.194 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.570 -0.121 -2.544 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.984 0.643 -5.106 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.353 -0.665 -4.000 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.918 -1.039 -6.405 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.813 -2.144 -5.050 1.00 7.49 H new ATOM 316 N SER A 20 12.213 1.932 -6.187 1.00 6.80 N ATOM 317 CA SER A 20 11.878 3.050 -7.066 1.00 6.28 C ATOM 318 C SER A 20 10.397 2.973 -7.547 1.00 8.45 C ATOM 319 O SER A 20 9.847 3.929 -8.108 1.00 7.26 O ATOM 320 CB SER A 20 12.744 2.960 -8.370 1.00 8.57 C ATOM 321 OG SER A 20 12.563 1.681 -8.943 1.00 11.13 O ATOM 0 H SER A 20 12.729 1.214 -6.695 1.00 6.80 H new ATOM 0 HA SER A 20 12.055 3.965 -6.501 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.448 3.736 -9.076 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.796 3.125 -8.138 1.00 8.57 H new ATOM 0 HG SER A 20 13.098 1.610 -9.761 1.00 11.13 H new ATOM 327 N ASP A 21 9.723 1.827 -7.345 1.00 7.50 N ATOM 328 CA ASP A 21 8.294 1.694 -7.685 1.00 7.70 C ATOM 329 C ASP A 21 7.435 2.665 -6.846 1.00 7.08 C ATOM 330 O ASP A 21 7.861 3.176 -5.817 1.00 8.11 O ATOM 331 CB ASP A 21 7.726 0.217 -7.586 1.00 11.00 C ATOM 332 CG ASP A 21 8.390 -0.615 -8.669 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.834 -0.105 -9.732 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.260 -1.879 -8.582 1.00 14.36 O ATOM 0 H ASP A 21 10.141 0.984 -6.951 1.00 7.50 H new ATOM 0 HA ASP A 21 8.225 1.962 -8.739 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.931 -0.205 -6.602 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.644 0.216 -7.714 1.00 11.00 H new ATOM 339 N THR A 22 6.223 3.048 -7.247 1.00 5.37 N ATOM 340 CA THR A 22 5.478 4.159 -6.691 1.00 6.01 C ATOM 341 C THR A 22 4.333 3.632 -5.893 1.00 8.01 C ATOM 342 O THR A 22 3.858 2.551 -6.088 1.00 8.11 O ATOM 343 CB THR A 22 4.880 5.164 -7.697 1.00 8.92 C ATOM 344 OG1 THR A 22 3.793 4.730 -8.482 1.00 10.22 O ATOM 345 CG2 THR A 22 5.994 5.594 -8.709 1.00 9.65 C ATOM 0 H THR A 22 5.722 2.570 -7.996 1.00 5.37 H new ATOM 0 HA THR A 22 6.222 4.703 -6.109 1.00 6.01 H new ATOM 0 HB THR A 22 4.499 5.959 -7.056 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.020 3.880 -8.914 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.581 6.305 -9.425 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.817 6.061 -8.168 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.361 4.716 -9.240 1.00 9.65 H new ATOM 353 N ILE A 23 3.785 4.442 -4.932 1.00 8.32 N ATOM 354 CA ILE A 23 2.735 4.012 -4.061 1.00 9.92 C ATOM 355 C ILE A 23 1.405 3.789 -4.801 1.00 10.01 C ATOM 356 O ILE A 23 0.641 2.845 -4.540 1.00 8.71 O ATOM 357 CB ILE A 23 2.501 5.010 -3.030 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.749 5.452 -2.275 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.444 4.370 -1.980 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.742 4.403 -1.742 1.00 12.30 C ATOM 0 H ILE A 23 4.086 5.403 -4.771 1.00 8.32 H new ATOM 0 HA ILE A 23 3.063 3.065 -3.633 1.00 9.92 H new ATOM 0 HB ILE A 23 2.129 5.908 -3.523 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.306 6.119 -2.933 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.418 6.047 -1.423 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.239 5.088 -1.186 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.516 4.129 -2.499 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.865 3.462 -1.548 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.565 4.906 -1.234 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.232 3.743 -1.041 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.133 3.817 -2.574 1.00 12.30 H new ATOM 372 N GLU A 24 1.277 4.541 -5.878 1.00 9.54 N ATOM 373 CA GLU A 24 0.251 4.295 -6.868 1.00 11.81 C ATOM 374 C GLU A 24 0.318 2.904 -7.491 1.00 11.14 C ATOM 375 O GLU A 24 -0.731 2.248 -7.633 1.00 10.62 O ATOM 376 CB GLU A 24 0.340 5.256 -8.051 1.00 19.24 C ATOM 377 CG GLU A 24 -0.951 5.410 -8.867 1.00 27.76 C ATOM 378 CD GLU A 24 -0.914 6.496 -9.891 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.988 7.691 -9.498 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.883 6.236 -11.118 1.00 34.80 O ATOM 0 H GLU A 24 1.880 5.336 -6.089 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.671 4.423 -6.301 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.635 6.237 -7.680 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.133 4.915 -8.717 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.164 4.465 -9.366 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.777 5.602 -8.182 1.00 27.76 H new ATOM 387 N ASN A 25 1.529 2.416 -7.848 1.00 9.43 N ATOM 388 CA ASN A 25 1.688 1.087 -8.305 1.00 10.96 C ATOM 389 C ASN A 25 1.390 -0.014 -7.265 1.00 9.68 C ATOM 390 O ASN A 25 0.816 -1.060 -7.614 1.00 9.33 O ATOM 391 CB ASN A 25 3.120 0.725 -8.756 1.00 16.78 C ATOM 392 CG ASN A 25 3.504 1.593 -9.981 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.419 2.450 -9.911 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.712 1.409 -11.077 1.00 24.70 N ATOM 0 H ASN A 25 2.393 2.957 -7.815 1.00 9.43 H new ATOM 0 HA ASN A 25 0.967 1.096 -9.122 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.824 0.893 -7.941 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.177 -0.333 -9.013 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.847 1.987 -11.906 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.986 0.693 -11.067 1.00 24.70 H new ATOM 401 N VAL A 26 1.659 0.308 -5.982 1.00 6.52 N ATOM 402 CA VAL A 26 1.305 -0.491 -4.848 1.00 5.53 C ATOM 403 C VAL A 26 -0.166 -0.643 -4.677 1.00 4.42 C ATOM 404 O VAL A 26 -0.627 -1.761 -4.539 1.00 3.40 O ATOM 405 CB VAL A 26 1.998 -0.043 -3.564 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.561 -0.818 -2.344 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.502 -0.214 -3.804 1.00 8.12 C ATOM 0 H VAL A 26 2.146 1.167 -5.726 1.00 6.52 H new ATOM 0 HA VAL A 26 1.687 -1.488 -5.066 1.00 5.53 H new ATOM 0 HB VAL A 26 1.730 0.992 -3.350 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.093 -0.448 -1.468 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.488 -0.692 -2.198 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.786 -1.875 -2.485 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.050 0.093 -2.913 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.719 -1.260 -4.021 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.808 0.403 -4.649 1.00 8.12 H new ATOM 417 N LYS A 27 -0.997 0.412 -4.873 1.00 2.64 N ATOM 418 CA LYS A 27 -2.452 0.374 -4.886 1.00 4.14 C ATOM 419 C LYS A 27 -3.044 -0.453 -6.031 1.00 5.58 C ATOM 420 O LYS A 27 -4.084 -1.099 -5.920 1.00 4.11 O ATOM 421 CB LYS A 27 -3.030 1.824 -4.856 1.00 3.97 C ATOM 422 CG LYS A 27 -2.640 2.589 -3.563 1.00 7.45 C ATOM 423 CD LYS A 27 -3.362 3.975 -3.582 1.00 9.02 C ATOM 424 CE LYS A 27 -3.193 4.673 -2.248 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.880 5.964 -2.291 1.00 15.47 N ATOM 0 H LYS A 27 -0.636 1.352 -5.033 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.758 -0.149 -3.980 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.668 2.375 -5.724 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.116 1.781 -4.936 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.933 2.019 -2.681 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.560 2.723 -3.512 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.953 4.595 -4.379 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.422 3.838 -3.797 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.601 4.057 -1.447 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.135 4.818 -2.031 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.435 6.617 -1.614 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.813 6.361 -3.250 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.881 5.833 -2.040 1.00 15.47 H new ATOM 439 N ALA A 28 -2.410 -0.486 -7.225 1.00 6.61 N ATOM 440 CA ALA A 28 -2.764 -1.202 -8.416 1.00 7.74 C ATOM 441 C ALA A 28 -2.670 -2.806 -8.238 1.00 9.17 C ATOM 442 O ALA A 28 -3.551 -3.592 -8.527 1.00 11.45 O ATOM 443 CB ALA A 28 -1.894 -0.870 -9.633 1.00 7.68 C ATOM 0 H ALA A 28 -1.554 0.051 -7.365 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.790 -0.877 -8.588 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.229 -1.454 -10.490 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.979 0.192 -9.862 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.854 -1.111 -9.413 1.00 7.68 H new ATOM 449 N LYS A 29 -1.562 -3.284 -7.656 1.00 8.96 N ATOM 450 CA LYS A 29 -1.384 -4.643 -7.301 1.00 7.90 C ATOM 451 C LYS A 29 -2.457 -5.119 -6.296 1.00 6.92 C ATOM 452 O LYS A 29 -3.092 -6.138 -6.403 1.00 6.87 O ATOM 453 CB LYS A 29 0.000 -4.721 -6.621 1.00 10.28 C ATOM 454 CG LYS A 29 1.078 -4.570 -7.691 1.00 14.94 C ATOM 455 CD LYS A 29 2.537 -4.697 -7.207 1.00 19.69 C ATOM 456 CE LYS A 29 3.607 -4.834 -8.301 1.00 22.63 C ATOM 457 NZ LYS A 29 3.497 -6.084 -9.180 1.00 24.98 N ATOM 0 H LYS A 29 -0.761 -2.697 -7.425 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.464 -5.276 -8.185 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.098 -3.935 -5.872 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.113 -5.673 -6.102 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.905 -5.322 -8.461 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.957 -3.596 -8.165 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.775 -3.821 -6.603 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.606 -5.565 -6.551 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.559 -3.955 -8.943 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.589 -4.830 -7.827 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.262 -6.082 -9.884 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.575 -6.934 -8.586 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.578 -6.086 -9.668 1.00 24.98 H new ATOM 471 N ILE A 30 -2.755 -4.295 -5.280 1.00 4.57 N ATOM 472 CA ILE A 30 -3.885 -4.469 -4.327 1.00 5.58 C ATOM 473 C ILE A 30 -5.304 -4.508 -4.947 1.00 7.26 C ATOM 474 O ILE A 30 -6.185 -5.255 -4.490 1.00 9.46 O ATOM 475 CB ILE A 30 -3.798 -3.402 -3.247 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.526 -3.497 -2.300 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.096 -3.458 -2.351 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.395 -2.217 -1.431 1.00 2.00 C ATOM 0 H ILE A 30 -2.204 -3.459 -5.084 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.759 -5.469 -3.911 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.704 -2.458 -3.784 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.609 -4.373 -1.657 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.627 -3.628 -2.902 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.036 -2.694 -1.576 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.974 -3.278 -2.971 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.175 -4.441 -1.886 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.518 -2.301 -0.789 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.289 -1.347 -2.079 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.286 -2.103 -0.814 1.00 2.00 H new ATOM 490 N GLN A 31 -5.540 -3.619 -5.899 1.00 7.06 N ATOM 491 CA GLN A 31 -6.772 -3.620 -6.737 1.00 8.67 C ATOM 492 C GLN A 31 -6.842 -4.956 -7.523 1.00 10.90 C ATOM 493 O GLN A 31 -7.882 -5.575 -7.632 1.00 9.63 O ATOM 494 CB GLN A 31 -6.702 -2.385 -7.752 1.00 9.12 C ATOM 495 CG GLN A 31 -8.104 -2.196 -8.448 1.00 10.76 C ATOM 496 CD GLN A 31 -8.234 -1.037 -9.440 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.292 -0.666 -10.150 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.464 -0.595 -9.684 1.00 14.76 N ATOM 0 H GLN A 31 -4.892 -2.865 -6.128 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.661 -3.525 -6.114 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.424 -1.477 -7.217 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.932 -2.561 -8.503 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.350 -3.120 -8.971 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.854 -2.061 -7.669 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.241 -0.901 -9.099 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.630 0.050 -10.457 1.00 14.76 H new ATOM 507 N ASP A 32 -5.736 -5.466 -8.096 1.00 10.93 N ATOM 508 CA ASP A 32 -5.806 -6.713 -8.794 1.00 14.01 C ATOM 509 C ASP A 32 -6.066 -7.937 -7.862 1.00 14.04 C ATOM 510 O ASP A 32 -6.905 -8.761 -8.209 1.00 13.39 O ATOM 511 CB ASP A 32 -4.403 -6.900 -9.492 1.00 18.01 C ATOM 512 CG ASP A 32 -4.511 -7.942 -10.501 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.357 -7.762 -11.464 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.658 -8.861 -10.526 1.00 25.17 O ATOM 0 H ASP A 32 -4.815 -5.028 -8.078 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.643 -6.679 -9.492 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.083 -5.964 -9.950 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.648 -7.168 -8.753 1.00 18.01 H new ATOM 519 N LYS A 33 -5.362 -8.068 -6.719 1.00 14.22 N ATOM 520 CA LYS A 33 -5.414 -9.102 -5.700 1.00 14.00 C ATOM 521 C LYS A 33 -6.707 -9.020 -4.864 1.00 12.37 C ATOM 522 O LYS A 33 -7.188 -10.112 -4.608 1.00 12.17 O ATOM 523 CB LYS A 33 -4.172 -9.039 -4.794 1.00 18.62 C ATOM 524 CG LYS A 33 -2.888 -9.264 -5.551 1.00 24.00 C ATOM 525 CD LYS A 33 -1.711 -8.819 -4.600 1.00 27.61 C ATOM 526 CE LYS A 33 -0.340 -8.977 -5.272 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.122 -10.394 -5.564 1.00 30.06 N ATOM 0 H LYS A 33 -4.667 -7.363 -6.473 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.419 -10.064 -6.213 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.134 -8.066 -4.303 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.262 -9.789 -4.008 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.783 -10.312 -5.830 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.878 -8.685 -6.475 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.854 -7.779 -4.308 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.738 -9.413 -3.687 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.299 -8.391 -6.190 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.447 -8.600 -4.619 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.880 -10.551 -5.796 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.378 -10.963 -4.732 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.713 -10.677 -6.372 1.00 30.06 H new ATOM 541 N GLU A 34 -7.211 -7.829 -4.395 1.00 10.11 N ATOM 542 CA GLU A 34 -8.308 -7.692 -3.498 1.00 10.07 C ATOM 543 C GLU A 34 -9.474 -6.897 -3.998 1.00 9.32 C ATOM 544 O GLU A 34 -10.479 -6.832 -3.333 1.00 11.61 O ATOM 545 CB GLU A 34 -7.819 -7.004 -2.150 1.00 14.77 C ATOM 546 CG GLU A 34 -7.054 -8.037 -1.259 1.00 18.75 C ATOM 547 CD GLU A 34 -7.945 -9.162 -0.773 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.882 -8.997 0.051 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.678 -10.294 -1.293 1.00 25.19 O ATOM 0 H GLU A 34 -6.816 -6.930 -4.670 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.661 -8.714 -3.361 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.169 -6.160 -2.380 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.675 -6.607 -1.605 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.224 -8.456 -1.827 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.625 -7.522 -0.400 1.00 18.75 H new ATOM 556 N GLY A 35 -9.436 -6.368 -5.240 1.00 7.22 N ATOM 557 CA GLY A 35 -10.495 -5.561 -5.824 1.00 6.29 C ATOM 558 C GLY A 35 -10.772 -4.093 -5.448 1.00 6.93 C ATOM 559 O GLY A 35 -11.656 -3.437 -5.998 1.00 7.41 O ATOM 0 H GLY A 35 -8.643 -6.501 -5.868 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.326 -5.572 -6.901 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.424 -6.101 -5.642 1.00 6.29 H new ATOM 563 N ILE A 36 -10.091 -3.540 -4.436 1.00 5.86 N ATOM 564 CA ILE A 36 -10.403 -2.191 -4.016 1.00 6.07 C ATOM 565 C ILE A 36 -9.829 -1.123 -4.958 1.00 6.36 C ATOM 566 O ILE A 36 -8.650 -1.219 -5.257 1.00 6.18 O ATOM 567 CB ILE A 36 -9.856 -1.956 -2.643 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.422 -2.996 -1.622 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.987 -0.487 -2.155 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.536 -3.095 -0.367 1.00 9.49 C ATOM 0 H ILE A 36 -9.344 -3.999 -3.914 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.489 -2.100 -4.032 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.780 -2.119 -2.709 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.433 -2.710 -1.333 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.491 -3.974 -2.098 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.568 -0.398 -1.153 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.446 0.172 -2.834 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.039 -0.203 -2.135 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.960 -3.827 0.321 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.532 -3.406 -0.654 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.489 -2.122 0.123 1.00 9.49 H new ATOM 582 N PRO A 37 -10.553 -0.071 -5.424 1.00 8.65 N ATOM 583 CA PRO A 37 -9.994 0.907 -6.408 1.00 9.18 C ATOM 584 C PRO A 37 -8.991 1.764 -5.729 1.00 9.85 C ATOM 585 O PRO A 37 -9.210 1.991 -4.552 1.00 8.51 O ATOM 586 CB PRO A 37 -11.226 1.750 -6.820 1.00 11.42 C ATOM 587 CG PRO A 37 -12.391 0.846 -6.558 1.00 9.27 C ATOM 588 CD PRO A 37 -12.051 0.042 -5.341 1.00 8.33 C ATOM 0 HA PRO A 37 -9.500 0.438 -7.259 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.294 2.668 -6.236 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.176 2.042 -7.869 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.301 1.425 -6.397 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.575 0.195 -7.413 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.369 0.540 -4.425 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.532 -0.936 -5.355 1.00 8.33 H new ATOM 596 N PRO A 38 -7.940 2.285 -6.343 1.00 8.71 N ATOM 597 CA PRO A 38 -7.009 3.103 -5.610 1.00 9.08 C ATOM 598 C PRO A 38 -7.495 4.327 -4.816 1.00 9.28 C ATOM 599 O PRO A 38 -6.929 4.558 -3.747 1.00 6.50 O ATOM 600 CB PRO A 38 -5.935 3.549 -6.659 1.00 10.31 C ATOM 601 CG PRO A 38 -5.929 2.361 -7.672 1.00 10.81 C ATOM 602 CD PRO A 38 -7.425 1.938 -7.694 1.00 12.00 C ATOM 0 HA PRO A 38 -6.667 2.470 -4.791 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.205 4.489 -7.140 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.957 3.695 -6.200 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.579 2.668 -8.657 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.281 1.549 -7.342 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.974 2.466 -8.474 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.531 0.872 -7.896 1.00 12.00 H new ATOM 610 N ASP A 39 -8.569 5.020 -5.234 1.00 11.20 N ATOM 611 CA ASP A 39 -9.176 6.118 -4.550 1.00 14.96 C ATOM 612 C ASP A 39 -9.909 5.682 -3.308 1.00 13.99 C ATOM 613 O ASP A 39 -10.354 6.506 -2.506 1.00 13.75 O ATOM 614 CB ASP A 39 -10.122 6.920 -5.444 1.00 24.16 C ATOM 615 CG ASP A 39 -9.509 7.358 -6.789 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.575 8.192 -6.697 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.005 6.982 -7.891 1.00 34.22 O ATOM 0 H ASP A 39 -9.044 4.797 -6.109 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.349 6.766 -4.259 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.011 6.321 -5.642 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.450 7.807 -4.902 1.00 24.16 H new ATOM 622 N GLN A 40 -10.022 4.380 -3.076 1.00 11.60 N ATOM 623 CA GLN A 40 -10.625 3.859 -1.889 1.00 10.76 C ATOM 624 C GLN A 40 -9.570 3.190 -1.060 1.00 8.01 C ATOM 625 O GLN A 40 -9.920 2.510 -0.097 1.00 8.96 O ATOM 626 CB GLN A 40 -11.756 2.882 -2.267 1.00 11.14 C ATOM 627 CG GLN A 40 -12.909 3.440 -3.184 1.00 14.85 C ATOM 628 CD GLN A 40 -14.157 2.581 -3.429 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.519 1.675 -2.645 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.888 2.872 -4.542 1.00 18.16 N ATOM 0 H GLN A 40 -9.690 3.663 -3.721 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.066 4.664 -1.301 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.309 2.025 -2.770 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.206 2.512 -1.346 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.241 4.385 -2.754 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.473 3.668 -4.156 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.583 3.613 -5.173 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.740 2.349 -4.743 1.00 18.16 H new ATOM 639 N GLN A 41 -8.274 3.461 -1.225 1.00 6.52 N ATOM 640 CA GLN A 41 -7.195 2.915 -0.425 1.00 3.87 C ATOM 641 C GLN A 41 -6.323 3.905 0.318 1.00 4.79 C ATOM 642 O GLN A 41 -5.816 4.886 -0.196 1.00 6.34 O ATOM 643 CB GLN A 41 -6.263 2.024 -1.290 1.00 4.20 C ATOM 644 CG GLN A 41 -6.925 0.846 -1.987 1.00 3.20 C ATOM 645 CD GLN A 41 -5.832 0.122 -2.869 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.712 -0.020 -2.448 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.229 -0.322 -4.085 1.00 7.13 N ATOM 0 H GLN A 41 -7.942 4.094 -1.952 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.729 2.351 0.339 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.794 2.652 -2.047 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.465 1.642 -0.653 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.342 0.155 -1.254 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.752 1.187 -2.610 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.190 -0.175 -4.393 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.567 -0.803 -4.693 1.00 7.13 H new ATOM 656 N ARG A 42 -6.169 3.676 1.637 1.00 5.73 N ATOM 657 CA ARG A 42 -5.199 4.388 2.482 1.00 6.97 C ATOM 658 C ARG A 42 -4.194 3.358 2.963 1.00 7.15 C ATOM 659 O ARG A 42 -4.669 2.364 3.448 1.00 7.33 O ATOM 660 CB ARG A 42 -5.868 5.104 3.660 1.00 13.23 C ATOM 661 CG ARG A 42 -4.959 5.991 4.483 1.00 21.27 C ATOM 662 CD ARG A 42 -5.845 6.649 5.580 1.00 26.14 C ATOM 663 NE ARG A 42 -6.581 7.834 5.010 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.664 8.432 5.632 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.098 8.138 6.818 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.343 9.243 4.864 1.00 36.39 N ATOM 0 H ARG A 42 -6.720 2.986 2.147 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.709 5.173 1.905 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.688 5.710 3.276 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.307 4.353 4.317 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.155 5.409 4.933 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.490 6.751 3.857 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.557 5.921 5.968 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.224 6.966 6.418 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.265 8.216 4.119 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.632 7.416 7.367 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.905 8.629 7.202 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.057 9.388 3.896 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.159 9.731 5.233 1.00 36.39 H new ATOM 680 N LEU A 43 -2.874 3.563 2.826 1.00 4.65 N ATOM 681 CA LEU A 43 -1.888 2.556 3.124 1.00 3.51 C ATOM 682 C LEU A 43 -0.944 3.110 4.184 1.00 5.56 C ATOM 683 O LEU A 43 -0.355 4.206 4.106 1.00 4.19 O ATOM 684 CB LEU A 43 -1.081 2.263 1.877 1.00 3.74 C ATOM 685 CG LEU A 43 -1.836 1.677 0.678 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.839 1.230 -0.486 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.709 0.489 1.051 1.00 6.41 C ATOM 0 H LEU A 43 -2.476 4.444 2.502 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.377 1.647 3.474 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.605 3.190 1.557 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.283 1.571 2.145 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.480 2.482 0.324 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.412 0.820 -1.318 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.269 2.094 -0.829 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.155 0.471 -0.107 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.218 0.118 0.161 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.087 -0.302 1.470 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.449 0.799 1.789 1.00 6.41 H new ATOM 699 N ILE A 44 -0.848 2.388 5.313 1.00 4.58 N ATOM 700 CA ILE A 44 -0.174 2.920 6.553 1.00 5.55 C ATOM 701 C ILE A 44 1.026 2.080 6.818 1.00 5.46 C ATOM 702 O ILE A 44 0.922 0.868 6.882 1.00 6.04 O ATOM 703 CB ILE A 44 -1.133 3.025 7.748 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.481 3.814 7.402 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.420 3.608 9.028 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.386 5.305 7.141 1.00 13.90 C ATOM 0 H ILE A 44 -1.218 1.443 5.412 1.00 4.58 H new ATOM 0 HA ILE A 44 0.147 3.949 6.391 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.434 2.004 7.983 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.924 3.348 6.522 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.177 3.663 8.227 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.135 3.665 9.849 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.407 2.957 9.312 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.039 4.605 8.809 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.378 5.700 6.921 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.985 5.804 8.023 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.727 5.484 6.291 1.00 13.90 H new ATOM 718 N PHE A 45 2.234 2.756 6.924 1.00 6.75 N ATOM 719 CA PHE A 45 3.464 2.087 7.260 1.00 4.70 C ATOM 720 C PHE A 45 4.073 2.815 8.409 1.00 6.34 C ATOM 721 O PHE A 45 4.155 4.027 8.229 1.00 5.45 O ATOM 722 CB PHE A 45 4.345 1.939 6.011 1.00 5.51 C ATOM 723 CG PHE A 45 5.750 1.679 6.148 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.163 0.469 6.751 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.730 2.690 6.007 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.462 0.147 6.887 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.052 2.404 6.141 1.00 6.64 C ATOM 728 CZ PHE A 45 8.456 1.126 6.613 1.00 6.84 C ATOM 0 H PHE A 45 2.334 3.760 6.773 1.00 6.75 H new ATOM 0 HA PHE A 45 3.310 1.060 7.591 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.923 1.132 5.411 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.241 2.856 5.431 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.413 -0.218 7.114 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.423 3.703 5.790 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.747 -0.846 7.201 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.794 3.147 5.889 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.502 0.902 6.761 1.00 6.84 H new ATOM 738 N ALA A 46 4.489 2.105 9.457 1.00 6.53 N ATOM 739 CA ALA A 46 5.194 2.761 10.555 1.00 7.15 C ATOM 740 C ALA A 46 4.555 4.113 11.076 1.00 9.00 C ATOM 741 O ALA A 46 5.299 5.027 11.525 1.00 11.15 O ATOM 742 CB ALA A 46 6.644 2.994 10.143 1.00 8.99 C ATOM 0 H ALA A 46 4.354 1.100 9.568 1.00 6.53 H new ATOM 0 HA ALA A 46 5.115 2.080 11.402 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.179 3.484 10.957 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.117 2.038 9.921 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.673 3.628 9.256 1.00 8.99 H new ATOM 748 N GLY A 47 3.177 4.156 11.118 1.00 9.35 N ATOM 749 CA GLY A 47 2.403 5.347 11.546 1.00 11.68 C ATOM 750 C GLY A 47 2.243 6.488 10.538 1.00 11.14 C ATOM 751 O GLY A 47 1.802 7.581 10.828 1.00 13.93 O ATOM 0 H GLY A 47 2.590 3.364 10.855 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.407 5.014 11.837 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.877 5.752 12.440 1.00 11.68 H new ATOM 755 N LYS A 48 2.748 6.181 9.354 1.00 10.47 N ATOM 756 CA LYS A 48 2.756 7.120 8.232 1.00 8.82 C ATOM 757 C LYS A 48 1.766 6.764 7.140 1.00 7.68 C ATOM 758 O LYS A 48 1.740 5.598 6.755 1.00 6.47 O ATOM 759 CB LYS A 48 4.111 7.289 7.586 1.00 9.74 C ATOM 760 CG LYS A 48 5.184 7.661 8.567 1.00 14.14 C ATOM 761 CD LYS A 48 6.505 8.093 7.841 1.00 16.32 C ATOM 762 CE LYS A 48 7.663 8.150 8.863 1.00 20.04 C ATOM 763 NZ LYS A 48 9.048 8.426 8.308 1.00 23.92 N ATOM 0 H LYS A 48 3.165 5.275 9.139 1.00 10.47 H new ATOM 0 HA LYS A 48 2.463 8.060 8.700 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.388 6.360 7.087 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.047 8.058 6.816 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.833 8.476 9.200 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.388 6.814 9.222 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.743 7.386 7.046 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.372 9.068 7.372 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.431 8.921 9.598 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.693 7.200 9.397 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.737 8.440 9.086 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.306 7.680 7.631 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.051 9.347 7.826 1.00 23.92 H new ATOM 777 N GLN A 49 1.031 7.706 6.560 1.00 8.89 N ATOM 778 CA GLN A 49 0.254 7.515 5.374 1.00 7.18 C ATOM 779 C GLN A 49 1.193 7.482 4.160 1.00 8.23 C ATOM 780 O GLN A 49 2.066 8.385 4.002 1.00 9.70 O ATOM 781 CB GLN A 49 -0.826 8.660 5.229 1.00 11.67 C ATOM 782 CG GLN A 49 -1.578 8.871 3.877 1.00 15.82 C ATOM 783 CD GLN A 49 -2.391 10.126 3.722 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.642 10.203 3.692 1.00 23.23 O ATOM 785 NE2 GLN A 49 -1.649 11.208 3.493 1.00 20.67 N ATOM 0 H GLN A 49 0.968 8.655 6.929 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.280 6.567 5.435 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.582 8.488 5.995 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.333 9.601 5.473 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.840 8.847 3.075 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.242 8.020 3.725 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -0.631 11.143 3.518 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.098 12.102 3.293 1.00 20.67 H new ATOM 794 N LEU A 50 1.095 6.545 3.252 1.00 6.51 N ATOM 795 CA LEU A 50 1.922 6.566 2.031 1.00 7.41 C ATOM 796 C LEU A 50 1.199 7.171 0.868 1.00 8.27 C ATOM 797 O LEU A 50 0.081 6.719 0.545 1.00 8.34 O ATOM 798 CB LEU A 50 2.357 5.141 1.606 1.00 7.13 C ATOM 799 CG LEU A 50 2.922 4.226 2.703 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.818 2.748 2.289 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.289 4.655 3.162 1.00 9.11 C ATOM 0 H LEU A 50 0.458 5.751 3.317 1.00 6.51 H new ATOM 0 HA LEU A 50 2.792 7.171 2.286 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.496 4.643 1.160 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.110 5.236 0.824 1.00 7.13 H new ATOM 0 HG LEU A 50 2.301 4.331 3.593 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.224 2.119 3.081 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.772 2.490 2.121 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.384 2.587 1.371 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.642 3.975 3.937 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.979 4.634 2.319 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.237 5.667 3.563 1.00 9.11 H new ATOM 813 N GLU A 51 1.666 8.250 0.208 1.00 9.43 N ATOM 814 CA GLU A 51 0.952 8.984 -0.771 1.00 11.90 C ATOM 815 C GLU A 51 1.444 8.631 -2.202 1.00 11.49 C ATOM 816 O GLU A 51 2.577 8.389 -2.532 1.00 9.88 O ATOM 817 CB GLU A 51 1.247 10.466 -0.526 1.00 16.56 C ATOM 818 CG GLU A 51 0.566 11.481 -1.444 1.00 26.06 C ATOM 819 CD GLU A 51 1.143 12.854 -1.436 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.198 13.094 -2.084 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.567 13.770 -0.790 1.00 33.44 O ATOM 0 H GLU A 51 2.600 8.624 0.376 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.110 8.750 -0.698 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.966 10.700 0.501 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.324 10.612 -0.603 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.600 11.099 -2.464 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.485 11.548 -1.164 1.00 26.06 H new ATOM 828 N ASP A 52 0.483 8.580 -3.155 1.00 12.71 N ATOM 829 CA ASP A 52 0.470 7.937 -4.429 1.00 16.56 C ATOM 830 C ASP A 52 1.658 8.206 -5.432 1.00 15.83 C ATOM 831 O ASP A 52 2.291 7.266 -5.904 1.00 17.21 O ATOM 832 CB ASP A 52 -0.877 8.116 -5.183 1.00 21.05 C ATOM 833 CG ASP A 52 -2.070 7.875 -4.268 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.234 8.375 -3.103 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.910 7.013 -4.700 1.00 28.37 O ATOM 0 H ASP A 52 -0.402 9.061 -2.996 1.00 12.71 H new ATOM 0 HA ASP A 52 0.617 6.905 -4.109 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.932 9.123 -5.595 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.918 7.424 -6.024 1.00 21.05 H new ATOM 840 N GLY A 53 2.015 9.515 -5.470 1.00 15.00 N ATOM 841 CA GLY A 53 3.031 10.122 -6.360 1.00 11.77 C ATOM 842 C GLY A 53 4.417 10.044 -5.783 1.00 11.10 C ATOM 843 O GLY A 53 5.369 10.536 -6.360 1.00 11.25 O ATOM 0 H GLY A 53 1.583 10.203 -4.854 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.013 9.616 -7.325 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.774 11.166 -6.542 1.00 11.77 H new ATOM 847 N ARG A 54 4.624 9.448 -4.597 1.00 8.53 N ATOM 848 CA ARG A 54 5.849 9.115 -3.894 1.00 9.05 C ATOM 849 C ARG A 54 6.356 7.753 -4.314 1.00 8.96 C ATOM 850 O ARG A 54 5.672 6.971 -4.968 1.00 11.60 O ATOM 851 CB ARG A 54 5.709 9.228 -2.426 1.00 7.97 C ATOM 852 CG ARG A 54 4.902 10.479 -1.912 1.00 9.62 C ATOM 853 CD ARG A 54 5.535 11.809 -2.132 1.00 12.20 C ATOM 854 NE ARG A 54 4.802 12.841 -1.302 1.00 18.23 N ATOM 855 CZ ARG A 54 5.367 13.993 -0.825 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.669 14.280 -1.021 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.633 14.787 -0.138 1.00 23.38 N ATOM 0 H ARG A 54 3.818 9.154 -4.045 1.00 8.53 H new ATOM 0 HA ARG A 54 6.598 9.853 -4.180 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.221 8.326 -2.055 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.706 9.255 -1.985 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.926 10.480 -2.398 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.726 10.357 -0.843 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.588 11.777 -1.851 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.495 12.076 -3.188 1.00 12.20 H new ATOM 0 HE ARG A 54 3.821 12.666 -1.083 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.262 13.630 -1.537 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.061 15.147 -0.653 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.656 14.553 0.040 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.025 15.653 0.231 1.00 23.38 H new ATOM 871 N THR A 55 7.569 7.337 -3.992 1.00 9.05 N ATOM 872 CA THR A 55 8.135 5.968 -4.206 1.00 9.03 C ATOM 873 C THR A 55 8.260 5.198 -2.953 1.00 8.15 C ATOM 874 O THR A 55 8.144 5.791 -1.866 1.00 5.91 O ATOM 875 CB THR A 55 9.461 5.965 -4.917 1.00 11.15 C ATOM 876 OG1 THR A 55 10.486 6.526 -4.073 1.00 11.95 O ATOM 877 CG2 THR A 55 9.407 6.754 -6.149 1.00 11.71 C ATOM 0 H THR A 55 8.242 7.962 -3.548 1.00 9.05 H new ATOM 0 HA THR A 55 7.404 5.482 -4.852 1.00 9.03 H new ATOM 0 HB THR A 55 9.692 4.928 -5.159 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.343 6.516 -4.548 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.381 6.731 -6.638 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.655 6.334 -6.817 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.145 7.785 -5.910 1.00 11.71 H new ATOM 885 N LEU A 56 8.447 3.941 -2.999 1.00 6.91 N ATOM 886 CA LEU A 56 8.936 3.181 -1.800 1.00 8.29 C ATOM 887 C LEU A 56 10.143 3.738 -1.093 1.00 8.05 C ATOM 888 O LEU A 56 10.102 3.978 0.117 1.00 10.17 O ATOM 889 CB LEU A 56 9.190 1.665 -2.212 1.00 6.60 C ATOM 890 CG LEU A 56 7.931 0.817 -2.200 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.122 1.020 -3.548 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.443 -0.601 -2.114 1.00 8.64 C ATOM 0 H LEU A 56 8.285 3.368 -3.827 1.00 6.91 H new ATOM 0 HA LEU A 56 8.139 3.277 -1.063 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.629 1.636 -3.209 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.920 1.228 -1.530 1.00 6.60 H new ATOM 0 HG LEU A 56 7.259 1.075 -1.382 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.221 0.407 -3.528 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.845 2.069 -3.651 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.743 0.724 -4.393 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.600 -1.292 -2.100 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.072 -0.814 -2.978 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.027 -0.722 -1.202 1.00 8.64 H new ATOM 904 N SER A 57 11.209 3.960 -1.789 1.00 8.92 N ATOM 905 CA SER A 57 12.421 4.585 -1.283 1.00 9.00 C ATOM 906 C SER A 57 12.271 5.839 -0.471 1.00 9.44 C ATOM 907 O SER A 57 13.012 6.023 0.507 1.00 10.91 O ATOM 908 CB SER A 57 13.523 4.651 -2.338 1.00 10.32 C ATOM 909 OG SER A 57 14.824 4.755 -1.818 1.00 13.59 O ATOM 0 H SER A 57 11.278 3.704 -2.774 1.00 8.92 H new ATOM 0 HA SER A 57 12.749 3.889 -0.511 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.465 3.759 -2.961 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.336 5.506 -2.987 1.00 10.32 H new ATOM 0 HG SER A 57 15.469 4.790 -2.555 1.00 13.59 H new ATOM 915 N ASP A 58 11.396 6.750 -0.823 1.00 9.11 N ATOM 916 CA ASP A 58 11.156 7.999 -0.151 1.00 7.91 C ATOM 917 C ASP A 58 10.686 7.777 1.307 1.00 9.12 C ATOM 918 O ASP A 58 11.112 8.469 2.213 1.00 8.61 O ATOM 919 CB ASP A 58 10.120 8.886 -0.945 1.00 8.41 C ATOM 920 CG ASP A 58 10.535 9.015 -2.357 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.715 9.351 -2.592 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.630 8.965 -3.293 1.00 10.05 O ATOM 0 H ASP A 58 10.796 6.628 -1.639 1.00 9.11 H new ATOM 0 HA ASP A 58 12.104 8.536 -0.117 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.128 8.437 -0.889 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.049 9.873 -0.488 1.00 8.41 H new ATOM 927 N TYR A 59 9.945 6.650 1.549 1.00 7.97 N ATOM 928 CA TYR A 59 9.369 6.207 2.786 1.00 8.45 C ATOM 929 C TYR A 59 10.189 5.162 3.481 1.00 10.98 C ATOM 930 O TYR A 59 9.826 4.705 4.562 1.00 12.95 O ATOM 931 CB TYR A 59 7.882 5.691 2.721 1.00 7.94 C ATOM 932 CG TYR A 59 6.883 6.800 2.367 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.511 7.696 3.371 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.215 6.845 1.120 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.583 8.705 3.021 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.321 7.876 0.804 1.00 6.52 C ATOM 937 CZ TYR A 59 5.037 8.813 1.749 1.00 6.76 C ATOM 938 OH TYR A 59 4.077 9.804 1.612 1.00 7.63 O ATOM 0 H TYR A 59 9.739 5.997 0.793 1.00 7.97 H new ATOM 0 HA TYR A 59 9.363 7.136 3.357 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.811 4.894 1.981 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.610 5.257 3.683 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.914 7.622 4.370 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.399 6.066 0.395 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.287 9.420 3.774 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.865 7.926 -0.174 1.00 6.52 H new ATOM 0 HH TYR A 59 4.509 10.644 1.349 1.00 7.63 H new ATOM 948 N ASN A 60 11.377 4.818 2.936 1.00 12.38 N ATOM 949 CA ASN A 60 12.294 3.811 3.506 1.00 13.94 C ATOM 950 C ASN A 60 11.665 2.456 3.798 1.00 14.16 C ATOM 951 O ASN A 60 11.877 1.817 4.824 1.00 14.26 O ATOM 952 CB ASN A 60 13.105 4.403 4.742 1.00 19.23 C ATOM 953 CG ASN A 60 13.811 5.667 4.407 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.581 5.671 3.437 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.610 6.804 5.124 1.00 24.09 N ATOM 0 H ASN A 60 11.729 5.239 2.076 1.00 12.38 H new ATOM 0 HA ASN A 60 13.009 3.588 2.714 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.419 4.582 5.570 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.831 3.665 5.083 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.094 7.663 4.864 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.975 6.798 5.922 1.00 24.09 H new ATOM 962 N ILE A 61 10.736 1.984 2.904 1.00 11.08 N ATOM 963 CA ILE A 61 10.155 0.628 2.965 1.00 11.78 C ATOM 964 C ILE A 61 11.223 -0.360 2.618 1.00 13.74 C ATOM 965 O ILE A 61 11.686 -0.518 1.522 1.00 14.60 O ATOM 966 CB ILE A 61 8.913 0.492 2.070 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.788 1.249 2.801 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.579 -1.027 1.882 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.718 1.734 1.822 1.00 11.42 C ATOM 0 H ILE A 61 10.380 2.543 2.129 1.00 11.08 H new ATOM 0 HA ILE A 61 9.801 0.428 3.976 1.00 11.78 H new ATOM 0 HB ILE A 61 9.057 0.907 1.072 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.333 0.597 3.547 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.208 2.101 3.336 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.699 -1.130 1.248 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.425 -1.530 1.413 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.381 -1.479 2.854 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.938 2.264 2.369 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.170 2.405 1.092 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.282 0.878 1.306 1.00 11.42 H new ATOM 981 N GLN A 62 11.618 -1.143 3.688 1.00 13.97 N ATOM 982 CA GLN A 62 12.570 -2.232 3.536 1.00 15.52 C ATOM 983 C GLN A 62 11.861 -3.576 3.253 1.00 13.94 C ATOM 984 O GLN A 62 10.638 -3.757 3.398 1.00 12.15 O ATOM 985 CB GLN A 62 13.502 -2.283 4.709 1.00 19.53 C ATOM 986 CG GLN A 62 14.339 -0.988 4.796 1.00 26.38 C ATOM 987 CD GLN A 62 15.263 -1.149 5.964 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.957 -0.803 7.132 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.478 -1.695 5.743 1.00 32.71 N ATOM 0 H GLN A 62 11.277 -1.015 4.641 1.00 13.97 H new ATOM 0 HA GLN A 62 13.184 -2.039 2.656 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.931 -2.416 5.628 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.164 -3.144 4.617 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.902 -0.829 3.876 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.695 -0.119 4.930 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.744 -1.982 4.801 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.129 -1.820 6.518 1.00 32.71 H new ATOM 998 N LYS A 63 12.643 -4.592 2.767 1.00 11.73 N ATOM 999 CA LYS A 63 12.151 -6.004 2.625 1.00 11.97 C ATOM 1000 C LYS A 63 11.419 -6.498 3.826 1.00 10.41 C ATOM 1001 O LYS A 63 11.811 -6.316 4.982 1.00 9.59 O ATOM 1002 CB LYS A 63 13.343 -6.856 2.170 1.00 13.73 C ATOM 1003 CG LYS A 63 14.397 -6.995 3.290 1.00 16.98 C ATOM 1004 CD LYS A 63 15.385 -8.076 2.986 1.00 20.19 C ATOM 1005 CE LYS A 63 16.205 -8.582 4.170 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.317 -9.170 5.168 1.00 25.97 N ATOM 0 H LYS A 63 13.610 -4.461 2.469 1.00 11.73 H new ATOM 0 HA LYS A 63 11.376 -6.071 1.862 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.993 -7.845 1.873 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.802 -6.403 1.291 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.921 -6.048 3.417 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.898 -7.212 4.235 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.849 -8.920 2.553 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.072 -7.710 2.223 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.930 -9.323 3.833 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.770 -7.761 4.611 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.698 -10.088 5.474 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.246 -8.534 5.988 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.373 -9.308 4.754 1.00 25.97 H new ATOM 1020 N GLU A 64 10.153 -6.990 3.597 1.00 10.04 N ATOM 1021 CA GLU A 64 9.385 -7.743 4.565 1.00 10.94 C ATOM 1022 C GLU A 64 8.796 -6.836 5.655 1.00 9.74 C ATOM 1023 O GLU A 64 8.292 -7.268 6.685 1.00 9.42 O ATOM 1024 CB GLU A 64 10.218 -8.916 5.252 1.00 18.31 C ATOM 1025 CG GLU A 64 10.902 -9.937 4.254 1.00 24.16 C ATOM 1026 CD GLU A 64 12.104 -10.545 4.819 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.054 -11.244 5.874 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.189 -10.366 4.188 1.00 31.72 O ATOM 0 H GLU A 64 9.662 -6.854 2.713 1.00 10.04 H new ATOM 0 HA GLU A 64 8.575 -8.197 3.994 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.992 -8.471 5.877 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.554 -9.471 5.914 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.190 -10.720 3.994 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.159 -9.420 3.329 1.00 24.16 H new ATOM 1035 N SER A 65 8.661 -5.527 5.286 1.00 6.85 N ATOM 1036 CA SER A 65 7.864 -4.541 5.917 1.00 6.90 C ATOM 1037 C SER A 65 6.401 -4.904 5.768 1.00 4.72 C ATOM 1038 O SER A 65 5.966 -5.588 4.790 1.00 3.91 O ATOM 1039 CB SER A 65 7.972 -3.091 5.310 1.00 7.28 C ATOM 1040 OG SER A 65 9.302 -2.681 5.447 1.00 10.56 O ATOM 0 H SER A 65 9.159 -5.152 4.479 1.00 6.85 H new ATOM 0 HA SER A 65 8.233 -4.524 6.942 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.676 -3.090 4.261 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.303 -2.406 5.830 1.00 7.28 H new ATOM 0 HG SER A 65 9.879 -3.252 4.898 1.00 10.56 H new ATOM 1046 N THR A 66 5.583 -4.600 6.798 1.00 4.48 N ATOM 1047 CA THR A 66 4.150 -4.767 6.782 1.00 3.80 C ATOM 1048 C THR A 66 3.511 -3.401 6.582 1.00 4.60 C ATOM 1049 O THR A 66 3.571 -2.487 7.419 1.00 5.33 O ATOM 1050 CB THR A 66 3.529 -5.538 7.967 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.081 -6.817 7.950 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.012 -5.607 7.847 1.00 3.40 C ATOM 0 H THR A 66 5.931 -4.222 7.679 1.00 4.48 H new ATOM 0 HA THR A 66 3.929 -5.431 5.946 1.00 3.80 H new ATOM 0 HB THR A 66 3.745 -5.030 8.907 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.713 -7.342 8.691 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.604 -6.156 8.696 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.602 -4.597 7.837 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.743 -6.117 6.922 1.00 3.40 H new ATOM 1060 N LEU A 67 2.760 -3.259 5.498 1.00 4.17 N ATOM 1061 CA LEU A 67 1.987 -2.188 5.158 1.00 3.85 C ATOM 1062 C LEU A 67 0.519 -2.524 5.447 1.00 3.80 C ATOM 1063 O LEU A 67 0.052 -3.657 5.221 1.00 5.54 O ATOM 1064 CB LEU A 67 2.050 -1.760 3.653 1.00 7.18 C ATOM 1065 CG LEU A 67 3.411 -1.822 3.004 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.231 -1.594 1.515 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.524 -0.983 3.569 1.00 11.66 C ATOM 0 H LEU A 67 2.708 -3.997 4.796 1.00 4.17 H new ATOM 0 HA LEU A 67 2.383 -1.362 5.749 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.370 -2.396 3.086 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.676 -0.740 3.570 1.00 7.18 H new ATOM 0 HG LEU A 67 3.784 -2.819 3.238 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.202 -1.634 1.021 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.583 -2.368 1.104 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.779 -0.616 1.349 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.432 -1.144 2.988 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.246 0.070 3.522 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.702 -1.266 4.607 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.328 -1.577 5.925 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.706 -1.843 6.385 1.00 4.17 C ATOM 1081 C HIS A 68 -2.690 -1.222 5.438 1.00 5.32 C ATOM 1082 O HIS A 68 -2.464 -0.106 4.992 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.953 -1.322 7.842 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.109 -1.957 8.905 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.246 -1.713 8.937 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.335 -2.928 9.824 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.764 -2.542 9.888 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.135 -3.316 10.461 1.00 16.30 N ATOM 0 H HIS A 68 -0.064 -0.595 6.001 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.845 -2.924 6.400 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.779 -0.246 7.859 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.002 -1.480 8.093 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.305 -3.350 10.041 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.812 -2.562 10.147 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.002 -4.021 11.185 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.778 -1.890 5.112 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.698 -1.512 4.160 1.00 3.97 C ATOM 1098 C LEU A 69 -6.008 -1.082 4.753 1.00 5.07 C ATOM 1099 O LEU A 69 -6.764 -1.808 5.415 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.930 -2.619 3.147 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.133 -2.446 2.181 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.102 -1.132 1.318 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.188 -3.491 1.133 1.00 9.96 C ATOM 0 H LEU A 69 -4.023 -2.771 5.563 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.267 -0.648 3.655 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.026 -2.725 2.547 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.063 -3.554 3.691 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.969 -2.467 2.881 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.981 -1.098 0.675 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.101 -0.264 1.977 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.202 -1.122 0.703 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.050 -3.316 0.489 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.277 -3.456 0.536 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.278 -4.471 1.601 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.299 0.175 4.627 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.430 0.827 5.216 1.00 6.26 C ATOM 1117 C VAL A 70 -8.364 1.231 4.149 1.00 9.22 C ATOM 1118 O VAL A 70 -8.018 2.026 3.336 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.974 2.021 6.093 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.242 2.599 6.741 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.081 1.525 7.195 1.00 8.54 C ATOM 0 H VAL A 70 -5.721 0.812 4.079 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.955 0.140 5.880 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.440 2.758 5.493 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.974 3.447 7.372 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.930 2.929 5.963 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.722 1.832 7.348 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.761 2.366 7.811 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.626 0.811 7.812 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.206 1.038 6.763 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.623 0.649 4.069 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.668 1.149 3.171 1.00 16.06 C ATOM 1133 C LEU A 71 -10.965 2.621 3.331 1.00 18.09 C ATOM 1134 O LEU A 71 -11.400 3.045 4.441 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.898 0.191 3.228 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.957 0.288 2.076 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.623 1.651 1.862 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.392 -0.155 0.713 1.00 19.57 C ATOM 0 H LEU A 71 -9.905 -0.159 4.624 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.299 1.122 2.146 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.524 -0.832 3.253 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.414 0.365 4.172 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.724 -0.394 2.442 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.333 1.584 1.038 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.148 1.946 2.770 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.862 2.395 1.625 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.167 -0.068 -0.048 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.548 0.480 0.445 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.061 -1.191 0.776 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.648 3.516 2.369 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.807 4.938 2.595 1.00 25.83 C ATOM 1152 C ARG A 72 -12.105 5.509 2.006 1.00 27.74 C ATOM 1153 O ARG A 72 -12.423 5.378 0.834 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.612 5.643 1.945 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.762 7.187 1.790 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.049 7.569 0.336 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.022 9.084 0.243 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.093 9.754 -0.910 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.312 9.195 -2.097 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.833 11.055 -0.890 1.00 35.02 N ATOM 0 H ARG A 72 -10.287 3.267 1.448 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.857 5.105 3.671 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.721 5.437 2.539 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.445 5.209 0.959 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.570 7.543 2.429 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.849 7.680 2.125 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.304 7.132 -0.329 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.020 7.184 0.024 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.945 9.619 1.108 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.439 8.186 -2.170 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.353 9.776 -2.935 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.588 11.513 -0.012 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.878 11.597 -1.753 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.848 6.159 2.873 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.905 6.996 2.497 1.00 30.76 C ATOM 1176 C LEU A 73 -13.366 8.481 2.544 1.00 32.18 C ATOM 1177 O LEU A 73 -12.531 8.756 3.406 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.124 6.875 3.430 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.619 5.480 3.645 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.772 5.585 4.638 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.921 4.770 2.424 1.00 29.11 C ATOM 0 H LEU A 73 -12.709 6.101 3.882 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.240 6.706 1.501 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.867 7.306 4.397 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.937 7.474 3.020 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.835 4.849 4.063 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.175 4.591 4.834 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.411 6.020 5.570 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.555 6.218 4.221 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.274 3.767 2.664 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.695 5.305 1.874 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.022 4.702 1.811 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.767 9.390 1.608 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.189 10.679 1.489 1.00 35.33 C ATOM 1195 C ARG A 74 -13.182 11.637 2.676 1.00 36.22 C ATOM 1196 O ARG A 74 -12.192 12.284 3.143 1.00 36.70 O ATOM 1197 CB ARG A 74 -13.646 11.392 0.191 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.593 10.497 -1.033 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.278 11.361 -2.279 1.00 39.75 C ATOM 1200 NE ARG A 74 -12.982 10.499 -3.441 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.281 10.815 -4.529 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.681 12.003 -4.626 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.218 10.004 -5.574 1.00 41.93 N ATOM 0 H ARG A 74 -14.508 9.207 0.931 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.134 10.409 1.452 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.665 11.756 0.323 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.015 12.265 0.022 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.830 9.729 -0.905 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.545 9.982 -1.164 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.126 12.008 -2.505 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.427 12.010 -2.074 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.358 9.551 -3.407 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.757 12.677 -3.864 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.146 12.237 -5.462 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.714 9.113 -5.558 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.674 10.271 -6.394 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.377 11.651 3.364 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.730 12.504 4.460 1.00 36.07 C ATOM 1219 C GLY A 75 -14.097 12.088 5.776 1.00 36.16 C ATOM 1220 O GLY A 75 -14.166 12.765 6.792 1.00 36.26 O ATOM 0 H GLY A 75 -15.135 11.013 3.120 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.429 13.525 4.227 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.814 12.509 4.572 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.413 10.936 5.777 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.584 10.392 6.841 1.00 36.19 C ATOM 1226 C GLY A 76 -11.197 9.929 6.353 1.00 36.20 C ATOM 1227 O GLY A 76 -10.882 10.266 5.186 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.528 9.102 7.062 1.00 0.00 O ATOM 0 H GLY A 76 -13.432 10.318 4.966 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.456 11.148 7.616 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.100 9.549 7.300 1.00 36.19 H new TER 1232 GLY A 76