USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 7 THR OG1 : rot 180:sc= 0.826 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -165:sc= 0.452 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.418 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0466 (180deg=-0.41) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.23 (180deg=0.747) USER MOD Single : A 2 GLN : amide:sc= 0.654 K(o=0.65,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 0.935 (180deg=-0.221!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 25 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 2.07 (180deg=1.81) USER MOD Single : A 29 LYS NZ :NH3+ 132:sc= 1.49 (180deg=0.905) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.225 K(o=0.22,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 55 THR OG1 : rot -73:sc= 0.682 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.028) USER MOD Single : A 62 GLN : amide:sc= -0.443 K(o=-0.44,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 127:sc= 1.13 (180deg=0.0826) USER MOD Single : A 65 SER OG : rot -161:sc= 0.0326 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 68 HIS : no HE2:sc= -0.165 K(o=-0.17,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.966 -4.490 -3.785 1.00 0.78 N ATOM 2 CA MET A 1 12.586 -5.221 -2.556 1.00 0.70 C ATOM 3 C MET A 1 11.183 -5.721 -2.513 1.00 0.62 C ATOM 4 O MET A 1 10.391 -5.211 -3.302 1.00 0.68 O ATOM 5 CB MET A 1 12.787 -4.299 -1.342 1.00 0.75 C ATOM 6 CG MET A 1 12.076 -2.946 -1.403 1.00 0.79 C ATOM 7 SD MET A 1 12.591 -1.796 -0.092 1.00 1.10 S ATOM 8 CE MET A 1 11.057 -0.840 0.078 1.00 0.84 C ATOM 0 H1 MET A 1 13.729 -3.818 -3.567 1.00 0.78 H new ATOM 0 H2 MET A 1 13.295 -5.166 -4.503 1.00 0.78 H new ATOM 0 H3 MET A 1 12.141 -3.971 -4.149 1.00 0.78 H new ATOM 0 HA MET A 1 13.229 -6.101 -2.542 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.447 -4.826 -0.450 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.855 -4.121 -1.219 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.267 -2.487 -2.373 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.000 -3.106 -1.333 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.277 0.121 0.543 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.620 -0.675 -0.907 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.352 -1.391 0.700 1.00 0.84 H new ATOM 20 N GLN A 2 10.834 -6.707 -1.667 1.00 0.59 N ATOM 21 CA GLN A 2 9.465 -7.120 -1.682 1.00 0.56 C ATOM 22 C GLN A 2 8.835 -6.424 -0.525 1.00 0.50 C ATOM 23 O GLN A 2 9.489 -6.243 0.500 1.00 0.60 O ATOM 24 CB GLN A 2 9.172 -8.625 -1.567 1.00 0.71 C ATOM 25 CG GLN A 2 9.706 -9.354 -0.334 1.00 1.15 C ATOM 26 CD GLN A 2 9.516 -10.863 -0.393 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.111 -11.363 -1.442 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.636 -11.619 0.731 1.00 1.72 N ATOM 0 H GLN A 2 11.451 -7.191 -1.014 1.00 0.59 H new ATOM 0 HA GLN A 2 9.072 -6.865 -2.666 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.091 -8.761 -1.596 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.579 -9.116 -2.451 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.768 -9.133 -0.222 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.205 -8.967 0.553 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.973 -11.197 1.596 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.390 -12.609 0.709 1.00 1.72 H new ATOM 37 N ILE A 3 7.577 -5.966 -0.662 1.00 0.44 N ATOM 38 CA ILE A 3 6.783 -5.483 0.425 1.00 0.42 C ATOM 39 C ILE A 3 5.603 -6.386 0.523 1.00 0.40 C ATOM 40 O ILE A 3 5.193 -7.063 -0.419 1.00 0.50 O ATOM 41 CB ILE A 3 6.329 -4.055 0.358 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.805 -3.720 -1.049 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.535 -3.200 0.781 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.721 -2.650 -1.171 1.00 0.72 C ATOM 0 H ILE A 3 7.096 -5.931 -1.561 1.00 0.44 H new ATOM 0 HA ILE A 3 7.426 -5.492 1.305 1.00 0.42 H new ATOM 0 HB ILE A 3 5.491 -3.855 1.026 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.654 -3.407 -1.657 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.419 -4.639 -1.490 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.262 -2.145 0.751 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.834 -3.469 1.794 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.365 -3.379 0.098 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.452 -2.522 -2.220 1.00 0.72 H new ATOM 0 HD12 ILE A 3 3.841 -2.957 -0.606 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.095 -1.706 -0.775 1.00 0.72 H new ATOM 56 N PHE A 4 4.895 -6.301 1.663 1.00 0.37 N ATOM 57 CA PHE A 4 3.719 -7.062 1.953 1.00 0.38 C ATOM 58 C PHE A 4 2.581 -6.119 2.144 1.00 0.39 C ATOM 59 O PHE A 4 2.527 -5.352 3.105 1.00 0.60 O ATOM 60 CB PHE A 4 3.852 -7.916 3.225 1.00 0.45 C ATOM 61 CG PHE A 4 4.952 -8.918 3.148 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.110 -9.723 2.045 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.946 -8.949 4.097 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.145 -10.608 1.860 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.002 -9.819 3.953 1.00 1.40 C ATOM 66 CZ PHE A 4 7.131 -10.582 2.818 1.00 0.85 C ATOM 0 H PHE A 4 5.156 -5.670 2.421 1.00 0.37 H new ATOM 0 HA PHE A 4 3.558 -7.740 1.115 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.026 -7.260 4.078 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.910 -8.434 3.407 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.365 -9.655 1.266 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.898 -8.292 4.953 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.182 -11.281 1.016 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.737 -9.903 4.740 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.024 -11.173 2.675 1.00 0.85 H new ATOM 76 N VAL A 5 1.526 -6.268 1.325 1.00 0.35 N ATOM 77 CA VAL A 5 0.321 -5.532 1.556 1.00 0.35 C ATOM 78 C VAL A 5 -0.616 -6.521 2.158 1.00 0.35 C ATOM 79 O VAL A 5 -0.632 -7.709 1.835 1.00 0.46 O ATOM 80 CB VAL A 5 -0.203 -4.845 0.331 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.506 -4.060 0.561 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.938 -3.904 -0.093 1.00 0.56 C ATOM 0 H VAL A 5 1.504 -6.887 0.515 1.00 0.35 H new ATOM 0 HA VAL A 5 0.481 -4.689 2.228 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.472 -5.577 -0.431 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.819 -3.593 -0.373 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.285 -4.741 0.905 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.339 -3.290 1.314 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.644 -3.355 -0.988 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.147 -3.200 0.712 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.833 -4.489 -0.304 1.00 0.56 H new ATOM 92 N LYS A 6 -1.388 -6.116 3.182 1.00 0.36 N ATOM 93 CA LYS A 6 -2.444 -6.833 3.827 1.00 0.39 C ATOM 94 C LYS A 6 -3.779 -6.224 3.569 1.00 0.46 C ATOM 95 O LYS A 6 -3.783 -4.997 3.661 1.00 0.53 O ATOM 96 CB LYS A 6 -2.303 -6.720 5.355 1.00 0.54 C ATOM 97 CG LYS A 6 -1.202 -7.585 5.971 1.00 1.22 C ATOM 98 CD LYS A 6 -1.487 -9.084 6.072 1.00 1.37 C ATOM 99 CE LYS A 6 -0.379 -9.868 6.779 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.783 -11.288 6.864 1.00 2.09 N ATOM 0 H LYS A 6 -1.258 -5.194 3.598 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.376 -7.852 3.445 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.110 -5.678 5.610 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.255 -6.990 5.813 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.293 -7.449 5.384 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.994 -7.209 6.973 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.425 -9.233 6.607 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.625 -9.488 5.069 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.559 -9.774 6.231 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.207 -9.464 7.777 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.177 -11.781 7.551 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.775 -11.349 7.170 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.681 -11.734 5.930 1.00 2.09 H new ATOM 114 N THR A 7 -4.826 -7.055 3.422 1.00 0.58 N ATOM 115 CA THR A 7 -6.154 -6.577 3.187 1.00 0.78 C ATOM 116 C THR A 7 -6.905 -6.309 4.445 1.00 0.94 C ATOM 117 O THR A 7 -6.383 -6.390 5.556 1.00 0.99 O ATOM 118 CB THR A 7 -6.894 -7.447 2.215 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.132 -8.750 2.727 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.031 -7.524 0.945 1.00 0.92 C ATOM 0 H THR A 7 -4.751 -8.071 3.467 1.00 0.58 H new ATOM 0 HA THR A 7 -6.062 -5.602 2.708 1.00 0.78 H new ATOM 0 HB THR A 7 -7.876 -7.018 2.013 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.618 -9.280 2.061 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.529 -8.149 0.204 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.891 -6.522 0.539 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.061 -7.955 1.190 1.00 0.92 H new ATOM 128 N LEU A 8 -8.213 -6.003 4.379 1.00 1.17 N ATOM 129 CA LEU A 8 -9.165 -5.956 5.446 1.00 1.39 C ATOM 130 C LEU A 8 -9.279 -7.185 6.279 1.00 1.44 C ATOM 131 O LEU A 8 -9.432 -7.242 7.499 1.00 1.60 O ATOM 132 CB LEU A 8 -10.515 -5.591 4.805 1.00 1.66 C ATOM 133 CG LEU A 8 -10.722 -4.254 4.073 1.00 2.11 C ATOM 134 CD1 LEU A 8 -12.108 -4.018 3.450 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.446 -3.038 4.973 1.00 2.43 C ATOM 0 H LEU A 8 -8.645 -5.765 3.486 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.820 -5.214 6.166 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.752 -6.382 4.093 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.264 -5.639 5.595 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.998 -4.347 3.264 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.127 -3.042 2.964 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.313 -4.795 2.713 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.868 -4.050 4.231 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.607 -2.121 4.406 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.120 -3.058 5.829 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.414 -3.071 5.323 1.00 2.43 H new ATOM 147 N THR A 9 -9.204 -8.384 5.674 1.00 1.41 N ATOM 148 CA THR A 9 -9.290 -9.658 6.317 1.00 1.51 C ATOM 149 C THR A 9 -7.969 -10.167 6.779 1.00 1.37 C ATOM 150 O THR A 9 -7.797 -10.730 7.860 1.00 1.62 O ATOM 151 CB THR A 9 -9.973 -10.723 5.511 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.305 -10.949 4.279 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.371 -10.221 5.111 1.00 2.08 C ATOM 0 H THR A 9 -9.074 -8.468 4.666 1.00 1.41 H new ATOM 0 HA THR A 9 -9.919 -9.452 7.183 1.00 1.51 H new ATOM 0 HB THR A 9 -9.991 -11.627 6.120 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.772 -11.649 3.777 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.878 -10.987 4.524 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.952 -10.008 6.009 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.275 -9.312 4.517 1.00 2.08 H new ATOM 161 N GLY A 10 -6.939 -9.862 5.970 1.00 1.18 N ATOM 162 CA GLY A 10 -5.582 -10.247 6.207 1.00 1.22 C ATOM 163 C GLY A 10 -4.925 -10.935 5.061 1.00 0.99 C ATOM 164 O GLY A 10 -3.990 -11.695 5.309 1.00 1.31 O ATOM 0 H GLY A 10 -7.057 -9.323 5.112 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.004 -9.358 6.460 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.551 -10.905 7.075 1.00 1.22 H new ATOM 168 N LYS A 11 -5.320 -10.696 3.798 1.00 0.73 N ATOM 169 CA LYS A 11 -4.788 -11.442 2.699 1.00 0.60 C ATOM 170 C LYS A 11 -3.448 -10.907 2.328 1.00 0.51 C ATOM 171 O LYS A 11 -3.320 -9.745 1.945 1.00 0.63 O ATOM 172 CB LYS A 11 -5.722 -11.617 1.490 1.00 0.75 C ATOM 173 CG LYS A 11 -5.545 -12.810 0.548 1.00 0.87 C ATOM 174 CD LYS A 11 -4.379 -12.821 -0.444 1.00 1.04 C ATOM 175 CE LYS A 11 -4.216 -11.643 -1.407 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.188 -11.926 -2.486 1.00 1.40 N ATOM 0 H LYS A 11 -6.006 -9.988 3.537 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.681 -12.466 3.056 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.742 -11.655 1.872 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.642 -10.713 0.886 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.457 -13.704 1.166 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -6.465 -12.911 -0.028 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.457 -12.906 0.132 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.465 -13.727 -1.044 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.430 -10.694 -0.916 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.198 -11.580 -1.793 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.831 -11.541 -3.384 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.317 -12.954 -2.576 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.100 -11.482 -2.257 1.00 1.40 H new ATOM 190 N THR A 12 -2.317 -11.631 2.255 1.00 0.49 N ATOM 191 CA THR A 12 -1.037 -11.144 1.842 1.00 0.48 C ATOM 192 C THR A 12 -0.783 -10.977 0.383 1.00 0.52 C ATOM 193 O THR A 12 -0.714 -11.970 -0.339 1.00 0.72 O ATOM 194 CB THR A 12 0.183 -11.591 2.592 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.189 -11.694 3.958 1.00 0.77 O ATOM 196 CG2 THR A 12 1.333 -10.573 2.516 1.00 0.78 C ATOM 0 H THR A 12 -2.296 -12.621 2.501 1.00 0.49 H new ATOM 0 HA THR A 12 -1.208 -10.132 2.208 1.00 0.48 H new ATOM 0 HB THR A 12 0.529 -12.528 2.156 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.583 -11.987 4.486 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.189 -10.949 3.076 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.618 -10.423 1.475 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.008 -9.624 2.943 1.00 0.78 H new ATOM 204 N ILE A 13 -0.507 -9.736 -0.056 1.00 0.48 N ATOM 205 CA ILE A 13 -0.096 -9.391 -1.382 1.00 0.55 C ATOM 206 C ILE A 13 1.355 -9.055 -1.397 1.00 0.51 C ATOM 207 O ILE A 13 1.815 -8.155 -0.694 1.00 0.56 O ATOM 208 CB ILE A 13 -0.884 -8.237 -1.928 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.320 -8.140 -1.384 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.904 -8.319 -3.463 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.939 -6.787 -1.732 1.00 1.55 C ATOM 0 H ILE A 13 -0.575 -8.922 0.555 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.282 -10.257 -2.017 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.381 -7.330 -1.592 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.928 -8.942 -1.803 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.314 -8.276 -0.302 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.476 -7.482 -3.865 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.117 -8.277 -3.843 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.367 -9.256 -3.771 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.954 -6.739 -1.338 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.341 -5.989 -1.292 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.964 -6.666 -2.815 1.00 1.55 H new ATOM 223 N THR A 14 2.155 -9.781 -2.197 1.00 0.55 N ATOM 224 CA THR A 14 3.566 -9.589 -2.341 1.00 0.54 C ATOM 225 C THR A 14 4.014 -8.688 -3.440 1.00 0.55 C ATOM 226 O THR A 14 3.923 -9.008 -4.624 1.00 0.72 O ATOM 227 CB THR A 14 4.417 -10.823 -2.387 1.00 0.67 C ATOM 228 OG1 THR A 14 3.934 -11.668 -1.353 1.00 1.08 O ATOM 229 CG2 THR A 14 5.894 -10.496 -2.113 1.00 1.03 C ATOM 0 H THR A 14 1.799 -10.543 -2.774 1.00 0.55 H new ATOM 0 HA THR A 14 3.734 -9.086 -1.389 1.00 0.54 H new ATOM 0 HB THR A 14 4.361 -11.286 -3.372 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.456 -12.497 -1.337 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.483 -11.412 -2.154 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.258 -9.797 -2.866 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.990 -10.047 -1.125 1.00 1.03 H new ATOM 237 N LEU A 15 4.537 -7.469 -3.216 1.00 0.50 N ATOM 238 CA LEU A 15 4.869 -6.501 -4.216 1.00 0.55 C ATOM 239 C LEU A 15 6.341 -6.279 -4.264 1.00 0.52 C ATOM 240 O LEU A 15 7.035 -5.884 -3.327 1.00 0.58 O ATOM 241 CB LEU A 15 4.158 -5.148 -4.049 1.00 0.69 C ATOM 242 CG LEU A 15 2.647 -5.282 -3.795 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.059 -3.861 -3.770 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.945 -6.178 -4.830 1.00 1.55 C ATOM 0 H LEU A 15 4.741 -7.138 -2.273 1.00 0.50 H new ATOM 0 HA LEU A 15 4.513 -6.927 -5.154 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.612 -4.607 -3.219 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.317 -4.549 -4.946 1.00 0.69 H new ATOM 0 HG LEU A 15 2.480 -5.780 -2.840 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.985 -3.915 -3.592 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.531 -3.286 -2.973 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.244 -3.374 -4.727 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.881 -6.235 -4.600 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.078 -5.756 -5.826 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.377 -7.178 -4.798 1.00 1.55 H new ATOM 256 N GLU A 16 6.930 -6.331 -5.472 1.00 0.59 N ATOM 257 CA GLU A 16 8.261 -5.967 -5.851 1.00 0.63 C ATOM 258 C GLU A 16 8.359 -4.508 -6.139 1.00 0.65 C ATOM 259 O GLU A 16 8.006 -4.003 -7.203 1.00 0.81 O ATOM 260 CB GLU A 16 8.707 -6.699 -7.127 1.00 0.76 C ATOM 261 CG GLU A 16 8.638 -8.207 -6.872 1.00 1.41 C ATOM 262 CD GLU A 16 9.154 -9.023 -8.049 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.511 -9.093 -9.130 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.255 -9.620 -7.916 1.00 1.92 O ATOM 0 H GLU A 16 6.406 -6.670 -6.279 1.00 0.59 H new ATOM 0 HA GLU A 16 8.898 -6.242 -5.010 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.064 -6.427 -7.964 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.722 -6.407 -7.396 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.221 -8.449 -5.983 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.606 -8.490 -6.663 1.00 1.41 H new ATOM 271 N VAL A 17 8.892 -3.760 -5.157 1.00 0.61 N ATOM 272 CA VAL A 17 9.028 -2.343 -5.290 1.00 0.63 C ATOM 273 C VAL A 17 10.470 -1.968 -5.323 1.00 0.65 C ATOM 274 O VAL A 17 11.321 -2.809 -5.036 1.00 0.76 O ATOM 275 CB VAL A 17 8.388 -1.602 -4.153 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.853 -1.684 -4.208 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.793 -2.080 -2.749 1.00 0.92 C ATOM 0 H VAL A 17 9.229 -4.136 -4.271 1.00 0.61 H new ATOM 0 HA VAL A 17 8.528 -2.068 -6.219 1.00 0.63 H new ATOM 0 HB VAL A 17 8.753 -0.585 -4.295 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.429 -1.135 -3.367 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.499 -1.248 -5.142 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.542 -2.727 -4.154 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.277 -1.482 -1.998 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.520 -3.128 -2.629 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.870 -1.969 -2.624 1.00 0.92 H new ATOM 287 N GLU A 18 10.759 -0.731 -5.767 1.00 0.68 N ATOM 288 CA GLU A 18 11.951 0.022 -5.526 1.00 0.74 C ATOM 289 C GLU A 18 11.578 1.004 -4.469 1.00 0.71 C ATOM 290 O GLU A 18 10.381 1.241 -4.306 1.00 0.74 O ATOM 291 CB GLU A 18 12.412 0.666 -6.845 1.00 0.88 C ATOM 292 CG GLU A 18 12.634 -0.306 -8.005 1.00 1.16 C ATOM 293 CD GLU A 18 12.785 0.483 -9.297 1.00 1.71 C ATOM 294 OE1 GLU A 18 11.809 1.100 -9.802 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.924 0.595 -9.824 1.00 2.33 O ATOM 0 H GLU A 18 10.098 -0.214 -6.346 1.00 0.68 H new ATOM 0 HA GLU A 18 12.798 -0.573 -5.184 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.670 1.404 -7.148 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.341 1.205 -6.662 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.525 -0.907 -7.826 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.794 -0.996 -8.083 1.00 1.16 H new ATOM 302 N PRO A 19 12.461 1.620 -3.741 1.00 0.74 N ATOM 303 CA PRO A 19 12.064 2.553 -2.727 1.00 0.74 C ATOM 304 C PRO A 19 11.684 3.822 -3.409 1.00 0.70 C ATOM 305 O PRO A 19 11.204 4.758 -2.771 1.00 0.74 O ATOM 306 CB PRO A 19 13.250 2.735 -1.782 1.00 0.86 C ATOM 307 CG PRO A 19 14.101 1.519 -2.180 1.00 0.95 C ATOM 308 CD PRO A 19 13.901 1.425 -3.701 1.00 0.82 C ATOM 0 HA PRO A 19 11.210 2.210 -2.143 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.771 3.679 -1.945 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.954 2.711 -0.733 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.150 1.661 -1.921 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.768 0.613 -1.674 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.447 2.193 -4.248 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.209 0.463 -4.110 1.00 0.82 H new ATOM 316 N SER A 20 11.928 3.903 -4.730 1.00 0.70 N ATOM 317 CA SER A 20 11.588 5.005 -5.575 1.00 0.74 C ATOM 318 C SER A 20 10.149 4.985 -5.959 1.00 0.71 C ATOM 319 O SER A 20 9.658 6.042 -6.353 1.00 0.80 O ATOM 320 CB SER A 20 12.529 5.066 -6.790 1.00 0.89 C ATOM 321 OG SER A 20 13.883 4.974 -6.371 1.00 1.45 O ATOM 0 H SER A 20 12.392 3.150 -5.239 1.00 0.70 H new ATOM 0 HA SER A 20 11.732 5.926 -5.010 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.298 4.253 -7.478 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.372 5.998 -7.333 1.00 0.89 H new ATOM 0 HG SER A 20 14.471 5.012 -7.154 1.00 1.45 H new ATOM 327 N ASP A 21 9.424 3.867 -5.771 1.00 0.70 N ATOM 328 CA ASP A 21 8.039 3.766 -6.115 1.00 0.73 C ATOM 329 C ASP A 21 7.322 4.702 -5.205 1.00 0.64 C ATOM 330 O ASP A 21 7.616 4.903 -4.027 1.00 0.66 O ATOM 331 CB ASP A 21 7.657 2.296 -5.875 1.00 0.87 C ATOM 332 CG ASP A 21 8.033 1.306 -6.967 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.567 1.791 -8.000 1.00 1.69 O ATOM 334 OD2 ASP A 21 7.707 0.088 -6.984 1.00 1.50 O ATOM 0 H ASP A 21 9.810 3.012 -5.370 1.00 0.70 H new ATOM 0 HA ASP A 21 7.796 4.029 -7.145 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.124 1.971 -4.945 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.579 2.245 -5.726 1.00 0.87 H new ATOM 339 N THR A 22 6.268 5.306 -5.782 1.00 0.63 N ATOM 340 CA THR A 22 5.438 6.185 -5.019 1.00 0.58 C ATOM 341 C THR A 22 4.310 5.480 -4.345 1.00 0.53 C ATOM 342 O THR A 22 3.854 4.448 -4.831 1.00 0.58 O ATOM 343 CB THR A 22 4.813 7.345 -5.735 1.00 0.63 C ATOM 344 OG1 THR A 22 4.195 6.924 -6.943 1.00 0.70 O ATOM 345 CG2 THR A 22 5.903 8.287 -6.274 1.00 0.75 C ATOM 0 H THR A 22 5.994 5.190 -6.758 1.00 0.63 H new ATOM 0 HA THR A 22 6.178 6.577 -4.321 1.00 0.58 H new ATOM 0 HB THR A 22 4.129 7.798 -5.018 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.793 7.697 -7.391 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.436 9.125 -6.792 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.503 8.662 -5.445 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.543 7.743 -6.968 1.00 0.75 H new ATOM 353 N ILE A 23 3.664 5.970 -3.271 1.00 0.51 N ATOM 354 CA ILE A 23 2.456 5.418 -2.741 1.00 0.48 C ATOM 355 C ILE A 23 1.344 5.260 -3.721 1.00 0.48 C ATOM 356 O ILE A 23 0.626 4.263 -3.784 1.00 0.51 O ATOM 357 CB ILE A 23 2.071 6.014 -1.419 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.962 5.481 -0.285 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.654 5.550 -1.043 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.305 6.200 -0.166 1.00 0.73 C ATOM 0 H ILE A 23 3.997 6.783 -2.752 1.00 0.51 H new ATOM 0 HA ILE A 23 2.698 4.379 -2.516 1.00 0.48 H new ATOM 0 HB ILE A 23 2.159 7.095 -1.523 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.426 5.574 0.660 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.142 4.418 -0.446 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.373 5.982 -0.083 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.051 5.876 -1.808 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.634 4.463 -0.971 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.877 5.769 0.655 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.862 6.086 -1.096 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.135 7.259 0.027 1.00 0.73 H new ATOM 372 N GLU A 24 1.159 6.306 -4.544 1.00 0.50 N ATOM 373 CA GLU A 24 0.378 6.336 -5.742 1.00 0.53 C ATOM 374 C GLU A 24 0.503 5.127 -6.604 1.00 0.50 C ATOM 375 O GLU A 24 -0.472 4.452 -6.931 1.00 0.55 O ATOM 376 CB GLU A 24 0.583 7.691 -6.441 1.00 0.64 C ATOM 377 CG GLU A 24 -0.422 7.948 -7.567 1.00 0.95 C ATOM 378 CD GLU A 24 -1.787 8.378 -7.049 1.00 1.05 C ATOM 379 OE1 GLU A 24 -2.239 7.745 -6.058 1.00 1.62 O ATOM 380 OE2 GLU A 24 -2.423 9.307 -7.616 1.00 1.56 O ATOM 0 H GLU A 24 1.594 7.209 -4.354 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.676 6.269 -5.472 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.503 8.489 -5.703 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.593 7.733 -6.848 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.030 8.720 -8.229 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.533 7.042 -8.163 1.00 0.95 H new ATOM 387 N ASN A 25 1.711 4.793 -7.093 1.00 0.51 N ATOM 388 CA ASN A 25 1.961 3.717 -8.000 1.00 0.52 C ATOM 389 C ASN A 25 1.884 2.304 -7.531 1.00 0.47 C ATOM 390 O ASN A 25 1.584 1.366 -8.268 1.00 0.53 O ATOM 391 CB ASN A 25 3.287 3.899 -8.757 1.00 0.64 C ATOM 392 CG ASN A 25 3.022 5.022 -9.749 1.00 1.23 C ATOM 393 OD1 ASN A 25 1.936 5.585 -9.879 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.017 5.275 -10.642 1.00 1.57 N ATOM 0 H ASN A 25 2.558 5.302 -6.841 1.00 0.51 H new ATOM 0 HA ASN A 25 1.080 3.823 -8.633 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.098 4.157 -8.076 1.00 0.64 H new ATOM 0 HB3 ASN A 25 3.579 2.982 -9.268 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.859 5.927 -11.411 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.921 4.813 -10.543 1.00 1.57 H new ATOM 401 N VAL A 26 2.084 2.099 -6.217 1.00 0.45 N ATOM 402 CA VAL A 26 1.827 0.864 -5.544 1.00 0.44 C ATOM 403 C VAL A 26 0.399 0.446 -5.610 1.00 0.40 C ATOM 404 O VAL A 26 0.164 -0.757 -5.720 1.00 0.44 O ATOM 405 CB VAL A 26 2.185 1.028 -4.097 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.731 -0.072 -3.123 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.715 1.147 -3.993 1.00 0.62 C ATOM 0 H VAL A 26 2.440 2.826 -5.597 1.00 0.45 H new ATOM 0 HA VAL A 26 2.424 0.099 -6.041 1.00 0.44 H new ATOM 0 HB VAL A 26 1.637 1.917 -3.783 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.058 0.178 -2.114 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.644 -0.150 -3.143 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.168 -1.025 -3.421 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.000 1.267 -2.948 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.178 0.246 -4.394 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.052 2.013 -4.563 1.00 0.62 H new ATOM 417 N LYS A 27 -0.542 1.407 -5.636 1.00 0.40 N ATOM 418 CA LYS A 27 -1.939 1.125 -5.749 1.00 0.41 C ATOM 419 C LYS A 27 -2.235 0.392 -7.012 1.00 0.38 C ATOM 420 O LYS A 27 -3.153 -0.426 -6.996 1.00 0.42 O ATOM 421 CB LYS A 27 -2.811 2.390 -5.674 1.00 0.51 C ATOM 422 CG LYS A 27 -2.470 3.242 -4.450 1.00 0.76 C ATOM 423 CD LYS A 27 -3.146 4.614 -4.409 1.00 0.82 C ATOM 424 CE LYS A 27 -2.547 5.610 -3.415 1.00 1.22 C ATOM 425 NZ LYS A 27 -2.941 7.002 -3.733 1.00 1.11 N ATOM 0 H LYS A 27 -0.327 2.402 -5.577 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.190 0.498 -4.894 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.672 2.982 -6.579 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.863 2.105 -5.637 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.748 2.690 -3.552 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.390 3.385 -4.415 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.103 5.051 -5.406 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.200 4.474 -4.167 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.875 5.360 -2.406 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.460 5.527 -3.426 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -2.693 7.624 -2.937 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -2.440 7.318 -4.588 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.967 7.043 -3.898 1.00 1.11 H new ATOM 439 N ALA A 28 -1.619 0.839 -8.121 1.00 0.39 N ATOM 440 CA ALA A 28 -1.752 0.231 -9.409 1.00 0.39 C ATOM 441 C ALA A 28 -1.040 -1.079 -9.404 1.00 0.36 C ATOM 442 O ALA A 28 -1.332 -1.930 -10.242 1.00 0.42 O ATOM 443 CB ALA A 28 -1.358 1.212 -10.525 1.00 0.51 C ATOM 0 H ALA A 28 -1.006 1.654 -8.121 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.793 -0.001 -9.633 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -1.468 0.724 -11.494 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -2.005 2.088 -10.484 1.00 0.51 H new ATOM 0 HB3 ALA A 28 -0.321 1.520 -10.390 1.00 0.51 H new ATOM 449 N LYS A 29 0.002 -1.319 -8.589 1.00 0.39 N ATOM 450 CA LYS A 29 0.606 -2.611 -8.478 1.00 0.43 C ATOM 451 C LYS A 29 -0.342 -3.583 -7.864 1.00 0.44 C ATOM 452 O LYS A 29 -0.379 -4.748 -8.255 1.00 0.54 O ATOM 453 CB LYS A 29 1.980 -2.671 -7.790 1.00 0.54 C ATOM 454 CG LYS A 29 3.079 -2.001 -8.617 1.00 0.65 C ATOM 455 CD LYS A 29 4.533 -2.160 -8.167 1.00 1.08 C ATOM 456 CE LYS A 29 5.424 -1.377 -9.131 1.00 1.24 C ATOM 457 NZ LYS A 29 6.854 -1.671 -8.885 1.00 1.44 N ATOM 0 H LYS A 29 0.432 -0.607 -7.999 1.00 0.39 H new ATOM 0 HA LYS A 29 0.823 -2.890 -9.509 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.916 -2.186 -6.816 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.248 -3.712 -7.611 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.004 -2.380 -9.636 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.859 -0.934 -8.657 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.658 -1.790 -7.149 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.815 -3.213 -8.160 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.168 -1.633 -10.159 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.243 -0.309 -9.014 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.326 -1.881 -9.788 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 7.307 -0.846 -8.442 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.936 -2.492 -8.252 1.00 1.44 H new ATOM 471 N ILE A 30 -1.258 -3.163 -6.972 1.00 0.41 N ATOM 472 CA ILE A 30 -2.378 -3.858 -6.417 1.00 0.44 C ATOM 473 C ILE A 30 -3.374 -4.142 -7.487 1.00 0.45 C ATOM 474 O ILE A 30 -4.028 -5.184 -7.497 1.00 0.56 O ATOM 475 CB ILE A 30 -3.003 -3.193 -5.227 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.983 -3.257 -4.076 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.340 -3.860 -4.862 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.153 -2.181 -3.003 1.00 1.32 C ATOM 0 H ILE A 30 -1.202 -2.217 -6.596 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.993 -4.797 -6.019 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.241 -2.152 -5.444 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.053 -4.236 -3.602 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.980 -3.177 -4.494 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.772 -3.359 -3.996 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.027 -3.784 -5.705 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.170 -4.910 -4.626 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.389 -2.308 -2.236 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.050 -1.195 -3.457 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.141 -2.271 -2.551 1.00 1.32 H new ATOM 490 N GLN A 31 -3.513 -3.299 -8.525 1.00 0.41 N ATOM 491 CA GLN A 31 -4.343 -3.437 -9.681 1.00 0.48 C ATOM 492 C GLN A 31 -3.965 -4.494 -10.660 1.00 0.52 C ATOM 493 O GLN A 31 -4.829 -5.061 -11.327 1.00 0.66 O ATOM 494 CB GLN A 31 -4.713 -2.084 -10.310 1.00 0.52 C ATOM 495 CG GLN A 31 -5.803 -2.147 -11.381 1.00 0.70 C ATOM 496 CD GLN A 31 -6.116 -0.764 -11.934 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.252 0.060 -12.230 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.426 -0.413 -12.050 1.00 1.43 N ATOM 0 H GLN A 31 -2.985 -2.427 -8.555 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.267 -3.853 -9.279 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.040 -1.410 -9.519 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.817 -1.647 -10.750 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.482 -2.801 -12.192 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.707 -2.585 -10.958 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.157 -1.083 -11.809 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.677 0.520 -12.378 1.00 1.43 H new ATOM 507 N ASP A 32 -2.666 -4.784 -10.855 1.00 0.50 N ATOM 508 CA ASP A 32 -2.122 -5.894 -11.573 1.00 0.60 C ATOM 509 C ASP A 32 -2.383 -7.192 -10.886 1.00 0.65 C ATOM 510 O ASP A 32 -2.645 -8.219 -11.512 1.00 0.81 O ATOM 511 CB ASP A 32 -0.650 -5.810 -12.012 1.00 0.67 C ATOM 512 CG ASP A 32 -0.329 -4.808 -13.112 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.104 -3.861 -13.414 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.811 -4.977 -13.621 1.00 1.55 O ATOM 0 H ASP A 32 -1.932 -4.186 -10.475 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.677 -5.840 -12.510 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.046 -5.564 -11.138 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.336 -6.798 -12.348 1.00 0.67 H new ATOM 519 N LYS A 33 -2.328 -7.159 -9.544 1.00 0.62 N ATOM 520 CA LYS A 33 -2.515 -8.291 -8.691 1.00 0.73 C ATOM 521 C LYS A 33 -3.958 -8.647 -8.585 1.00 0.69 C ATOM 522 O LYS A 33 -4.472 -9.493 -9.314 1.00 0.83 O ATOM 523 CB LYS A 33 -1.814 -7.938 -7.368 1.00 0.85 C ATOM 524 CG LYS A 33 -0.286 -7.877 -7.419 1.00 1.31 C ATOM 525 CD LYS A 33 0.490 -9.143 -7.786 1.00 1.71 C ATOM 526 CE LYS A 33 2.000 -8.952 -7.630 1.00 2.26 C ATOM 527 NZ LYS A 33 2.854 -10.032 -8.170 1.00 2.62 N ATOM 0 H LYS A 33 -2.144 -6.299 -9.027 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.069 -9.205 -9.082 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.186 -6.971 -7.028 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.104 -8.673 -6.617 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.010 -7.102 -8.134 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.064 -7.547 -6.441 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.161 -9.967 -7.153 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.264 -9.422 -8.815 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.279 -8.018 -8.118 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.223 -8.837 -6.569 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.854 -9.797 -8.009 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.627 -10.927 -7.690 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.682 -10.133 -9.191 1.00 2.62 H new ATOM 541 N GLU A 34 -4.701 -7.869 -7.777 1.00 0.63 N ATOM 542 CA GLU A 34 -6.010 -8.003 -7.219 1.00 0.67 C ATOM 543 C GLU A 34 -7.110 -7.478 -8.076 1.00 0.69 C ATOM 544 O GLU A 34 -7.820 -8.363 -8.552 1.00 0.95 O ATOM 545 CB GLU A 34 -5.997 -7.274 -5.864 1.00 0.73 C ATOM 546 CG GLU A 34 -5.192 -7.892 -4.719 1.00 0.83 C ATOM 547 CD GLU A 34 -5.463 -9.358 -4.416 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.516 -9.858 -3.936 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.518 -10.187 -4.508 1.00 1.37 O ATOM 0 H GLU A 34 -4.299 -6.985 -7.464 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.225 -9.067 -7.121 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.618 -6.266 -6.032 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.030 -7.174 -5.529 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.132 -7.781 -4.948 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.385 -7.315 -3.815 1.00 0.83 H new ATOM 556 N GLY A 35 -7.196 -6.157 -8.313 1.00 0.63 N ATOM 557 CA GLY A 35 -8.026 -5.563 -9.315 1.00 0.68 C ATOM 558 C GLY A 35 -8.861 -4.477 -8.728 1.00 0.76 C ATOM 559 O GLY A 35 -10.006 -4.200 -9.081 1.00 1.12 O ATOM 0 H GLY A 35 -6.661 -5.471 -7.781 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.406 -5.160 -10.116 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.668 -6.323 -9.760 1.00 0.68 H new ATOM 563 N ILE A 36 -8.392 -3.787 -7.673 1.00 0.70 N ATOM 564 CA ILE A 36 -9.032 -2.725 -6.961 1.00 0.76 C ATOM 565 C ILE A 36 -8.678 -1.425 -7.598 1.00 0.71 C ATOM 566 O ILE A 36 -7.489 -1.128 -7.696 1.00 0.73 O ATOM 567 CB ILE A 36 -8.712 -2.767 -5.497 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.982 -4.183 -4.960 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.464 -1.652 -4.752 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.431 -4.274 -3.538 1.00 1.16 C ATOM 0 H ILE A 36 -7.473 -3.996 -7.282 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.113 -2.847 -7.023 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.655 -2.566 -5.325 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.052 -4.393 -4.966 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.507 -4.928 -5.599 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.221 -1.696 -3.690 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.167 -0.683 -5.152 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.538 -1.786 -4.884 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.614 -5.272 -3.140 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.359 -4.079 -3.550 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.927 -3.536 -2.908 1.00 1.16 H new ATOM 582 N PRO A 37 -9.543 -0.545 -8.005 1.00 0.75 N ATOM 583 CA PRO A 37 -9.230 0.748 -8.540 1.00 0.79 C ATOM 584 C PRO A 37 -8.367 1.620 -7.695 1.00 0.75 C ATOM 585 O PRO A 37 -8.595 1.613 -6.486 1.00 0.75 O ATOM 586 CB PRO A 37 -10.623 1.365 -8.640 1.00 0.95 C ATOM 587 CG PRO A 37 -11.524 0.217 -9.120 1.00 1.02 C ATOM 588 CD PRO A 37 -10.932 -0.903 -8.248 1.00 0.85 C ATOM 0 HA PRO A 37 -8.651 0.656 -9.459 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.955 1.752 -7.677 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.637 2.199 -9.341 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.581 0.395 -8.922 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.428 0.020 -10.188 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.479 -0.995 -7.310 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.002 -1.866 -8.753 1.00 0.85 H new ATOM 596 N PRO A 38 -7.295 2.221 -8.118 1.00 0.81 N ATOM 597 CA PRO A 38 -6.411 2.941 -7.248 1.00 0.85 C ATOM 598 C PRO A 38 -7.001 4.088 -6.501 1.00 0.89 C ATOM 599 O PRO A 38 -6.456 4.598 -5.524 1.00 0.99 O ATOM 600 CB PRO A 38 -5.333 3.468 -8.193 1.00 1.01 C ATOM 601 CG PRO A 38 -5.220 2.374 -9.267 1.00 1.25 C ATOM 602 CD PRO A 38 -6.633 1.773 -9.334 1.00 0.98 C ATOM 0 HA PRO A 38 -6.076 2.271 -6.456 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.616 4.427 -8.627 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.386 3.619 -7.675 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.916 2.788 -10.228 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.479 1.622 -8.995 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.165 2.116 -10.221 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.596 0.685 -9.385 1.00 0.98 H new ATOM 610 N ASP A 39 -8.202 4.537 -6.910 1.00 0.96 N ATOM 611 CA ASP A 39 -9.068 5.482 -6.278 1.00 1.11 C ATOM 612 C ASP A 39 -9.672 5.127 -4.962 1.00 1.00 C ATOM 613 O ASP A 39 -10.042 5.972 -4.150 1.00 1.14 O ATOM 614 CB ASP A 39 -10.148 5.804 -7.324 1.00 1.39 C ATOM 615 CG ASP A 39 -11.094 6.948 -6.987 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.695 8.138 -6.872 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.327 6.686 -6.964 1.00 2.25 O ATOM 0 H ASP A 39 -8.607 4.197 -7.782 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.451 6.331 -5.983 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.653 6.036 -8.267 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.743 4.906 -7.489 1.00 1.39 H new ATOM 622 N GLN A 40 -9.739 3.814 -4.678 1.00 0.87 N ATOM 623 CA GLN A 40 -10.446 3.396 -3.509 1.00 0.84 C ATOM 624 C GLN A 40 -9.456 3.067 -2.443 1.00 0.67 C ATOM 625 O GLN A 40 -9.910 2.867 -1.318 1.00 0.80 O ATOM 626 CB GLN A 40 -11.364 2.236 -3.928 1.00 0.95 C ATOM 627 CG GLN A 40 -12.274 1.731 -2.806 1.00 1.32 C ATOM 628 CD GLN A 40 -13.005 0.504 -3.331 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.856 -0.176 -4.344 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.938 0.029 -2.462 1.00 2.02 N ATOM 0 H GLN A 40 -9.321 3.067 -5.234 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.083 4.171 -3.082 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.982 2.559 -4.766 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.749 1.409 -4.284 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.689 1.480 -1.921 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.984 2.504 -2.510 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.128 0.530 -1.594 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.447 -0.828 -2.679 1.00 2.02 H new ATOM 639 N GLN A 41 -8.140 3.001 -2.710 1.00 0.56 N ATOM 640 CA GLN A 41 -7.097 2.520 -1.858 1.00 0.51 C ATOM 641 C GLN A 41 -6.484 3.548 -0.972 1.00 0.49 C ATOM 642 O GLN A 41 -6.116 4.641 -1.403 1.00 0.65 O ATOM 643 CB GLN A 41 -5.951 1.889 -2.667 1.00 0.67 C ATOM 644 CG GLN A 41 -6.495 0.752 -3.534 1.00 0.69 C ATOM 645 CD GLN A 41 -5.385 0.054 -4.308 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.260 -0.057 -3.823 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.707 -0.373 -5.558 1.00 0.61 N ATOM 0 H GLN A 41 -7.773 3.315 -3.609 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.605 1.787 -1.232 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.478 2.644 -3.295 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.183 1.509 -1.993 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.010 0.028 -2.903 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.233 1.148 -4.232 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.658 -0.255 -5.908 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.998 -0.812 -6.145 1.00 0.61 H new ATOM 656 N ARG A 42 -6.311 3.223 0.322 1.00 0.47 N ATOM 657 CA ARG A 42 -5.550 4.009 1.242 1.00 0.55 C ATOM 658 C ARG A 42 -4.656 3.071 1.977 1.00 0.46 C ATOM 659 O ARG A 42 -4.959 1.920 2.286 1.00 0.52 O ATOM 660 CB ARG A 42 -6.353 4.738 2.333 1.00 0.73 C ATOM 661 CG ARG A 42 -7.099 5.991 1.869 1.00 1.04 C ATOM 662 CD ARG A 42 -7.857 6.741 2.965 1.00 1.28 C ATOM 663 NE ARG A 42 -8.429 7.976 2.358 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.700 8.440 2.539 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.564 7.858 3.421 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.021 9.572 1.848 1.00 2.78 N ATOM 0 H ARG A 42 -6.714 2.385 0.741 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.059 4.772 0.638 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.076 4.041 2.756 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.672 5.018 3.137 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.382 6.674 1.413 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.806 5.706 1.090 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.649 6.116 3.378 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.188 6.994 3.788 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.816 8.523 1.753 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.266 7.051 3.969 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.507 8.230 3.532 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.328 10.015 1.244 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.954 9.975 1.935 1.00 2.78 H new ATOM 680 N LEU A 43 -3.440 3.546 2.307 1.00 0.46 N ATOM 681 CA LEU A 43 -2.487 2.716 2.976 1.00 0.42 C ATOM 682 C LEU A 43 -2.012 3.247 4.285 1.00 0.43 C ATOM 683 O LEU A 43 -1.943 4.456 4.505 1.00 0.55 O ATOM 684 CB LEU A 43 -1.296 2.346 2.076 1.00 0.55 C ATOM 685 CG LEU A 43 -1.718 1.462 0.889 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.695 1.496 -0.258 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.930 -0.001 1.316 1.00 1.12 C ATOM 0 H LEU A 43 -3.120 4.495 2.113 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.044 1.807 3.204 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.829 3.257 1.701 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.544 1.823 2.667 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.660 1.878 0.533 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.039 0.857 -1.071 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.589 2.518 -0.621 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.269 1.137 0.103 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.227 -0.593 0.450 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.002 -0.398 1.726 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.712 -0.049 2.074 1.00 1.12 H new ATOM 699 N ILE A 44 -1.765 2.403 5.302 1.00 0.42 N ATOM 700 CA ILE A 44 -1.315 2.669 6.632 1.00 0.46 C ATOM 701 C ILE A 44 -0.009 1.985 6.845 1.00 0.42 C ATOM 702 O ILE A 44 0.053 0.803 6.510 1.00 0.53 O ATOM 703 CB ILE A 44 -2.233 2.240 7.739 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.661 2.745 7.471 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.752 2.813 9.082 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.745 1.896 8.134 1.00 1.27 C ATOM 0 H ILE A 44 -1.901 1.401 5.168 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.257 3.756 6.690 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.229 1.151 7.781 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.747 3.772 7.827 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.834 2.765 6.395 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.427 2.494 9.876 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -0.746 2.450 9.293 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.741 3.902 9.030 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.726 2.312 7.902 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.686 0.874 7.760 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.598 1.896 9.214 1.00 1.27 H new ATOM 718 N PHE A 45 1.031 2.679 7.342 1.00 0.42 N ATOM 719 CA PHE A 45 2.256 2.129 7.832 1.00 0.46 C ATOM 720 C PHE A 45 2.566 2.701 9.173 1.00 0.68 C ATOM 721 O PHE A 45 2.487 3.917 9.336 1.00 1.50 O ATOM 722 CB PHE A 45 3.402 2.185 6.807 1.00 0.56 C ATOM 723 CG PHE A 45 4.793 2.203 7.341 1.00 0.64 C ATOM 724 CD1 PHE A 45 5.399 0.988 7.560 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.441 3.401 7.522 1.00 1.08 C ATOM 726 CE1 PHE A 45 6.690 0.939 8.034 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.729 3.324 7.997 1.00 1.20 C ATOM 728 CZ PHE A 45 7.340 2.125 8.280 1.00 1.02 C ATOM 0 H PHE A 45 1.013 3.697 7.405 1.00 0.42 H new ATOM 0 HA PHE A 45 2.128 1.056 7.978 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.305 1.324 6.145 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.264 3.076 6.194 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.862 0.073 7.360 1.00 1.19 H new ATOM 0 HD2 PHE A 45 4.967 4.347 7.304 1.00 1.08 H new ATOM 0 HE1 PHE A 45 7.180 -0.007 8.208 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.281 4.239 8.154 1.00 1.20 H new ATOM 0 HZ PHE A 45 8.336 2.115 8.698 1.00 1.02 H new ATOM 738 N ALA A 46 2.813 1.812 10.152 1.00 0.81 N ATOM 739 CA ALA A 46 3.101 2.105 11.522 1.00 0.96 C ATOM 740 C ALA A 46 2.109 2.932 12.265 1.00 0.97 C ATOM 741 O ALA A 46 2.429 3.586 13.256 1.00 1.21 O ATOM 742 CB ALA A 46 4.556 2.585 11.661 1.00 1.20 C ATOM 0 H ALA A 46 2.811 0.809 9.969 1.00 0.81 H new ATOM 0 HA ALA A 46 2.989 1.158 12.050 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.768 2.806 12.707 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.232 1.804 11.311 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.701 3.485 11.063 1.00 1.20 H new ATOM 748 N GLY A 47 0.894 3.146 11.729 1.00 0.99 N ATOM 749 CA GLY A 47 -0.096 4.012 12.290 1.00 1.10 C ATOM 750 C GLY A 47 -0.392 5.268 11.544 1.00 1.03 C ATOM 751 O GLY A 47 -1.309 6.007 11.898 1.00 1.30 O ATOM 0 H GLY A 47 0.588 2.695 10.866 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.024 3.448 12.388 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.221 4.282 13.297 1.00 1.10 H new ATOM 755 N LYS A 48 0.279 5.503 10.403 1.00 0.98 N ATOM 756 CA LYS A 48 0.091 6.661 9.585 1.00 1.05 C ATOM 757 C LYS A 48 -0.474 6.382 8.234 1.00 0.84 C ATOM 758 O LYS A 48 -0.096 5.460 7.512 1.00 0.81 O ATOM 759 CB LYS A 48 1.263 7.652 9.505 1.00 1.42 C ATOM 760 CG LYS A 48 1.883 7.866 10.888 1.00 1.61 C ATOM 761 CD LYS A 48 2.858 9.044 10.874 1.00 1.87 C ATOM 762 CE LYS A 48 3.669 9.150 12.167 1.00 2.22 C ATOM 763 NZ LYS A 48 4.589 10.306 12.088 1.00 2.55 N ATOM 0 H LYS A 48 0.981 4.861 10.035 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.674 7.184 10.159 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.019 7.275 8.816 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.914 8.604 9.105 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.096 8.049 11.619 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.404 6.961 11.201 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.539 8.937 10.030 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.302 9.969 10.721 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.999 9.264 13.019 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.236 8.233 12.328 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.138 10.374 12.969 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.238 10.179 11.285 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.039 11.179 11.955 1.00 2.55 H new ATOM 777 N GLN A 49 -1.428 7.245 7.843 1.00 0.84 N ATOM 778 CA GLN A 49 -1.922 7.112 6.507 1.00 0.80 C ATOM 779 C GLN A 49 -1.022 7.888 5.608 1.00 0.72 C ATOM 780 O GLN A 49 -0.635 8.995 5.981 1.00 0.83 O ATOM 781 CB GLN A 49 -3.341 7.700 6.445 1.00 1.03 C ATOM 782 CG GLN A 49 -4.408 6.760 7.009 1.00 1.67 C ATOM 783 CD GLN A 49 -5.721 7.519 7.130 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.312 7.722 8.191 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.296 8.017 6.003 1.00 2.48 N ATOM 0 H GLN A 49 -1.837 7.989 8.408 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.950 6.066 6.202 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.363 8.638 6.999 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.585 7.936 5.409 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.531 5.896 6.357 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.100 6.382 7.984 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.848 7.877 5.097 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.175 8.530 6.063 1.00 2.48 H new ATOM 794 N LEU A 50 -0.701 7.324 4.431 1.00 0.69 N ATOM 795 CA LEU A 50 0.268 7.805 3.496 1.00 0.66 C ATOM 796 C LEU A 50 -0.203 8.771 2.466 1.00 0.72 C ATOM 797 O LEU A 50 -1.247 8.562 1.849 1.00 0.90 O ATOM 798 CB LEU A 50 0.990 6.584 2.901 1.00 0.65 C ATOM 799 CG LEU A 50 1.546 5.563 3.908 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.944 4.281 3.159 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.709 6.079 4.773 1.00 0.74 C ATOM 0 H LEU A 50 -1.153 6.468 4.110 1.00 0.69 H new ATOM 0 HA LEU A 50 0.958 8.438 4.055 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.297 6.067 2.237 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.815 6.941 2.285 1.00 0.65 H new ATOM 0 HG LEU A 50 0.745 5.360 4.619 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.339 3.553 3.868 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.069 3.864 2.661 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.707 4.515 2.417 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.035 5.291 5.452 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.539 6.370 4.130 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.378 6.942 5.351 1.00 0.74 H new ATOM 813 N GLU A 51 0.631 9.795 2.212 1.00 0.70 N ATOM 814 CA GLU A 51 0.406 10.671 1.104 1.00 0.76 C ATOM 815 C GLU A 51 0.712 10.047 -0.214 1.00 0.77 C ATOM 816 O GLU A 51 1.686 9.313 -0.365 1.00 1.23 O ATOM 817 CB GLU A 51 1.131 12.022 1.226 1.00 0.88 C ATOM 818 CG GLU A 51 0.843 12.680 2.578 1.00 1.35 C ATOM 819 CD GLU A 51 -0.540 13.307 2.486 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.731 14.244 1.665 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.349 12.881 3.352 1.00 1.89 O ATOM 0 H GLU A 51 1.456 10.016 2.770 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.665 10.867 1.143 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.205 11.874 1.111 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.812 12.684 0.420 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.879 11.943 3.380 1.00 1.35 H new ATOM 0 HG3 GLU A 51 1.594 13.436 2.806 1.00 1.35 H new ATOM 828 N ASP A 52 -0.010 10.418 -1.287 1.00 0.66 N ATOM 829 CA ASP A 52 0.018 9.738 -2.544 1.00 0.65 C ATOM 830 C ASP A 52 1.310 9.945 -3.254 1.00 0.60 C ATOM 831 O ASP A 52 1.911 8.950 -3.659 1.00 0.62 O ATOM 832 CB ASP A 52 -1.249 9.998 -3.376 1.00 0.81 C ATOM 833 CG ASP A 52 -2.558 10.135 -2.612 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.893 9.103 -1.972 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.240 11.195 -2.632 1.00 1.56 O ATOM 0 H ASP A 52 -0.637 11.222 -1.278 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.015 8.665 -2.354 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.095 10.910 -3.952 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.358 9.183 -4.092 1.00 0.81 H new ATOM 840 N GLY A 53 1.672 11.228 -3.427 1.00 0.68 N ATOM 841 CA GLY A 53 2.954 11.605 -3.939 1.00 0.73 C ATOM 842 C GLY A 53 4.066 11.597 -2.946 1.00 0.72 C ATOM 843 O GLY A 53 4.865 12.531 -2.902 1.00 0.97 O ATOM 0 H GLY A 53 1.065 12.018 -3.208 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.213 10.931 -4.755 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.877 12.605 -4.365 1.00 0.73 H new ATOM 847 N ARG A 54 4.114 10.535 -2.123 1.00 0.64 N ATOM 848 CA ARG A 54 5.345 10.325 -1.427 1.00 0.63 C ATOM 849 C ARG A 54 5.835 9.010 -1.927 1.00 0.59 C ATOM 850 O ARG A 54 5.134 8.130 -2.424 1.00 0.62 O ATOM 851 CB ARG A 54 5.060 10.306 0.084 1.00 0.69 C ATOM 852 CG ARG A 54 4.898 11.666 0.767 1.00 0.82 C ATOM 853 CD ARG A 54 6.126 12.565 0.611 1.00 1.18 C ATOM 854 NE ARG A 54 6.138 13.655 1.626 1.00 1.50 N ATOM 855 CZ ARG A 54 6.766 14.839 1.368 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.064 15.361 0.143 1.00 2.48 N ATOM 857 NH2 ARG A 54 7.169 15.655 2.387 1.00 2.49 N ATOM 0 H ARG A 54 3.364 9.867 -1.946 1.00 0.64 H new ATOM 0 HA ARG A 54 6.091 11.102 -1.593 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.150 9.730 0.252 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.872 9.771 0.577 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.028 12.174 0.351 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.700 11.512 1.828 1.00 0.82 H new ATOM 0 HD2 ARG A 54 7.031 11.966 0.708 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.136 12.998 -0.389 1.00 1.18 H new ATOM 0 HE ARG A 54 5.672 13.515 2.523 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.812 14.851 -0.704 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.539 16.261 0.074 1.00 2.48 H new ATOM 0 HH21 ARG A 54 7.002 15.382 3.355 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.637 16.537 2.179 1.00 2.49 H new ATOM 871 N THR A 55 7.127 8.784 -1.626 1.00 0.63 N ATOM 872 CA THR A 55 7.776 7.533 -1.870 1.00 0.61 C ATOM 873 C THR A 55 7.781 6.696 -0.638 1.00 0.59 C ATOM 874 O THR A 55 7.520 7.143 0.478 1.00 0.64 O ATOM 875 CB THR A 55 9.184 7.558 -2.387 1.00 0.68 C ATOM 876 OG1 THR A 55 10.234 7.994 -1.537 1.00 0.75 O ATOM 877 CG2 THR A 55 9.251 8.348 -3.706 1.00 0.76 C ATOM 0 H THR A 55 7.734 9.487 -1.204 1.00 0.63 H new ATOM 0 HA THR A 55 7.171 7.125 -2.680 1.00 0.61 H new ATOM 0 HB THR A 55 9.390 6.494 -2.501 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.181 8.966 -1.424 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.278 8.359 -4.072 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.607 7.874 -4.447 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.916 9.371 -3.535 1.00 0.76 H new ATOM 885 N LEU A 56 8.047 5.388 -0.802 1.00 0.58 N ATOM 886 CA LEU A 56 8.295 4.418 0.220 1.00 0.59 C ATOM 887 C LEU A 56 9.445 4.821 1.076 1.00 0.64 C ATOM 888 O LEU A 56 9.313 4.698 2.292 1.00 0.70 O ATOM 889 CB LEU A 56 8.732 3.108 -0.457 1.00 0.60 C ATOM 890 CG LEU A 56 7.608 2.501 -1.313 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.121 1.279 -2.092 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.373 2.131 -0.474 1.00 1.03 C ATOM 0 H LEU A 56 8.092 4.974 -1.733 1.00 0.58 H new ATOM 0 HA LEU A 56 7.388 4.318 0.816 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.604 3.297 -1.084 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.036 2.390 0.305 1.00 0.60 H new ATOM 0 HG LEU A 56 7.295 3.266 -2.024 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.311 0.864 -2.692 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.939 1.582 -2.746 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.478 0.524 -1.391 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.607 1.706 -1.122 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.654 1.399 0.284 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.982 3.025 0.012 1.00 1.03 H new ATOM 904 N SER A 57 10.494 5.366 0.433 1.00 0.68 N ATOM 905 CA SER A 57 11.684 5.791 1.102 1.00 0.75 C ATOM 906 C SER A 57 11.486 6.926 2.048 1.00 0.76 C ATOM 907 O SER A 57 11.988 6.960 3.171 1.00 0.84 O ATOM 908 CB SER A 57 12.874 6.155 0.198 1.00 0.84 C ATOM 909 OG SER A 57 14.080 6.570 0.824 1.00 1.19 O ATOM 0 H SER A 57 10.515 5.515 -0.576 1.00 0.68 H new ATOM 0 HA SER A 57 11.933 4.881 1.649 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.100 5.288 -0.423 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.553 6.952 -0.473 1.00 0.84 H new ATOM 0 HG SER A 57 14.752 6.769 0.139 1.00 1.19 H new ATOM 915 N ASP A 58 10.679 7.946 1.706 1.00 0.75 N ATOM 916 CA ASP A 58 10.295 9.095 2.465 1.00 0.78 C ATOM 917 C ASP A 58 9.656 8.911 3.798 1.00 0.77 C ATOM 918 O ASP A 58 9.996 9.534 4.802 1.00 0.86 O ATOM 919 CB ASP A 58 9.253 9.948 1.721 1.00 0.83 C ATOM 920 CG ASP A 58 9.862 10.447 0.418 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.924 11.123 0.380 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.232 10.187 -0.643 1.00 1.90 O ATOM 0 H ASP A 58 10.245 7.963 0.783 1.00 0.75 H new ATOM 0 HA ASP A 58 11.282 9.534 2.606 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.359 9.358 1.518 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.945 10.791 2.340 1.00 0.83 H new ATOM 927 N TYR A 59 8.764 7.904 3.816 1.00 0.72 N ATOM 928 CA TYR A 59 8.146 7.389 4.999 1.00 0.73 C ATOM 929 C TYR A 59 9.012 6.366 5.650 1.00 0.76 C ATOM 930 O TYR A 59 8.586 5.790 6.650 1.00 0.89 O ATOM 931 CB TYR A 59 6.850 6.707 4.532 1.00 0.73 C ATOM 932 CG TYR A 59 5.751 7.711 4.598 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.324 8.115 5.841 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.209 8.252 3.457 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.351 9.083 5.936 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.208 9.187 3.565 1.00 0.70 C ATOM 937 CZ TYR A 59 3.799 9.629 4.801 1.00 0.74 C ATOM 938 OH TYR A 59 2.719 10.528 4.929 1.00 0.86 O ATOM 0 H TYR A 59 8.460 7.427 2.967 1.00 0.72 H new ATOM 0 HA TYR A 59 7.970 8.188 5.719 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.962 6.331 3.515 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.621 5.850 5.165 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.748 7.677 6.733 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.566 7.945 2.485 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.019 9.416 6.908 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.740 9.577 2.674 1.00 0.70 H new ATOM 0 HH TYR A 59 2.739 11.170 4.189 1.00 0.86 H new ATOM 948 N ASN A 60 10.233 6.101 5.153 1.00 0.74 N ATOM 949 CA ASN A 60 10.986 5.030 5.728 1.00 0.79 C ATOM 950 C ASN A 60 10.511 3.620 5.683 1.00 0.75 C ATOM 951 O ASN A 60 10.628 2.823 6.613 1.00 0.86 O ATOM 952 CB ASN A 60 11.628 5.285 7.102 1.00 0.95 C ATOM 953 CG ASN A 60 12.435 6.569 6.967 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.178 7.562 7.647 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.415 6.510 6.028 1.00 1.83 N ATOM 0 H ASN A 60 10.684 6.602 4.388 1.00 0.74 H new ATOM 0 HA ASN A 60 11.727 5.086 4.930 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.866 5.385 7.875 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.269 4.452 7.392 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.998 7.327 5.847 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.568 5.649 5.504 1.00 1.83 H new ATOM 962 N ILE A 61 9.900 3.181 4.568 1.00 0.67 N ATOM 963 CA ILE A 61 9.315 1.881 4.455 1.00 0.65 C ATOM 964 C ILE A 61 10.313 0.947 3.863 1.00 0.66 C ATOM 965 O ILE A 61 10.818 1.221 2.775 1.00 0.75 O ATOM 966 CB ILE A 61 8.109 1.859 3.565 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.090 2.918 4.017 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.529 0.434 3.553 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.748 2.886 3.288 1.00 0.82 C ATOM 0 H ILE A 61 9.810 3.745 3.723 1.00 0.67 H new ATOM 0 HA ILE A 61 9.013 1.586 5.460 1.00 0.65 H new ATOM 0 HB ILE A 61 8.382 2.118 2.542 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.908 2.791 5.084 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.533 3.905 3.884 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.650 0.404 2.909 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.279 -0.261 3.176 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.246 0.148 4.566 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.102 3.671 3.680 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.909 3.047 2.222 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.274 1.916 3.441 1.00 0.82 H new ATOM 981 N GLN A 62 10.657 -0.178 4.516 1.00 0.67 N ATOM 982 CA GLN A 62 11.725 -0.999 4.036 1.00 0.70 C ATOM 983 C GLN A 62 11.203 -2.262 3.444 1.00 0.62 C ATOM 984 O GLN A 62 9.988 -2.418 3.342 1.00 0.64 O ATOM 985 CB GLN A 62 12.724 -1.265 5.176 1.00 0.85 C ATOM 986 CG GLN A 62 13.240 -0.017 5.894 1.00 1.27 C ATOM 987 CD GLN A 62 13.972 0.984 5.010 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.206 0.690 3.839 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.277 2.134 5.669 1.00 2.16 N ATOM 0 H GLN A 62 10.203 -0.516 5.365 1.00 0.67 H new ATOM 0 HA GLN A 62 12.251 -0.474 3.239 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.249 -1.916 5.910 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.576 -1.810 4.771 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.396 0.487 6.364 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.911 -0.329 6.694 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.020 2.243 6.650 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.763 2.887 5.182 1.00 2.16 H new ATOM 998 N LYS A 63 12.157 -3.152 3.117 1.00 0.64 N ATOM 999 CA LYS A 63 11.850 -4.503 2.769 1.00 0.62 C ATOM 1000 C LYS A 63 11.074 -5.228 3.814 1.00 0.59 C ATOM 1001 O LYS A 63 11.349 -5.205 5.013 1.00 0.66 O ATOM 1002 CB LYS A 63 13.077 -5.348 2.384 1.00 0.74 C ATOM 1003 CG LYS A 63 14.084 -5.608 3.508 1.00 0.89 C ATOM 1004 CD LYS A 63 15.228 -6.564 3.166 1.00 1.11 C ATOM 1005 CE LYS A 63 14.950 -8.060 2.999 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.305 -8.711 4.162 1.00 2.12 N ATOM 0 H LYS A 63 13.153 -2.931 3.094 1.00 0.64 H new ATOM 0 HA LYS A 63 11.224 -4.388 1.884 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.729 -6.308 2.004 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.596 -4.850 1.565 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.512 -4.654 3.815 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.546 -6.007 4.368 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.678 -6.212 2.238 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.982 -6.459 3.946 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.315 -8.201 2.125 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.892 -8.568 2.794 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 13.451 -9.215 3.848 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.967 -9.387 4.593 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.043 -7.989 4.863 1.00 2.12 H new ATOM 1020 N GLU A 64 10.156 -6.109 3.379 1.00 0.57 N ATOM 1021 CA GLU A 64 9.361 -7.036 4.122 1.00 0.58 C ATOM 1022 C GLU A 64 8.494 -6.476 5.197 1.00 0.56 C ATOM 1023 O GLU A 64 8.351 -7.044 6.279 1.00 0.70 O ATOM 1024 CB GLU A 64 10.167 -8.277 4.542 1.00 0.72 C ATOM 1025 CG GLU A 64 10.706 -9.038 3.329 1.00 0.96 C ATOM 1026 CD GLU A 64 11.228 -10.419 3.700 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.419 -10.525 4.096 1.00 1.69 O ATOM 1028 OE2 GLU A 64 10.585 -11.463 3.412 1.00 1.71 O ATOM 0 H GLU A 64 9.949 -6.176 2.382 1.00 0.57 H new ATOM 0 HA GLU A 64 8.608 -7.364 3.405 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.997 -7.973 5.180 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.535 -8.938 5.135 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.916 -9.138 2.585 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.507 -8.461 2.867 1.00 0.96 H new ATOM 1035 N SER A 65 8.024 -5.243 4.940 1.00 0.51 N ATOM 1036 CA SER A 65 7.267 -4.361 5.774 1.00 0.51 C ATOM 1037 C SER A 65 5.814 -4.497 5.473 1.00 0.43 C ATOM 1038 O SER A 65 5.482 -4.492 4.289 1.00 0.50 O ATOM 1039 CB SER A 65 7.676 -2.887 5.616 1.00 0.65 C ATOM 1040 OG SER A 65 7.276 -2.213 6.800 1.00 1.04 O ATOM 0 H SER A 65 8.199 -4.814 4.031 1.00 0.51 H new ATOM 0 HA SER A 65 7.476 -4.652 6.804 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.752 -2.800 5.468 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.197 -2.446 4.742 1.00 0.65 H new ATOM 0 HG SER A 65 7.244 -1.248 6.632 1.00 1.04 H new ATOM 1046 N THR A 66 4.934 -4.605 6.486 1.00 0.45 N ATOM 1047 CA THR A 66 3.526 -4.681 6.245 1.00 0.45 C ATOM 1048 C THR A 66 2.787 -3.412 5.995 1.00 0.43 C ATOM 1049 O THR A 66 2.713 -2.526 6.846 1.00 0.58 O ATOM 1050 CB THR A 66 2.880 -5.228 7.483 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.726 -6.141 8.165 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.546 -5.956 7.248 1.00 0.78 C ATOM 0 H THR A 66 5.198 -4.640 7.471 1.00 0.45 H new ATOM 0 HA THR A 66 3.463 -5.277 5.334 1.00 0.45 H new ATOM 0 HB THR A 66 2.690 -4.333 8.076 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.270 -6.473 8.966 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.155 -6.316 8.200 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.830 -5.268 6.799 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.706 -6.801 6.578 1.00 0.78 H new ATOM 1060 N LEU A 67 2.188 -3.197 4.811 1.00 0.38 N ATOM 1061 CA LEU A 67 1.370 -2.036 4.644 1.00 0.38 C ATOM 1062 C LEU A 67 -0.042 -2.499 4.761 1.00 0.37 C ATOM 1063 O LEU A 67 -0.453 -3.507 4.189 1.00 0.50 O ATOM 1064 CB LEU A 67 1.385 -1.435 3.228 1.00 0.46 C ATOM 1065 CG LEU A 67 2.737 -1.103 2.575 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.647 -0.475 1.173 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.537 -0.125 3.452 1.00 1.31 C ATOM 0 H LEU A 67 2.264 -3.803 3.994 1.00 0.38 H new ATOM 0 HA LEU A 67 1.734 -1.306 5.367 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.863 -2.130 2.570 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.797 -0.517 3.253 1.00 0.46 H new ATOM 0 HG LEU A 67 3.226 -2.072 2.477 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.651 -0.278 0.798 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.136 -1.162 0.499 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.090 0.460 1.228 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.490 0.097 2.973 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.970 0.798 3.578 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.718 -0.576 4.428 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.890 -1.700 5.432 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.228 -2.146 5.678 1.00 0.37 C ATOM 1081 C HIS A 68 -3.192 -1.466 4.767 1.00 0.35 C ATOM 1082 O HIS A 68 -3.146 -0.236 4.751 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.584 -2.033 7.169 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.542 -2.570 8.103 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.330 -1.949 8.327 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.594 -3.690 8.873 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.324 -2.777 9.186 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.409 -3.804 9.573 1.00 1.51 N ATOM 0 H HIS A 68 -0.662 -0.774 5.795 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.299 -3.208 5.442 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.761 -0.984 7.408 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.520 -2.563 7.347 1.00 0.49 H new ATOM 0 HD1 HIS A 68 0.001 -1.067 7.936 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.425 -4.377 8.928 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.339 -2.611 9.517 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.964 -2.190 3.937 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.932 -1.610 3.059 1.00 0.38 C ATOM 1098 C LEU A 69 -6.299 -1.454 3.630 1.00 0.41 C ATOM 1099 O LEU A 69 -6.883 -2.334 4.261 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.093 -2.364 1.728 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.950 -1.648 0.670 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.095 -0.572 -0.021 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.499 -2.687 -0.324 1.00 1.14 C ATOM 0 H LEU A 69 -3.914 -3.207 3.875 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.501 -0.623 2.894 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.103 -2.545 1.309 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.536 -3.339 1.932 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.804 -1.150 1.130 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.694 -0.059 -0.773 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.748 0.148 0.720 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.236 -1.042 -0.500 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.107 -2.185 -1.076 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.669 -3.199 -0.811 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.110 -3.414 0.210 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.793 -0.210 3.493 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.107 0.184 3.896 1.00 0.56 C ATOM 1117 C VAL A 70 -8.701 0.824 2.689 1.00 0.55 C ATOM 1118 O VAL A 70 -8.131 1.379 1.751 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.180 1.105 5.077 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.559 0.267 6.208 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.378 2.411 4.951 1.00 0.97 C ATOM 0 H VAL A 70 -6.254 0.553 3.084 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.647 -0.696 4.245 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.210 1.432 5.219 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.559 0.846 7.132 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.143 -0.643 6.349 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.535 0.003 5.945 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.500 3.002 5.859 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.323 2.178 4.809 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.742 2.980 4.096 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.041 0.739 2.603 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.818 1.043 1.442 1.00 0.84 C ATOM 1133 C LEU A 71 -11.713 2.211 1.675 1.00 0.85 C ATOM 1134 O LEU A 71 -12.349 2.416 2.708 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.598 -0.176 0.920 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.671 -1.312 0.454 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.492 -2.519 -0.029 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.603 -0.930 -0.585 1.00 2.78 C ATOM 0 H LEU A 71 -10.615 0.440 3.391 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.114 1.319 0.657 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.255 -0.547 1.707 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.235 0.132 0.091 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.098 -1.573 1.344 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.818 -3.311 -0.354 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.115 -2.885 0.787 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.126 -2.218 -0.863 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.010 -1.809 -0.838 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.089 -0.550 -1.483 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.952 -0.160 -0.171 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.913 3.103 0.689 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.822 4.206 0.696 1.00 1.10 C ATOM 1152 C ARG A 72 -14.268 3.923 0.473 1.00 1.35 C ATOM 1153 O ARG A 72 -14.601 2.792 0.123 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.400 5.277 -0.324 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.114 5.902 0.221 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.406 6.804 -0.794 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.101 8.090 -1.079 1.00 2.54 N ATOM 1158 CZ ARG A 72 -10.574 9.084 -1.852 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.313 8.984 -2.365 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -11.387 10.099 -2.267 1.00 3.75 N ATOM 0 H ARG A 72 -11.393 3.046 -0.187 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.746 4.542 1.730 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.232 4.835 -1.306 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.179 6.030 -0.443 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -11.349 6.483 1.112 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -10.434 5.108 0.529 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -9.403 7.023 -0.427 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.291 6.255 -1.728 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.025 8.237 -0.673 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -8.748 8.157 -2.173 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -8.935 9.737 -2.941 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.371 10.106 -1.999 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -11.010 10.850 -2.845 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.229 4.840 0.691 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.580 4.707 0.245 1.00 1.93 C ATOM 1176 C LEU A 73 -16.692 5.476 -1.026 1.00 2.13 C ATOM 1177 O LEU A 73 -15.754 6.103 -1.516 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.607 5.172 1.292 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.275 4.702 2.718 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.292 5.237 3.741 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.405 3.169 2.738 1.00 3.14 C ATOM 0 H LEU A 73 -15.057 5.708 1.198 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.814 3.655 0.084 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.662 6.261 1.279 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.593 4.800 1.014 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.278 5.058 2.977 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.026 4.885 4.737 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.283 6.327 3.727 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.289 4.879 3.484 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.176 2.797 3.737 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.423 2.887 2.470 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.708 2.735 2.021 1.00 3.14 H new ATOM 1193 N ARG A 74 -17.924 5.563 -1.560 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.154 6.267 -2.783 1.00 2.55 C ATOM 1195 C ARG A 74 -18.027 7.748 -2.665 1.00 2.58 C ATOM 1196 O ARG A 74 -17.222 8.263 -3.438 1.00 3.08 O ATOM 1197 CB ARG A 74 -19.529 5.828 -3.316 1.00 3.29 C ATOM 1198 CG ARG A 74 -19.661 4.325 -3.570 1.00 4.01 C ATOM 1199 CD ARG A 74 -18.979 3.865 -4.860 1.00 4.67 C ATOM 1200 NE ARG A 74 -19.130 2.388 -4.997 1.00 5.36 N ATOM 1201 CZ ARG A 74 -18.420 1.632 -5.883 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -17.721 2.154 -6.932 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -18.305 0.287 -5.679 1.00 6.80 N ATOM 0 H ARG A 74 -18.758 5.147 -1.146 1.00 2.32 H new ATOM 0 HA ARG A 74 -17.371 6.006 -3.495 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -20.295 6.132 -2.602 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -19.731 6.360 -4.246 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -19.232 3.783 -2.728 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -20.718 4.063 -3.613 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -19.422 4.369 -5.719 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.923 4.134 -4.843 1.00 4.67 H new ATOM 0 HE ARG A 74 -19.803 1.916 -4.393 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -17.711 3.162 -7.087 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -17.209 1.536 -7.561 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -18.748 -0.146 -4.869 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -17.776 -0.285 -6.337 1.00 6.80 H new ATOM 1217 N GLY A 75 -18.778 8.382 -1.746 1.00 2.73 N ATOM 1218 CA GLY A 75 -18.880 9.802 -1.619 1.00 3.22 C ATOM 1219 C GLY A 75 -18.861 10.158 -0.173 1.00 3.16 C ATOM 1220 O GLY A 75 -19.901 10.209 0.480 1.00 3.57 O ATOM 0 H GLY A 75 -19.340 7.880 -1.059 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -18.053 10.287 -2.138 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -19.800 10.157 -2.083 1.00 3.22 H new ATOM 1224 N GLY A 76 -17.639 10.357 0.355 1.00 3.14 N ATOM 1225 CA GLY A 76 -17.249 10.706 1.685 1.00 3.37 C ATOM 1226 C GLY A 76 -15.737 10.840 1.805 1.00 3.48 C ATOM 1227 O GLY A 76 -15.270 11.946 2.184 1.00 3.87 O ATOM 1228 OXT GLY A 76 -14.997 9.904 1.400 1.00 3.70 O ATOM 0 H GLY A 76 -16.815 10.258 -0.239 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -17.723 11.646 1.970 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -17.605 9.946 2.381 1.00 3.37 H new TER 1232 GLY A 76