USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 25 ASN : amide:sc= 0.58 K(o=0.85,f=-1.4) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 164:sc= 0.266 (180deg=-0.186) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.683 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.365 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.2 (180deg=1.89) USER MOD Single : A 2 GLN : amide:sc= 0.734 K(o=0.73,f=-0.01) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.19 (180deg=-0.0993!) 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= 0.00979 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0598 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 2.12 (180deg=1.64) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.308 K(o=0.31,f=-1.6) 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 -85:sc= 0.863 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.555 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.673 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.302 2.421 -4.821 1.00 9.67 N ATOM 2 CA MET A 1 -12.272 3.167 -3.543 1.00 10.38 C ATOM 3 C MET A 1 -10.959 3.812 -3.259 1.00 9.62 C ATOM 4 O MET A 1 -9.936 3.463 -3.846 1.00 9.62 O ATOM 5 CB MET A 1 -12.583 2.240 -2.356 1.00 13.77 C ATOM 6 CG MET A 1 -11.367 1.403 -1.954 1.00 16.29 C ATOM 7 SD MET A 1 -11.711 0.035 -0.807 1.00 17.17 S ATOM 8 CE MET A 1 -10.060 -0.697 -0.612 1.00 16.11 C ATOM 0 H1 MET A 1 -13.200 1.902 -4.899 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.217 3.088 -5.614 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.510 1.748 -4.849 1.00 9.67 H new ATOM 0 HA MET A 1 -13.030 3.942 -3.657 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.911 2.837 -1.505 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.409 1.579 -2.618 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.914 0.993 -2.857 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.628 2.061 -1.497 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.145 -1.654 -0.098 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.612 -0.851 -1.594 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.431 -0.026 -0.027 1.00 16.11 H new ATOM 20 N GLN A 2 -10.998 4.898 -2.467 1.00 9.27 N ATOM 21 CA GLN A 2 -9.849 5.726 -2.270 1.00 9.07 C ATOM 22 C GLN A 2 -9.007 5.356 -1.097 1.00 8.72 C ATOM 23 O GLN A 2 -9.504 5.198 0.016 1.00 8.22 O ATOM 24 CB GLN A 2 -10.323 7.155 -1.957 1.00 14.46 C ATOM 25 CG GLN A 2 -11.237 7.835 -2.978 1.00 17.01 C ATOM 26 CD GLN A 2 -10.436 8.467 -4.108 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.008 9.616 -4.006 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.253 7.819 -5.289 1.00 19.49 N ATOM 0 H GLN A 2 -11.829 5.204 -1.961 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.263 5.617 -3.183 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.844 7.135 -1.000 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.440 7.781 -1.826 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.933 7.104 -3.389 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.834 8.600 -2.481 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.596 6.866 -5.406 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.773 8.286 -6.058 1.00 19.49 H new ATOM 37 N ILE A 3 -7.673 5.258 -1.238 1.00 5.87 N ATOM 38 CA ILE A 3 -6.774 5.161 -0.131 1.00 5.07 C ATOM 39 C ILE A 3 -5.628 6.109 -0.219 1.00 4.01 C ATOM 40 O ILE A 3 -5.307 6.541 -1.325 1.00 4.61 O ATOM 41 CB ILE A 3 -6.217 3.774 -0.004 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.753 3.176 -1.343 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.299 2.868 0.608 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.517 2.279 -1.389 1.00 10.83 C ATOM 0 H ILE A 3 -7.208 5.246 -2.146 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.371 5.418 0.744 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.334 3.835 0.632 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.586 2.602 -1.748 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.577 4.007 -2.026 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.911 1.854 0.708 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.579 3.248 1.591 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.175 2.859 -0.040 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.343 1.951 -2.414 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.650 2.836 -1.034 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.675 1.409 -0.752 1.00 10.83 H new ATOM 56 N PHE A 4 -5.132 6.525 0.960 1.00 4.55 N ATOM 57 CA PHE A 4 -4.076 7.488 1.021 1.00 4.68 C ATOM 58 C PHE A 4 -2.791 6.768 1.241 1.00 5.30 C ATOM 59 O PHE A 4 -2.678 6.028 2.218 1.00 5.58 O ATOM 60 CB PHE A 4 -4.364 8.403 2.224 1.00 4.83 C ATOM 61 CG PHE A 4 -5.686 9.090 2.201 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.027 9.973 1.203 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.601 8.940 3.217 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.222 10.652 1.190 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.780 9.646 3.250 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.121 10.488 2.217 1.00 8.90 C ATOM 0 H PHE A 4 -5.460 6.196 1.868 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.011 8.070 0.102 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.298 7.809 3.135 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.581 9.159 2.279 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.328 10.140 0.397 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.386 8.245 4.015 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.455 11.316 0.371 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.445 9.539 4.095 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.069 11.006 2.213 1.00 8.90 H new ATOM 76 N VAL A 5 -1.795 6.956 0.357 1.00 4.44 N ATOM 77 CA VAL A 5 -0.519 6.400 0.683 1.00 3.87 C ATOM 78 C VAL A 5 0.364 7.516 1.127 1.00 4.93 C ATOM 79 O VAL A 5 0.582 8.451 0.358 1.00 6.84 O ATOM 80 CB VAL A 5 0.126 5.671 -0.458 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.464 5.059 -0.008 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.921 4.603 -0.815 1.00 9.13 C ATOM 0 H VAL A 5 -1.861 7.459 -0.528 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.667 5.659 1.469 1.00 3.87 H new ATOM 0 HB VAL A 5 0.377 6.301 -1.311 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.923 4.532 -0.845 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.131 5.852 0.331 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.288 4.359 0.809 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.557 4.000 -1.647 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.096 3.962 0.049 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.854 5.089 -1.100 1.00 9.13 H new ATOM 92 N LYS A 6 0.902 7.437 2.357 1.00 6.04 N ATOM 93 CA LYS A 6 1.612 8.434 3.097 1.00 6.12 C ATOM 94 C LYS A 6 3.078 8.170 3.076 1.00 6.57 C ATOM 95 O LYS A 6 3.592 7.278 3.750 1.00 5.76 O ATOM 96 CB LYS A 6 1.113 8.571 4.545 1.00 7.45 C ATOM 97 CG LYS A 6 -0.391 8.792 4.721 1.00 11.12 C ATOM 98 CD LYS A 6 -0.914 10.043 4.012 1.00 14.54 C ATOM 99 CE LYS A 6 -1.944 10.811 4.842 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.366 11.542 5.992 1.00 20.55 N ATOM 0 H LYS A 6 0.829 6.572 2.892 1.00 6.04 H new ATOM 0 HA LYS A 6 1.415 9.384 2.601 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.394 7.670 5.091 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.639 9.404 5.012 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.925 7.920 4.342 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.617 8.866 5.785 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.076 10.701 3.782 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.363 9.755 3.061 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.460 11.521 4.196 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.694 10.111 5.210 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.123 12.037 6.505 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.897 10.869 6.631 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.671 12.235 5.649 1.00 20.55 H new ATOM 114 N THR A 7 3.787 8.993 2.283 1.00 7.41 N ATOM 115 CA THR A 7 5.209 8.907 2.159 1.00 7.48 C ATOM 116 C THR A 7 5.969 9.330 3.368 1.00 8.75 C ATOM 117 O THR A 7 5.348 9.608 4.393 1.00 8.58 O ATOM 118 CB THR A 7 5.594 9.571 0.870 1.00 9.61 C ATOM 119 OG1 THR A 7 5.677 10.984 0.979 1.00 11.78 O ATOM 120 CG2 THR A 7 4.686 9.307 -0.343 1.00 9.17 C ATOM 0 H THR A 7 3.366 9.731 1.718 1.00 7.41 H new ATOM 0 HA THR A 7 5.511 7.861 2.107 1.00 7.48 H new ATOM 0 HB THR A 7 6.562 9.103 0.689 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.932 11.364 0.113 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.072 9.843 -1.210 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.665 8.238 -0.556 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.676 9.653 -0.123 1.00 9.17 H new ATOM 128 N LEU A 8 7.305 9.201 3.281 1.00 9.84 N ATOM 129 CA LEU A 8 8.150 9.370 4.422 1.00 14.15 C ATOM 130 C LEU A 8 8.132 10.775 4.919 1.00 17.37 C ATOM 131 O LEU A 8 8.054 10.893 6.141 1.00 17.01 O ATOM 132 CB LEU A 8 9.595 8.997 4.050 1.00 16.63 C ATOM 133 CG LEU A 8 9.801 7.475 3.964 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.989 7.235 3.018 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.161 6.820 5.308 1.00 19.31 C ATOM 0 H LEU A 8 7.801 8.979 2.418 1.00 9.84 H new ATOM 0 HA LEU A 8 7.774 8.719 5.212 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.850 9.451 3.092 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.278 9.413 4.791 1.00 16.63 H new ATOM 0 HG LEU A 8 8.862 7.037 3.626 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.171 6.164 2.927 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.761 7.649 2.036 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.878 7.722 3.419 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.290 5.747 5.167 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.088 7.251 5.686 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.360 6.997 6.025 1.00 19.31 H new ATOM 147 N THR A 9 8.209 11.673 3.921 1.00 18.33 N ATOM 148 CA THR A 9 8.060 13.077 4.146 1.00 19.24 C ATOM 149 C THR A 9 6.643 13.298 4.551 1.00 19.48 C ATOM 150 O THR A 9 6.256 13.854 5.578 1.00 23.14 O ATOM 151 CB THR A 9 8.426 13.919 2.960 1.00 18.97 C ATOM 152 OG1 THR A 9 7.987 13.343 1.738 1.00 20.24 O ATOM 153 CG2 THR A 9 9.947 14.141 2.911 1.00 19.70 C ATOM 0 H THR A 9 8.377 11.422 2.947 1.00 18.33 H new ATOM 0 HA THR A 9 8.754 13.391 4.925 1.00 19.24 H new ATOM 0 HB THR A 9 7.919 14.876 3.078 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.244 13.924 0.992 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.198 14.754 2.045 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.270 14.648 3.820 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.453 13.179 2.833 1.00 19.70 H new ATOM 161 N GLY A 10 5.719 12.699 3.779 1.00 19.43 N ATOM 162 CA GLY A 10 4.322 12.887 4.022 1.00 18.74 C ATOM 163 C GLY A 10 3.562 13.525 2.911 1.00 17.62 C ATOM 164 O GLY A 10 2.648 14.306 3.173 1.00 19.74 O ATOM 0 H GLY A 10 5.937 12.088 2.991 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.874 11.917 4.236 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.205 13.497 4.918 1.00 18.74 H new ATOM 168 N LYS A 11 3.814 13.151 1.644 1.00 13.56 N ATOM 169 CA LYS A 11 3.114 13.593 0.478 1.00 11.91 C ATOM 170 C LYS A 11 1.935 12.682 0.464 1.00 10.18 C ATOM 171 O LYS A 11 2.134 11.477 0.608 1.00 9.10 O ATOM 172 CB LYS A 11 3.902 13.525 -0.841 1.00 13.43 C ATOM 173 CG LYS A 11 5.262 14.227 -0.834 1.00 16.69 C ATOM 174 CD LYS A 11 5.792 14.221 -2.269 1.00 17.92 C ATOM 175 CE LYS A 11 5.805 12.866 -2.978 1.00 20.81 C ATOM 176 NZ LYS A 11 6.434 12.880 -4.318 1.00 21.93 N ATOM 0 H LYS A 11 4.560 12.493 1.420 1.00 13.56 H new ATOM 0 HA LYS A 11 2.882 14.656 0.535 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.055 12.477 -1.099 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.292 13.962 -1.631 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.164 15.248 -0.466 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.955 13.713 -0.168 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.189 14.911 -2.860 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.809 14.613 -2.260 1.00 17.92 H new ATOM 0 HE2 LYS A 11 6.332 12.147 -2.351 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.779 12.512 -3.076 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.128 12.043 -4.854 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.148 13.741 -4.827 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.469 12.866 -4.216 1.00 21.93 H new ATOM 190 N THR A 12 0.688 13.128 0.231 1.00 9.63 N ATOM 191 CA THR A 12 -0.453 12.265 0.259 1.00 9.85 C ATOM 192 C THR A 12 -0.618 11.753 -1.130 1.00 11.66 C ATOM 193 O THR A 12 -1.153 12.456 -1.986 1.00 12.33 O ATOM 194 CB THR A 12 -1.753 12.857 0.716 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.689 13.333 2.053 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.934 11.873 0.767 1.00 9.63 C ATOM 0 H THR A 12 0.468 14.101 0.020 1.00 9.63 H new ATOM 0 HA THR A 12 -0.244 11.505 1.011 1.00 9.85 H new ATOM 0 HB THR A 12 -1.913 13.636 -0.030 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.557 13.711 2.307 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.828 12.395 1.109 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.110 11.464 -0.228 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.702 11.061 1.457 1.00 9.63 H new ATOM 204 N ILE A 13 -0.199 10.506 -1.408 1.00 10.42 N ATOM 205 CA ILE A 13 -0.472 9.909 -2.679 1.00 11.84 C ATOM 206 C ILE A 13 -1.823 9.282 -2.651 1.00 10.55 C ATOM 207 O ILE A 13 -2.035 8.266 -1.991 1.00 11.92 O ATOM 208 CB ILE A 13 0.471 8.827 -3.115 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.935 9.224 -2.862 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.120 8.441 -4.561 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.855 8.008 -2.949 1.00 16.46 C ATOM 0 H ILE A 13 0.324 9.916 -0.761 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.372 10.736 -3.382 1.00 11.84 H new ATOM 0 HB ILE A 13 0.353 7.925 -2.514 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.244 9.971 -3.593 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.026 9.684 -1.878 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.793 7.654 -4.901 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.908 8.082 -4.602 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.226 9.313 -5.206 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.884 8.317 -2.766 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.558 7.273 -2.201 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.780 7.565 -3.942 1.00 16.46 H new ATOM 223 N THR A 14 -2.808 9.858 -3.363 1.00 9.39 N ATOM 224 CA THR A 14 -4.144 9.348 -3.378 1.00 9.63 C ATOM 225 C THR A 14 -4.345 8.390 -4.501 1.00 11.20 C ATOM 226 O THR A 14 -4.427 8.674 -5.695 1.00 11.63 O ATOM 227 CB THR A 14 -5.168 10.445 -3.402 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.986 11.515 -2.487 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.601 9.939 -3.169 1.00 11.66 C ATOM 0 H THR A 14 -2.675 10.691 -3.937 1.00 9.39 H new ATOM 0 HA THR A 14 -4.288 8.802 -2.446 1.00 9.63 H new ATOM 0 HB THR A 14 -5.017 10.826 -4.412 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.710 12.166 -2.597 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.293 10.780 -3.198 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.866 9.224 -3.948 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.661 9.453 -2.195 1.00 11.66 H new ATOM 237 N LEU A 15 -4.640 7.118 -4.180 1.00 8.29 N ATOM 238 CA LEU A 15 -4.763 5.996 -5.057 1.00 9.03 C ATOM 239 C LEU A 15 -6.151 5.454 -5.058 1.00 8.59 C ATOM 240 O LEU A 15 -6.856 5.291 -4.064 1.00 7.79 O ATOM 241 CB LEU A 15 -3.872 4.802 -4.675 1.00 11.08 C ATOM 242 CG LEU A 15 -2.377 5.163 -4.622 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.599 3.920 -4.157 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.744 5.667 -5.930 1.00 15.88 C ATOM 0 H LEU A 15 -4.809 6.852 -3.210 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.464 6.396 -6.026 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.183 4.420 -3.703 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.021 3.998 -5.396 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.313 6.006 -3.935 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.535 4.153 -4.112 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.947 3.621 -3.168 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.762 3.104 -4.861 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.690 5.887 -5.763 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.837 4.900 -6.698 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.256 6.572 -6.257 1.00 15.88 H new ATOM 256 N GLU A 16 -6.654 5.126 -6.262 1.00 11.04 N ATOM 257 CA GLU A 16 -7.992 4.681 -6.496 1.00 11.50 C ATOM 258 C GLU A 16 -7.899 3.247 -6.888 1.00 10.13 C ATOM 259 O GLU A 16 -7.296 2.934 -7.913 1.00 9.83 O ATOM 260 CB GLU A 16 -8.641 5.454 -7.657 1.00 17.22 C ATOM 261 CG GLU A 16 -9.942 4.916 -8.254 1.00 23.33 C ATOM 262 CD GLU A 16 -11.015 4.813 -7.179 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.583 5.812 -6.662 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.378 3.630 -6.944 1.00 28.90 O ATOM 0 H GLU A 16 -6.098 5.174 -7.116 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.596 4.837 -5.602 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.829 6.471 -7.314 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.909 5.520 -8.462 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.282 5.573 -9.054 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.768 3.936 -8.699 1.00 23.33 H new ATOM 271 N VAL A 17 -8.345 2.383 -5.958 1.00 8.99 N ATOM 272 CA VAL A 17 -8.201 0.964 -6.069 1.00 8.85 C ATOM 273 C VAL A 17 -9.496 0.240 -5.931 1.00 8.04 C ATOM 274 O VAL A 17 -10.485 0.743 -5.400 1.00 8.99 O ATOM 275 CB VAL A 17 -7.271 0.296 -5.100 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.850 0.751 -5.473 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.618 0.723 -3.664 1.00 10.54 C ATOM 0 H VAL A 17 -8.819 2.680 -5.105 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.773 0.890 -7.069 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.354 -0.790 -5.148 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.131 0.291 -4.795 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.628 0.449 -6.497 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.782 1.836 -5.392 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.939 0.234 -2.965 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.518 1.804 -3.572 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.644 0.433 -3.436 1.00 10.54 H new ATOM 287 N GLU A 18 -9.596 -1.047 -6.311 1.00 7.29 N ATOM 288 CA GLU A 18 -10.731 -1.806 -5.887 1.00 7.08 C ATOM 289 C GLU A 18 -10.401 -2.616 -4.681 1.00 6.45 C ATOM 290 O GLU A 18 -9.234 -2.979 -4.548 1.00 5.28 O ATOM 291 CB GLU A 18 -11.182 -2.803 -6.968 1.00 10.28 C ATOM 292 CG GLU A 18 -11.865 -2.053 -8.113 1.00 12.65 C ATOM 293 CD GLU A 18 -12.301 -2.917 -9.289 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.118 -3.860 -9.114 1.00 18.17 O ATOM 295 OE2 GLU A 18 -11.940 -2.541 -10.436 1.00 14.33 O ATOM 0 H GLU A 18 -8.920 -1.546 -6.889 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.520 -1.084 -5.680 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.323 -3.357 -7.346 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.868 -3.533 -6.539 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.741 -1.539 -7.717 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.184 -1.286 -8.480 1.00 12.65 H new ATOM 302 N PRO A 19 -11.339 -2.979 -3.857 1.00 7.24 N ATOM 303 CA PRO A 19 -11.140 -3.772 -2.678 1.00 7.07 C ATOM 304 C PRO A 19 -10.575 -5.106 -3.027 1.00 6.65 C ATOM 305 O PRO A 19 -9.913 -5.743 -2.209 1.00 6.37 O ATOM 306 CB PRO A 19 -12.474 -3.892 -1.945 1.00 7.61 C ATOM 307 CG PRO A 19 -13.508 -3.661 -3.058 1.00 8.16 C ATOM 308 CD PRO A 19 -12.748 -2.620 -3.895 1.00 7.49 C ATOM 0 HA PRO A 19 -10.416 -3.291 -2.020 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.593 -4.872 -1.482 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.565 -3.151 -1.151 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.730 -4.569 -3.619 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.456 -3.282 -2.677 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.115 -2.611 -4.921 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.900 -1.618 -3.493 1.00 7.49 H new ATOM 316 N SER A 20 -10.784 -5.600 -4.260 1.00 6.80 N ATOM 317 CA SER A 20 -10.319 -6.865 -4.740 1.00 6.28 C ATOM 318 C SER A 20 -9.069 -6.668 -5.526 1.00 8.45 C ATOM 319 O SER A 20 -8.571 -7.551 -6.222 1.00 7.26 O ATOM 320 CB SER A 20 -11.297 -7.537 -5.718 1.00 8.57 C ATOM 321 OG SER A 20 -11.843 -6.618 -6.653 1.00 11.13 O ATOM 0 H SER A 20 -11.310 -5.084 -4.965 1.00 6.80 H new ATOM 0 HA SER A 20 -10.188 -7.485 -3.853 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.781 -8.333 -6.254 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.106 -8.003 -5.156 1.00 8.57 H new ATOM 0 HG SER A 20 -12.457 -7.089 -7.255 1.00 11.13 H new ATOM 327 N ASP A 21 -8.316 -5.592 -5.237 1.00 7.50 N ATOM 328 CA ASP A 21 -6.944 -5.460 -5.619 1.00 7.70 C ATOM 329 C ASP A 21 -6.013 -5.890 -4.537 1.00 7.08 C ATOM 330 O ASP A 21 -6.425 -6.034 -3.388 1.00 8.11 O ATOM 331 CB ASP A 21 -6.688 -3.991 -5.994 1.00 11.00 C ATOM 332 CG ASP A 21 -7.186 -3.653 -7.392 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.893 -4.452 -8.320 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.772 -2.543 -7.503 1.00 18.03 O ATOM 0 H ASP A 21 -8.673 -4.788 -4.721 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.753 -6.113 -6.470 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.181 -3.343 -5.269 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.620 -3.784 -5.932 1.00 11.00 H new ATOM 339 N THR A 22 -4.770 -6.219 -4.932 1.00 5.37 N ATOM 340 CA THR A 22 -3.826 -6.831 -4.049 1.00 6.01 C ATOM 341 C THR A 22 -2.806 -5.827 -3.635 1.00 8.01 C ATOM 342 O THR A 22 -2.720 -4.704 -4.130 1.00 8.11 O ATOM 343 CB THR A 22 -3.158 -8.068 -4.570 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.252 -7.839 -5.639 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.221 -9.058 -5.076 1.00 9.65 C ATOM 0 H THR A 22 -4.416 -6.059 -5.875 1.00 5.37 H new ATOM 0 HA THR A 22 -4.410 -7.175 -3.195 1.00 6.01 H new ATOM 0 HB THR A 22 -2.587 -8.461 -3.729 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.857 -8.690 -5.921 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.732 -9.956 -5.454 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.888 -9.326 -4.257 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.798 -8.595 -5.877 1.00 9.65 H new ATOM 353 N ILE A 23 -1.960 -6.162 -2.644 1.00 8.32 N ATOM 354 CA ILE A 23 -0.930 -5.271 -2.209 1.00 9.92 C ATOM 355 C ILE A 23 0.167 -5.098 -3.203 1.00 10.01 C ATOM 356 O ILE A 23 0.577 -3.977 -3.498 1.00 8.71 O ATOM 357 CB ILE A 23 -0.418 -5.685 -0.862 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.233 -5.206 0.351 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.979 -5.118 -0.555 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.434 -6.061 0.753 1.00 12.30 C ATOM 0 H ILE A 23 -1.990 -7.051 -2.144 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.381 -4.283 -2.117 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.459 -6.769 -0.964 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -0.561 -5.139 1.207 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.588 -4.196 0.145 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.298 -5.451 0.433 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.688 -5.472 -1.303 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.942 -4.029 -0.577 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.923 -5.617 1.620 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.140 -6.110 -0.076 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.097 -7.067 1.002 1.00 12.30 H new ATOM 372 N GLU A 24 0.536 -6.225 -3.837 1.00 9.54 N ATOM 373 CA GLU A 24 1.254 -6.148 -5.071 1.00 11.81 C ATOM 374 C GLU A 24 0.862 -5.175 -6.130 1.00 11.14 C ATOM 375 O GLU A 24 1.653 -4.453 -6.736 1.00 10.62 O ATOM 376 CB GLU A 24 1.254 -7.581 -5.630 1.00 19.24 C ATOM 377 CG GLU A 24 2.065 -7.667 -6.924 1.00 27.76 C ATOM 378 CD GLU A 24 2.363 -9.121 -7.262 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.474 -9.994 -7.453 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.580 -9.378 -7.461 1.00 34.80 O ATOM 0 H GLU A 24 0.343 -7.170 -3.505 1.00 9.54 H new ATOM 0 HA GLU A 24 2.223 -5.727 -4.804 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.671 -8.264 -4.890 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.229 -7.902 -5.817 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.512 -7.202 -7.740 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.997 -7.113 -6.815 1.00 27.76 H new ATOM 387 N ASN A 25 -0.448 -5.005 -6.381 1.00 9.43 N ATOM 388 CA ASN A 25 -1.014 -4.049 -7.281 1.00 10.96 C ATOM 389 C ASN A 25 -0.732 -2.649 -6.856 1.00 9.68 C ATOM 390 O ASN A 25 -0.189 -1.818 -7.581 1.00 9.33 O ATOM 391 CB ASN A 25 -2.523 -4.259 -7.492 1.00 16.78 C ATOM 392 CG ASN A 25 -3.108 -3.468 -8.653 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.034 -2.676 -8.482 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.541 -3.693 -9.868 1.00 24.70 N ATOM 0 H ASN A 25 -1.160 -5.575 -5.923 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.525 -4.215 -8.241 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.711 -5.320 -7.659 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.048 -3.982 -6.578 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.882 -3.194 -10.690 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.775 -4.360 -9.958 1.00 24.70 H new ATOM 401 N VAL A 26 -1.174 -2.204 -5.666 1.00 6.52 N ATOM 402 CA VAL A 26 -0.776 -0.942 -5.125 1.00 5.53 C ATOM 403 C VAL A 26 0.678 -0.614 -5.160 1.00 4.42 C ATOM 404 O VAL A 26 1.035 0.515 -5.490 1.00 3.40 O ATOM 405 CB VAL A 26 -1.140 -0.768 -3.680 1.00 3.86 C ATOM 406 CG1 VAL A 26 -0.937 0.690 -3.234 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.635 -1.119 -3.594 1.00 8.12 C ATOM 0 H VAL A 26 -1.816 -2.727 -5.071 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.323 -0.284 -5.800 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.520 -1.395 -3.039 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.208 0.790 -2.183 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.108 0.969 -3.368 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.567 1.345 -3.835 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.975 -1.015 -2.564 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.204 -0.445 -4.234 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.787 -2.147 -3.924 1.00 8.12 H new ATOM 417 N LYS A 27 1.591 -1.557 -4.867 1.00 2.64 N ATOM 418 CA LYS A 27 3.001 -1.326 -4.927 1.00 4.14 C ATOM 419 C LYS A 27 3.409 -0.848 -6.278 1.00 5.58 C ATOM 420 O LYS A 27 4.409 -0.145 -6.410 1.00 4.11 O ATOM 421 CB LYS A 27 3.833 -2.572 -4.582 1.00 3.97 C ATOM 422 CG LYS A 27 3.787 -3.009 -3.116 1.00 7.45 C ATOM 423 CD LYS A 27 4.600 -4.275 -2.839 1.00 9.02 C ATOM 424 CE LYS A 27 4.829 -4.590 -1.359 1.00 12.90 C ATOM 425 NZ LYS A 27 5.789 -5.714 -1.294 1.00 15.47 N ATOM 0 H LYS A 27 1.343 -2.504 -4.581 1.00 2.64 H new ATOM 0 HA LYS A 27 3.202 -0.562 -4.176 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.489 -3.400 -5.201 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.871 -2.381 -4.854 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.163 -2.199 -2.490 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.750 -3.180 -2.827 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.092 -5.122 -3.300 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.569 -4.180 -3.328 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.222 -3.718 -0.836 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.891 -4.857 -0.873 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.767 -6.135 -0.343 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.528 -6.434 -1.997 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.747 -5.364 -1.496 1.00 15.47 H new ATOM 439 N ALA A 28 2.822 -1.290 -7.405 1.00 6.61 N ATOM 440 CA ALA A 28 3.202 -0.865 -8.716 1.00 7.74 C ATOM 441 C ALA A 28 2.783 0.524 -9.057 1.00 9.17 C ATOM 442 O ALA A 28 3.491 1.121 -9.865 1.00 11.45 O ATOM 443 CB ALA A 28 2.745 -1.893 -9.764 1.00 7.68 C ATOM 0 H ALA A 28 2.058 -1.965 -7.403 1.00 6.61 H new ATOM 0 HA ALA A 28 4.291 -0.821 -8.725 1.00 7.74 H new ATOM 0 HB1 ALA A 28 3.041 -1.556 -10.757 1.00 7.68 H new ATOM 0 HB2 ALA A 28 3.209 -2.857 -9.554 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.661 -1.996 -9.724 1.00 7.68 H new ATOM 449 N LYS A 29 1.736 1.086 -8.426 1.00 8.96 N ATOM 450 CA LYS A 29 1.504 2.494 -8.517 1.00 7.90 C ATOM 451 C LYS A 29 2.509 3.418 -7.921 1.00 6.92 C ATOM 452 O LYS A 29 2.855 4.479 -8.437 1.00 6.87 O ATOM 453 CB LYS A 29 0.076 2.704 -7.984 1.00 10.28 C ATOM 454 CG LYS A 29 -0.992 1.851 -8.670 1.00 14.94 C ATOM 455 CD LYS A 29 -2.464 2.234 -8.501 1.00 19.69 C ATOM 456 CE LYS A 29 -3.423 1.058 -8.302 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.221 0.032 -9.349 1.00 24.98 N ATOM 0 H LYS A 29 1.059 0.574 -7.860 1.00 8.96 H new ATOM 0 HA LYS A 29 1.621 2.787 -9.560 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.065 2.486 -6.916 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.189 3.755 -8.098 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.773 1.845 -9.738 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.875 0.827 -8.315 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.553 2.904 -7.646 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.780 2.796 -9.380 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.265 0.616 -7.318 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.453 1.414 -8.329 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -3.671 -0.858 -9.054 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.647 0.357 -10.240 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -2.203 -0.125 -9.489 1.00 24.98 H new ATOM 471 N ILE A 30 3.170 2.927 -6.857 1.00 4.57 N ATOM 472 CA ILE A 30 4.194 3.642 -6.161 1.00 5.58 C ATOM 473 C ILE A 30 5.477 3.585 -6.918 1.00 7.26 C ATOM 474 O ILE A 30 6.262 4.526 -7.023 1.00 9.46 O ATOM 475 CB ILE A 30 4.297 3.135 -4.753 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.925 3.194 -4.061 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.323 3.869 -3.873 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.971 2.521 -2.689 1.00 2.00 C ATOM 0 H ILE A 30 2.985 2.002 -6.469 1.00 4.57 H new ATOM 0 HA ILE A 30 3.937 4.699 -6.094 1.00 5.58 H new ATOM 0 HB ILE A 30 4.650 2.109 -4.853 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.615 4.233 -3.950 1.00 2.94 H new ATOM 0 HG13 ILE A 30 2.178 2.704 -4.685 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.325 3.432 -2.875 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.315 3.772 -4.313 1.00 2.78 H new ATOM 0 HG23 ILE A 30 5.057 4.924 -3.807 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.987 2.578 -2.223 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.257 1.476 -2.806 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.701 3.029 -2.059 1.00 2.00 H new ATOM 490 N GLN A 31 5.702 2.446 -7.597 1.00 7.06 N ATOM 491 CA GLN A 31 6.758 2.302 -8.550 1.00 8.67 C ATOM 492 C GLN A 31 6.621 3.138 -9.775 1.00 10.90 C ATOM 493 O GLN A 31 7.617 3.581 -10.346 1.00 9.63 O ATOM 494 CB GLN A 31 7.032 0.821 -8.861 1.00 9.12 C ATOM 495 CG GLN A 31 8.320 0.614 -9.661 1.00 10.76 C ATOM 496 CD GLN A 31 8.569 -0.830 -10.070 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.630 -1.570 -10.358 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.840 -1.314 -10.113 1.00 14.76 N ATOM 0 H GLN A 31 5.136 1.605 -7.481 1.00 7.06 H new ATOM 0 HA GLN A 31 7.644 2.711 -8.064 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.096 0.264 -7.927 1.00 9.12 H new ATOM 0 HB3 GLN A 31 6.192 0.410 -9.420 1.00 9.12 H new ATOM 0 HG2 GLN A 31 8.282 1.233 -10.557 1.00 10.76 H new ATOM 0 HG3 GLN A 31 9.165 0.963 -9.067 1.00 10.76 H new ATOM 0 HE21 GLN A 31 10.625 -0.707 -9.876 1.00 14.76 H new ATOM 0 HE22 GLN A 31 10.008 -2.283 -10.382 1.00 14.76 H new ATOM 507 N ASP A 32 5.373 3.405 -10.199 1.00 10.93 N ATOM 508 CA ASP A 32 4.936 4.273 -11.249 1.00 14.01 C ATOM 509 C ASP A 32 5.332 5.673 -10.925 1.00 14.04 C ATOM 510 O ASP A 32 6.026 6.319 -11.708 1.00 13.39 O ATOM 511 CB ASP A 32 3.466 4.013 -11.620 1.00 18.01 C ATOM 512 CG ASP A 32 3.088 4.617 -12.966 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.989 5.038 -13.739 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.857 4.656 -13.230 1.00 25.17 O ATOM 0 H ASP A 32 4.576 2.956 -9.748 1.00 10.93 H new ATOM 0 HA ASP A 32 5.445 4.057 -12.188 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.285 2.938 -11.644 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.821 4.427 -10.845 1.00 18.01 H new ATOM 519 N LYS A 33 4.844 6.232 -9.804 1.00 14.22 N ATOM 520 CA LYS A 33 5.084 7.608 -9.500 1.00 14.00 C ATOM 521 C LYS A 33 6.423 7.901 -8.916 1.00 12.37 C ATOM 522 O LYS A 33 7.203 8.572 -9.590 1.00 12.17 O ATOM 523 CB LYS A 33 3.884 8.088 -8.666 1.00 18.62 C ATOM 524 CG LYS A 33 2.517 7.793 -9.287 1.00 24.00 C ATOM 525 CD LYS A 33 1.299 8.496 -8.686 1.00 27.61 C ATOM 526 CE LYS A 33 1.391 10.016 -8.838 1.00 27.64 C ATOM 527 NZ LYS A 33 1.069 10.490 -10.202 1.00 30.06 N ATOM 0 H LYS A 33 4.286 5.734 -9.111 1.00 14.22 H new ATOM 0 HA LYS A 33 5.147 8.187 -10.421 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.931 7.619 -7.683 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.973 9.163 -8.511 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.566 8.051 -10.345 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.347 6.718 -9.229 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.393 8.136 -9.174 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.216 8.240 -7.630 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.711 10.487 -8.128 1.00 27.64 H new ATOM 0 HE3 LYS A 33 2.399 10.340 -8.577 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.150 11.526 -10.238 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.733 10.067 -10.882 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.098 10.210 -10.447 1.00 30.06 H new ATOM 541 N GLU A 34 6.688 7.352 -7.717 1.00 10.11 N ATOM 542 CA GLU A 34 7.875 7.535 -6.942 1.00 10.07 C ATOM 543 C GLU A 34 9.080 6.714 -7.251 1.00 9.32 C ATOM 544 O GLU A 34 10.209 7.157 -7.046 1.00 11.61 O ATOM 545 CB GLU A 34 7.741 7.443 -5.413 1.00 14.77 C ATOM 546 CG GLU A 34 6.610 8.308 -4.853 1.00 18.75 C ATOM 547 CD GLU A 34 6.926 9.789 -4.998 1.00 22.28 C ATOM 548 OE1 GLU A 34 8.027 10.266 -4.612 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.039 10.578 -5.422 1.00 25.19 O ATOM 0 H GLU A 34 6.021 6.734 -7.256 1.00 10.11 H new ATOM 0 HA GLU A 34 8.026 8.560 -7.282 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.568 6.404 -5.132 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.682 7.745 -4.954 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.681 8.079 -5.375 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.452 8.068 -3.801 1.00 18.75 H new ATOM 556 N GLY A 35 9.017 5.479 -7.781 1.00 7.22 N ATOM 557 CA GLY A 35 10.212 4.806 -8.185 1.00 6.29 C ATOM 558 C GLY A 35 10.828 3.756 -7.326 1.00 6.93 C ATOM 559 O GLY A 35 11.932 3.295 -7.614 1.00 7.41 O ATOM 0 H GLY A 35 8.155 4.954 -7.928 1.00 7.22 H new ATOM 0 HA2 GLY A 35 10.009 4.348 -9.153 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.971 5.572 -8.347 1.00 6.29 H new ATOM 563 N ILE A 36 10.205 3.298 -6.226 1.00 5.86 N ATOM 564 CA ILE A 36 10.704 2.304 -5.327 1.00 6.07 C ATOM 565 C ILE A 36 10.358 0.927 -5.777 1.00 6.36 C ATOM 566 O ILE A 36 9.180 0.676 -6.027 1.00 6.18 O ATOM 567 CB ILE A 36 10.176 2.534 -3.942 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.328 3.993 -3.479 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.969 1.707 -2.916 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.412 4.294 -2.293 1.00 9.49 C ATOM 0 H ILE A 36 9.288 3.647 -5.946 1.00 5.86 H new ATOM 0 HA ILE A 36 11.790 2.393 -5.318 1.00 6.07 H new ATOM 0 HB ILE A 36 9.124 2.254 -3.991 1.00 7.47 H new ATOM 0 HG12 ILE A 36 11.364 4.182 -3.199 1.00 8.52 H new ATOM 0 HG13 ILE A 36 10.093 4.666 -4.304 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.571 1.887 -1.917 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.880 0.647 -3.156 1.00 7.36 H new ATOM 0 HG23 ILE A 36 12.019 1.999 -2.946 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.541 5.332 -1.988 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.375 4.128 -2.583 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.666 3.637 -1.461 1.00 9.49 H new ATOM 582 N PRO A 37 11.276 0.010 -5.855 1.00 8.65 N ATOM 583 CA PRO A 37 10.902 -1.335 -6.186 1.00 9.18 C ATOM 584 C PRO A 37 10.073 -2.100 -5.213 1.00 9.85 C ATOM 585 O PRO A 37 10.192 -1.861 -4.012 1.00 8.51 O ATOM 586 CB PRO A 37 12.247 -2.032 -6.373 1.00 11.42 C ATOM 587 CG PRO A 37 13.023 -0.910 -7.082 1.00 9.27 C ATOM 588 CD PRO A 37 12.708 0.181 -6.046 1.00 8.33 C ATOM 0 HA PRO A 37 10.238 -1.298 -7.050 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.703 -2.322 -5.426 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.170 -2.935 -6.979 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.088 -1.117 -7.184 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.645 -0.684 -8.079 1.00 9.27 H new ATOM 0 HD2 PRO A 37 13.264 0.037 -5.119 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.955 1.177 -6.414 1.00 8.33 H new ATOM 596 N PRO A 38 9.181 -2.980 -5.558 1.00 8.71 N ATOM 597 CA PRO A 38 8.247 -3.536 -4.622 1.00 9.08 C ATOM 598 C PRO A 38 8.731 -4.384 -3.497 1.00 9.28 C ATOM 599 O PRO A 38 7.992 -4.573 -2.532 1.00 6.50 O ATOM 600 CB PRO A 38 7.456 -4.532 -5.467 1.00 10.31 C ATOM 601 CG PRO A 38 7.152 -3.546 -6.605 1.00 10.81 C ATOM 602 CD PRO A 38 8.519 -2.888 -6.850 1.00 12.00 C ATOM 0 HA PRO A 38 7.773 -2.673 -4.155 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.040 -5.397 -5.783 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.564 -4.914 -4.970 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.782 -4.055 -7.495 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.396 -2.815 -6.318 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.081 -3.408 -7.626 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.413 -1.852 -7.173 1.00 12.00 H new ATOM 610 N ASP A 39 9.962 -4.926 -3.507 1.00 11.20 N ATOM 611 CA ASP A 39 10.452 -5.683 -2.398 1.00 14.96 C ATOM 612 C ASP A 39 11.014 -4.783 -1.352 1.00 13.99 C ATOM 613 O ASP A 39 11.213 -5.235 -0.225 1.00 13.75 O ATOM 614 CB ASP A 39 11.612 -6.532 -2.946 1.00 24.16 C ATOM 615 CG ASP A 39 12.205 -7.464 -1.899 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.390 -8.204 -1.284 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.452 -7.485 -1.718 1.00 34.22 O ATOM 0 H ASP A 39 10.618 -4.840 -4.283 1.00 11.20 H new ATOM 0 HA ASP A 39 9.649 -6.276 -1.960 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.257 -7.121 -3.792 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.393 -5.872 -3.323 1.00 24.16 H new ATOM 622 N GLN A 40 11.352 -3.545 -1.754 1.00 11.60 N ATOM 623 CA GLN A 40 12.101 -2.601 -0.984 1.00 10.76 C ATOM 624 C GLN A 40 11.133 -1.766 -0.218 1.00 8.01 C ATOM 625 O GLN A 40 11.346 -1.273 0.889 1.00 8.96 O ATOM 626 CB GLN A 40 12.919 -1.601 -1.820 1.00 11.14 C ATOM 627 CG GLN A 40 13.961 -0.752 -1.090 1.00 14.85 C ATOM 628 CD GLN A 40 14.808 0.166 -1.960 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.645 1.369 -2.157 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.839 -0.405 -2.638 1.00 18.16 N ATOM 0 H GLN A 40 11.087 -3.182 -2.670 1.00 11.60 H new ATOM 0 HA GLN A 40 12.788 -3.190 -0.376 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.430 -2.159 -2.605 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.220 -0.925 -2.313 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.447 -0.142 -0.347 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.628 -1.421 -0.546 1.00 14.85 H new ATOM 0 HE21 GLN A 40 16.035 -1.400 -2.525 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.416 0.161 -3.260 1.00 18.16 H new ATOM 639 N GLN A 41 9.885 -1.662 -0.707 1.00 6.52 N ATOM 640 CA GLN A 41 8.826 -0.979 -0.029 1.00 3.87 C ATOM 641 C GLN A 41 8.335 -1.762 1.140 1.00 4.79 C ATOM 642 O GLN A 41 8.410 -2.989 1.186 1.00 6.34 O ATOM 643 CB GLN A 41 7.611 -0.722 -0.937 1.00 4.20 C ATOM 644 CG GLN A 41 7.656 0.357 -2.020 1.00 3.20 C ATOM 645 CD GLN A 41 6.414 0.163 -2.877 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.321 0.116 -2.314 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.621 0.013 -4.213 1.00 7.13 N ATOM 0 H GLN A 41 9.603 -2.065 -1.601 1.00 6.52 H new ATOM 0 HA GLN A 41 9.257 -0.029 0.289 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.377 -1.664 -1.433 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.769 -0.487 -0.286 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.669 1.352 -1.575 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.560 0.265 -2.622 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.566 0.068 -4.592 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.831 -0.154 -4.836 1.00 7.13 H new ATOM 656 N ARG A 42 7.733 -1.113 2.153 1.00 5.73 N ATOM 657 CA ARG A 42 6.968 -1.568 3.272 1.00 6.97 C ATOM 658 C ARG A 42 5.785 -0.714 3.575 1.00 7.15 C ATOM 659 O ARG A 42 5.818 0.486 3.840 1.00 7.33 O ATOM 660 CB ARG A 42 7.824 -1.945 4.493 1.00 13.23 C ATOM 661 CG ARG A 42 6.970 -2.360 5.693 1.00 21.27 C ATOM 662 CD ARG A 42 7.824 -2.637 6.932 1.00 26.14 C ATOM 663 NE ARG A 42 6.803 -3.139 7.895 1.00 32.26 N ATOM 664 CZ ARG A 42 6.881 -2.902 9.237 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.006 -2.510 9.903 1.00 35.30 N ATOM 666 NH2 ARG A 42 5.789 -3.266 9.969 1.00 36.39 N ATOM 0 H ARG A 42 7.800 -0.096 2.184 1.00 5.73 H new ATOM 0 HA ARG A 42 6.531 -2.516 2.957 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.494 -2.762 4.226 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.450 -1.097 4.771 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.251 -1.572 5.917 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.397 -3.252 5.440 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.601 -3.376 6.737 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.323 -1.738 7.295 1.00 26.14 H new ATOM 0 HE ARG A 42 6.016 -3.680 7.537 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.879 -2.372 9.393 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.974 -2.355 10.911 1.00 35.30 H new ATOM 0 HH21 ARG A 42 4.983 -3.687 9.507 1.00 36.39 H new ATOM 0 HH22 ARG A 42 5.779 -3.118 10.978 1.00 36.39 H new ATOM 680 N LEU A 43 4.603 -1.352 3.510 1.00 4.65 N ATOM 681 CA LEU A 43 3.366 -0.679 3.761 1.00 3.51 C ATOM 682 C LEU A 43 2.862 -1.043 5.115 1.00 5.56 C ATOM 683 O LEU A 43 2.960 -2.216 5.474 1.00 4.19 O ATOM 684 CB LEU A 43 2.414 -0.894 2.573 1.00 3.74 C ATOM 685 CG LEU A 43 2.731 -0.082 1.306 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.990 -0.638 0.078 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.356 1.394 1.519 1.00 9.55 C ATOM 0 H LEU A 43 4.504 -2.341 3.282 1.00 4.65 H new ATOM 0 HA LEU A 43 3.483 0.404 3.811 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.420 -1.953 2.314 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.401 -0.650 2.894 1.00 3.74 H new ATOM 0 HG LEU A 43 3.802 -0.163 1.117 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.238 -0.039 -0.798 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.291 -1.672 -0.091 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.915 -0.597 0.253 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.584 1.961 0.617 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.291 1.471 1.737 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.927 1.797 2.355 1.00 9.55 H new ATOM 699 N ILE A 44 2.437 -0.064 5.933 1.00 4.58 N ATOM 700 CA ILE A 44 1.916 -0.278 7.248 1.00 5.55 C ATOM 701 C ILE A 44 0.528 0.262 7.287 1.00 5.46 C ATOM 702 O ILE A 44 0.288 1.413 6.923 1.00 6.04 O ATOM 703 CB ILE A 44 2.730 0.372 8.327 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.233 0.138 8.102 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.253 -0.120 9.704 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.048 0.455 9.355 1.00 13.90 C ATOM 0 H ILE A 44 2.457 0.920 5.666 1.00 4.58 H new ATOM 0 HA ILE A 44 1.944 -1.350 7.445 1.00 5.55 H new ATOM 0 HB ILE A 44 2.581 1.451 8.292 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.400 -0.899 7.812 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.579 0.760 7.276 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.847 0.354 10.486 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.203 0.138 9.839 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.371 -1.202 9.765 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.105 0.277 9.156 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.901 1.499 9.630 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.720 -0.185 10.174 1.00 13.90 H new ATOM 718 N PHE A 45 -0.467 -0.496 7.780 1.00 6.75 N ATOM 719 CA PHE A 45 -1.740 0.012 8.189 1.00 4.70 C ATOM 720 C PHE A 45 -1.679 0.468 9.606 1.00 6.34 C ATOM 721 O PHE A 45 -1.558 1.670 9.841 1.00 5.45 O ATOM 722 CB PHE A 45 -2.750 -1.124 7.954 1.00 5.51 C ATOM 723 CG PHE A 45 -4.207 -0.832 8.065 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.704 0.216 7.327 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.074 -1.660 8.738 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.057 0.435 7.438 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.424 -1.425 8.846 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.925 -0.332 8.179 1.00 6.84 C ATOM 0 H PHE A 45 -0.381 -1.505 7.899 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.045 0.889 7.618 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.570 -1.523 6.956 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.520 -1.920 8.662 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.072 0.828 6.700 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.672 -2.545 9.208 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.471 1.276 6.901 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.063 -2.071 9.429 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.974 -0.082 8.236 1.00 6.84 H new ATOM 738 N ALA A 46 -1.716 -0.482 10.557 1.00 6.53 N ATOM 739 CA ALA A 46 -1.546 -0.249 11.958 1.00 7.15 C ATOM 740 C ALA A 46 -0.176 -0.698 12.333 1.00 9.00 C ATOM 741 O ALA A 46 0.777 0.077 12.403 1.00 11.15 O ATOM 742 CB ALA A 46 -2.628 -0.920 12.822 1.00 8.99 C ATOM 0 H ALA A 46 -1.873 -1.465 10.337 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.662 0.817 12.155 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.440 -0.704 13.874 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.608 -0.534 12.542 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.603 -1.998 12.663 1.00 8.99 H new ATOM 748 N GLY A 47 0.051 -2.022 12.389 1.00 9.35 N ATOM 749 CA GLY A 47 1.248 -2.621 12.891 1.00 11.68 C ATOM 750 C GLY A 47 1.605 -3.932 12.278 1.00 11.14 C ATOM 751 O GLY A 47 2.683 -4.381 12.664 1.00 13.93 O ATOM 0 H GLY A 47 -0.633 -2.708 12.069 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.075 -1.928 12.736 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.144 -2.757 13.967 1.00 11.68 H new ATOM 755 N LYS A 48 0.890 -4.524 11.305 1.00 10.47 N ATOM 756 CA LYS A 48 1.068 -5.884 10.898 1.00 8.82 C ATOM 757 C LYS A 48 1.776 -5.879 9.587 1.00 7.68 C ATOM 758 O LYS A 48 1.871 -4.798 9.008 1.00 6.47 O ATOM 759 CB LYS A 48 -0.245 -6.657 10.691 1.00 9.74 C ATOM 760 CG LYS A 48 -1.093 -6.701 11.964 1.00 14.14 C ATOM 761 CD LYS A 48 -2.319 -7.589 11.741 1.00 16.32 C ATOM 762 CE LYS A 48 -3.353 -7.540 12.867 1.00 20.04 C ATOM 763 NZ LYS A 48 -4.563 -8.333 12.557 1.00 23.92 N ATOM 0 H LYS A 48 0.161 -4.038 10.782 1.00 10.47 H new ATOM 0 HA LYS A 48 1.619 -6.378 11.698 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.818 -6.190 9.890 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.020 -7.674 10.370 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.500 -7.086 12.794 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.407 -5.694 12.237 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.801 -7.293 10.809 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.987 -8.619 11.615 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.903 -7.914 13.787 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.638 -6.504 13.050 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.233 -8.268 13.350 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.010 -7.961 11.695 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.298 -9.328 12.408 1.00 23.92 H new ATOM 777 N GLN A 49 2.310 -7.008 9.088 1.00 8.89 N ATOM 778 CA GLN A 49 2.967 -7.121 7.823 1.00 7.18 C ATOM 779 C GLN A 49 2.043 -7.640 6.776 1.00 8.23 C ATOM 780 O GLN A 49 1.179 -8.485 7.004 1.00 9.70 O ATOM 781 CB GLN A 49 4.203 -8.024 7.979 1.00 11.67 C ATOM 782 CG GLN A 49 5.194 -7.963 6.815 1.00 15.82 C ATOM 783 CD GLN A 49 6.373 -8.782 7.318 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.261 -8.227 7.963 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.447 -10.103 7.002 1.00 20.67 N ATOM 0 H GLN A 49 2.281 -7.892 9.597 1.00 8.89 H new ATOM 0 HA GLN A 49 3.286 -6.132 7.496 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.724 -7.748 8.896 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.869 -9.055 8.100 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.771 -8.385 5.903 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.484 -6.937 6.587 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.698 -10.542 6.466 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.251 -10.655 7.301 1.00 20.67 H new ATOM 794 N LEU A 50 2.159 -7.060 5.568 1.00 6.51 N ATOM 795 CA LEU A 50 1.290 -7.342 4.469 1.00 7.41 C ATOM 796 C LEU A 50 1.984 -8.268 3.531 1.00 8.27 C ATOM 797 O LEU A 50 3.164 -8.112 3.220 1.00 8.34 O ATOM 798 CB LEU A 50 1.014 -5.988 3.793 1.00 7.13 C ATOM 799 CG LEU A 50 0.296 -4.876 4.578 1.00 7.53 C ATOM 800 CD1 LEU A 50 0.247 -3.524 3.847 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.125 -5.261 5.021 1.00 8.14 C ATOM 0 H LEU A 50 2.881 -6.373 5.350 1.00 6.51 H new ATOM 0 HA LEU A 50 0.360 -7.816 4.781 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.973 -5.587 3.464 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.426 -6.185 2.897 1.00 7.13 H new ATOM 0 HG LEU A 50 0.919 -4.757 5.465 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.275 -2.794 4.466 1.00 9.11 H new ATOM 0 HD12 LEU A 50 1.262 -3.177 3.655 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.281 -3.641 2.901 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.573 -4.432 5.569 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.731 -5.486 4.144 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.080 -6.139 5.665 1.00 8.14 H new ATOM 813 N GLU A 51 1.271 -9.236 2.929 1.00 9.43 N ATOM 814 CA GLU A 51 1.757 -10.126 1.920 1.00 11.90 C ATOM 815 C GLU A 51 1.335 -9.577 0.601 1.00 11.49 C ATOM 816 O GLU A 51 0.249 -9.005 0.514 1.00 9.88 O ATOM 817 CB GLU A 51 1.011 -11.467 2.012 1.00 16.56 C ATOM 818 CG GLU A 51 1.347 -12.192 3.317 1.00 26.06 C ATOM 819 CD GLU A 51 0.642 -13.516 3.574 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.100 -14.551 3.020 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.450 -13.512 4.202 1.00 33.44 O ATOM 0 H GLU A 51 0.293 -9.408 3.162 1.00 9.43 H new ATOM 0 HA GLU A 51 2.835 -10.241 2.037 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.064 -11.294 1.954 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.279 -12.096 1.163 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.422 -12.371 3.338 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.120 -11.521 4.145 1.00 26.06 H new ATOM 828 N ASP A 52 2.106 -9.793 -0.480 1.00 12.71 N ATOM 829 CA ASP A 52 1.916 -9.272 -1.798 1.00 16.56 C ATOM 830 C ASP A 52 0.697 -9.819 -2.455 1.00 15.83 C ATOM 831 O ASP A 52 0.092 -9.145 -3.288 1.00 17.21 O ATOM 832 CB ASP A 52 3.132 -9.493 -2.713 1.00 21.05 C ATOM 833 CG ASP A 52 4.186 -8.489 -2.269 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.791 -8.756 -1.196 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.405 -7.473 -2.981 1.00 25.82 O ATOM 0 H ASP A 52 2.935 -10.385 -0.424 1.00 12.71 H new ATOM 0 HA ASP A 52 1.787 -8.199 -1.658 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.505 -10.513 -2.625 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.865 -9.340 -3.759 1.00 21.05 H new ATOM 840 N GLY A 53 0.289 -11.066 -2.158 1.00 15.00 N ATOM 841 CA GLY A 53 -0.814 -11.782 -2.720 1.00 11.77 C ATOM 842 C GLY A 53 -2.110 -12.042 -2.031 1.00 11.10 C ATOM 843 O GLY A 53 -2.831 -13.027 -2.183 1.00 11.25 O ATOM 0 H GLY A 53 0.779 -11.623 -1.458 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.067 -11.263 -3.645 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.423 -12.760 -3.000 1.00 11.77 H new ATOM 847 N ARG A 54 -2.532 -11.036 -1.244 1.00 8.53 N ATOM 848 CA ARG A 54 -3.835 -11.017 -0.654 1.00 9.05 C ATOM 849 C ARG A 54 -4.469 -9.722 -1.029 1.00 8.96 C ATOM 850 O ARG A 54 -3.809 -8.723 -1.312 1.00 11.60 O ATOM 851 CB ARG A 54 -3.717 -10.992 0.879 1.00 7.97 C ATOM 852 CG ARG A 54 -2.707 -11.988 1.452 1.00 9.62 C ATOM 853 CD ARG A 54 -3.209 -13.433 1.414 1.00 12.20 C ATOM 854 NE ARG A 54 -2.140 -14.312 1.964 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.100 -15.676 2.015 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.134 -16.467 1.606 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.080 -16.257 2.712 1.00 25.50 N ATOM 0 H ARG A 54 -1.960 -10.223 -1.014 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.397 -11.889 -0.987 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.436 -9.987 1.193 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.697 -11.198 1.310 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.776 -11.917 0.890 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.479 -11.715 2.482 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.123 -13.533 2.000 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.452 -13.724 0.392 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.330 -13.831 2.355 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.987 -16.043 1.241 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.054 -17.482 1.665 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.381 -15.675 3.173 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.017 -17.273 2.772 1.00 25.50 H new ATOM 871 N THR A 55 -5.804 -9.591 -0.920 1.00 9.05 N ATOM 872 CA THR A 55 -6.538 -8.436 -1.334 1.00 9.03 C ATOM 873 C THR A 55 -6.624 -7.426 -0.243 1.00 8.15 C ATOM 874 O THR A 55 -6.367 -7.729 0.922 1.00 5.91 O ATOM 875 CB THR A 55 -7.861 -8.691 -1.992 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.797 -9.173 -1.039 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.788 -9.777 -3.078 1.00 11.71 C ATOM 0 H THR A 55 -6.397 -10.322 -0.526 1.00 9.05 H new ATOM 0 HA THR A 55 -5.944 -8.018 -2.147 1.00 9.03 H new ATOM 0 HB THR A 55 -8.156 -7.738 -2.431 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.698 -10.143 -0.945 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.775 -9.918 -3.519 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.085 -9.470 -3.853 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.452 -10.714 -2.634 1.00 11.71 H new ATOM 885 N LEU A 56 -7.041 -6.201 -0.611 1.00 6.91 N ATOM 886 CA LEU A 56 -7.471 -5.252 0.368 1.00 8.29 C ATOM 887 C LEU A 56 -8.626 -5.770 1.153 1.00 8.05 C ATOM 888 O LEU A 56 -8.758 -5.681 2.373 1.00 10.17 O ATOM 889 CB LEU A 56 -7.767 -3.877 -0.255 1.00 6.60 C ATOM 890 CG LEU A 56 -6.589 -3.068 -0.822 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.561 -2.887 -2.349 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.507 -1.668 -0.192 1.00 9.85 C ATOM 0 H LEU A 56 -7.080 -5.870 -1.575 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.645 -5.106 1.065 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.488 -4.024 -1.059 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.256 -3.266 0.504 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.732 -3.687 -0.558 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.686 -2.301 -2.630 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.513 -3.864 -2.830 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.464 -2.368 -2.670 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.662 -1.126 -0.618 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.428 -1.122 -0.397 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.372 -1.761 0.886 1.00 9.85 H new ATOM 904 N SER A 57 -9.584 -6.423 0.471 1.00 8.92 N ATOM 905 CA SER A 57 -10.701 -7.066 1.091 1.00 9.00 C ATOM 906 C SER A 57 -10.338 -8.122 2.077 1.00 9.44 C ATOM 907 O SER A 57 -10.934 -8.210 3.149 1.00 10.91 O ATOM 908 CB SER A 57 -11.750 -7.574 0.087 1.00 10.32 C ATOM 909 OG SER A 57 -13.013 -7.777 0.702 1.00 13.59 O ATOM 0 H SER A 57 -9.581 -6.506 -0.546 1.00 8.92 H new ATOM 0 HA SER A 57 -11.166 -6.266 1.667 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.853 -6.855 -0.726 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.407 -8.509 -0.356 1.00 10.32 H new ATOM 0 HG SER A 57 -13.654 -8.098 0.034 1.00 13.59 H new ATOM 915 N ASP A 58 -9.304 -8.941 1.815 1.00 9.11 N ATOM 916 CA ASP A 58 -8.943 -10.059 2.630 1.00 7.91 C ATOM 917 C ASP A 58 -8.436 -9.627 3.963 1.00 9.12 C ATOM 918 O ASP A 58 -8.593 -10.265 5.003 1.00 8.61 O ATOM 919 CB ASP A 58 -7.863 -10.968 2.019 1.00 8.41 C ATOM 920 CG ASP A 58 -8.320 -11.724 0.780 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.298 -12.518 0.793 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.682 -11.477 -0.278 1.00 10.05 O ATOM 0 H ASP A 58 -8.696 -8.820 1.005 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.871 -10.624 2.715 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.994 -10.361 1.762 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.539 -11.687 2.772 1.00 8.41 H new ATOM 927 N TYR A 59 -7.691 -8.508 4.018 1.00 7.97 N ATOM 928 CA TYR A 59 -7.150 -7.837 5.159 1.00 8.45 C ATOM 929 C TYR A 59 -8.186 -6.918 5.709 1.00 10.98 C ATOM 930 O TYR A 59 -7.840 -6.180 6.630 1.00 12.95 O ATOM 931 CB TYR A 59 -5.897 -7.036 4.768 1.00 7.94 C ATOM 932 CG TYR A 59 -4.726 -7.953 4.677 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.345 -8.775 5.711 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.948 -7.920 3.544 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.135 -9.428 5.684 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.722 -8.541 3.502 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.333 -9.310 4.573 1.00 6.76 C ATOM 938 OH TYR A 59 -1.053 -9.899 4.501 1.00 7.63 O ATOM 0 H TYR A 59 -7.441 -8.019 3.159 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.865 -8.573 5.911 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.056 -6.537 3.812 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.706 -6.257 5.506 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.005 -8.910 6.556 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.307 -7.396 2.670 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.818 -10.026 6.525 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.077 -8.427 2.644 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.071 -10.643 3.863 1.00 7.63 H new ATOM 948 N ASN A 60 -9.384 -6.840 5.102 1.00 12.38 N ATOM 949 CA ASN A 60 -10.428 -5.975 5.555 1.00 13.94 C ATOM 950 C ASN A 60 -10.105 -4.523 5.654 1.00 14.16 C ATOM 951 O ASN A 60 -10.595 -3.792 6.513 1.00 14.26 O ATOM 952 CB ASN A 60 -11.173 -6.527 6.782 1.00 19.23 C ATOM 953 CG ASN A 60 -11.427 -8.020 6.638 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.605 -8.884 6.940 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.602 -8.373 6.050 1.00 24.09 N ATOM 0 H ASN A 60 -9.632 -7.390 4.279 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.132 -5.990 4.723 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.588 -6.339 7.682 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.121 -6.003 6.903 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.802 -9.355 5.859 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.283 -7.656 5.800 1.00 24.09 H new ATOM 962 N ILE A 61 -9.297 -4.036 4.695 1.00 11.08 N ATOM 963 CA ILE A 61 -8.907 -2.665 4.588 1.00 11.78 C ATOM 964 C ILE A 61 -9.764 -1.999 3.567 1.00 13.74 C ATOM 965 O ILE A 61 -9.711 -2.435 2.418 1.00 14.60 O ATOM 966 CB ILE A 61 -7.481 -2.615 4.127 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.492 -3.240 5.125 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.117 -1.125 4.013 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.066 -3.355 4.588 1.00 11.42 C ATOM 0 H ILE A 61 -8.899 -4.624 3.963 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.015 -2.163 5.550 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.406 -3.174 3.194 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.481 -2.640 6.035 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.848 -4.233 5.402 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.084 -1.027 3.679 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.778 -0.643 3.293 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.231 -0.647 4.986 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.426 -3.805 5.348 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.063 -3.980 3.695 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.690 -2.363 4.338 1.00 11.42 H new ATOM 981 N GLN A 62 -10.623 -1.094 4.069 1.00 13.97 N ATOM 982 CA GLN A 62 -11.694 -0.558 3.288 1.00 15.52 C ATOM 983 C GLN A 62 -11.220 0.737 2.723 1.00 13.94 C ATOM 984 O GLN A 62 -10.025 1.026 2.710 1.00 12.15 O ATOM 985 CB GLN A 62 -12.783 -0.198 4.313 1.00 19.53 C ATOM 986 CG GLN A 62 -13.309 -1.362 5.156 1.00 26.38 C ATOM 987 CD GLN A 62 -13.944 -2.426 4.273 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.415 -3.532 4.174 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.094 -2.129 3.611 1.00 32.71 N ATOM 0 H GLN A 62 -10.575 -0.732 5.021 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.030 -1.240 2.507 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.387 0.564 4.985 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.622 0.251 3.782 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.492 -1.800 5.730 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.042 -0.994 5.874 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.514 -1.205 3.708 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.536 -2.830 3.017 1.00 32.71 H new ATOM 998 N LYS A 63 -12.139 1.551 2.174 1.00 11.73 N ATOM 999 CA LYS A 63 -11.950 2.922 1.816 1.00 11.97 C ATOM 1000 C LYS A 63 -11.516 3.853 2.895 1.00 10.41 C ATOM 1001 O LYS A 63 -11.693 3.640 4.094 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.246 3.495 1.219 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.488 3.643 2.100 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.745 3.839 1.251 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.005 4.062 2.090 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.152 4.505 1.267 1.00 25.97 N ATOM 0 H LYS A 63 -13.083 1.226 1.966 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.123 2.875 1.107 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.011 4.482 0.819 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.521 2.865 0.373 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.602 2.757 2.725 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.363 4.493 2.771 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.600 4.693 0.589 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.888 2.964 0.616 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.265 3.137 2.605 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.801 4.808 2.858 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.983 4.644 1.876 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.915 5.401 0.795 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.365 3.782 0.550 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.951 4.996 2.466 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.414 6.039 3.283 1.00 10.94 C ATOM 1022 C GLU A 64 -9.221 5.622 4.073 1.00 9.74 C ATOM 1023 O GLU A 64 -8.804 6.295 5.014 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.533 6.733 4.079 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.638 7.435 3.287 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.621 8.156 4.198 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.287 9.333 4.501 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.641 7.557 4.631 1.00 32.61 O ATOM 0 H GLU A 64 -10.864 5.205 1.471 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.999 6.806 2.629 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.002 5.986 4.719 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.070 7.470 4.735 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.191 8.151 2.597 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.173 6.702 2.683 1.00 24.16 H new ATOM 1035 N SER A 65 -8.610 4.473 3.735 1.00 6.85 N ATOM 1036 CA SER A 65 -7.581 3.925 4.564 1.00 6.90 C ATOM 1037 C SER A 65 -6.228 4.524 4.390 1.00 4.72 C ATOM 1038 O SER A 65 -5.733 4.700 3.278 1.00 3.91 O ATOM 1039 CB SER A 65 -7.385 2.402 4.485 1.00 7.28 C ATOM 1040 OG SER A 65 -8.536 1.818 5.078 1.00 10.56 O ATOM 0 H SER A 65 -8.824 3.929 2.899 1.00 6.85 H new ATOM 0 HA SER A 65 -7.993 4.192 5.537 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.274 2.078 3.450 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.480 2.099 5.012 1.00 7.28 H new ATOM 0 HG SER A 65 -9.141 1.501 4.375 1.00 10.56 H new ATOM 1046 N THR A 66 -5.618 4.817 5.553 1.00 4.48 N ATOM 1047 CA THR A 66 -4.377 5.527 5.595 1.00 3.80 C ATOM 1048 C THR A 66 -3.262 4.540 5.629 1.00 4.60 C ATOM 1049 O THR A 66 -2.953 3.916 6.643 1.00 5.33 O ATOM 1050 CB THR A 66 -4.271 6.586 6.652 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.342 7.515 6.571 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.984 7.393 6.413 1.00 3.40 C ATOM 0 H THR A 66 -5.987 4.561 6.469 1.00 4.48 H new ATOM 0 HA THR A 66 -4.314 6.119 4.682 1.00 3.80 H new ATOM 0 HB THR A 66 -4.284 6.086 7.621 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.243 8.190 7.275 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.893 8.167 7.175 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.122 6.728 6.467 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.023 7.856 5.427 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.443 4.439 4.567 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.286 3.605 4.460 1.00 3.85 C ATOM 1062 C LEU A 67 -0.117 4.477 4.762 1.00 3.80 C ATOM 1063 O LEU A 67 0.024 5.605 4.292 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.054 2.998 3.066 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.063 1.880 2.759 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -1.732 1.238 1.401 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.057 0.734 3.785 1.00 8.12 C ATOM 0 H LEU A 67 -2.603 4.983 3.719 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.424 2.766 5.142 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.135 3.779 2.310 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.041 2.601 3.006 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.039 2.365 2.777 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -2.450 0.446 1.188 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.784 1.995 0.618 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -0.727 0.817 1.433 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.796 -0.015 3.499 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.068 0.276 3.813 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.303 1.127 4.771 1.00 8.12 H new ATOM 1079 N HIS A 68 0.766 3.937 5.622 1.00 2.94 N ATOM 1080 CA HIS A 68 2.080 4.419 5.911 1.00 4.17 C ATOM 1081 C HIS A 68 3.133 3.752 5.094 1.00 5.32 C ATOM 1082 O HIS A 68 3.305 2.540 5.212 1.00 7.70 O ATOM 1083 CB HIS A 68 2.275 4.216 7.424 1.00 5.57 C ATOM 1084 CG HIS A 68 3.607 4.570 8.016 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.828 5.672 8.816 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.802 3.962 7.789 1.00 12.79 C ATOM 1087 CE1 HIS A 68 5.163 5.631 9.070 1.00 14.75 C ATOM 1088 NE2 HIS A 68 5.794 4.640 8.468 1.00 16.30 N ATOM 0 H HIS A 68 0.541 3.098 6.156 1.00 2.94 H new ATOM 0 HA HIS A 68 2.179 5.471 5.644 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.514 4.801 7.940 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.078 3.168 7.648 1.00 5.57 H new ATOM 0 HD2 HIS A 68 4.951 3.087 7.174 1.00 12.79 H new ATOM 0 HE1 HIS A 68 5.663 6.345 9.707 1.00 14.75 H new ATOM 0 HE2 HIS A 68 6.790 4.424 8.498 1.00 16.30 H new ATOM 1096 N LEU A 69 3.854 4.554 4.290 1.00 5.29 N ATOM 1097 CA LEU A 69 4.883 3.990 3.474 1.00 3.97 C ATOM 1098 C LEU A 69 6.266 4.229 3.974 1.00 5.07 C ATOM 1099 O LEU A 69 6.839 5.316 4.032 1.00 4.34 O ATOM 1100 CB LEU A 69 4.685 4.564 2.061 1.00 6.08 C ATOM 1101 CG LEU A 69 5.775 4.224 1.031 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.740 2.727 0.682 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.467 5.026 -0.245 1.00 6.87 C ATOM 0 H LEU A 69 3.731 5.563 4.205 1.00 5.29 H new ATOM 0 HA LEU A 69 4.790 2.904 3.488 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.729 4.208 1.678 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.614 5.649 2.139 1.00 6.08 H new ATOM 0 HG LEU A 69 6.756 4.467 1.438 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.518 2.505 -0.048 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.910 2.139 1.584 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.766 2.474 0.263 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.222 4.810 -1.001 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.484 4.745 -0.623 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.477 6.092 -0.016 1.00 6.87 H new ATOM 1115 N VAL A 70 7.047 3.168 4.242 1.00 4.29 N ATOM 1116 CA VAL A 70 8.371 3.246 4.779 1.00 6.26 C ATOM 1117 C VAL A 70 9.088 2.148 4.071 1.00 9.22 C ATOM 1118 O VAL A 70 8.581 1.451 3.194 1.00 9.36 O ATOM 1119 CB VAL A 70 8.332 3.033 6.263 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.835 1.627 6.639 1.00 9.76 C ATOM 1121 CG2 VAL A 70 9.652 3.147 7.044 1.00 8.54 C ATOM 0 H VAL A 70 6.741 2.209 4.076 1.00 4.29 H new ATOM 0 HA VAL A 70 8.857 4.211 4.635 1.00 6.26 H new ATOM 0 HB VAL A 70 7.672 3.854 6.542 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.825 1.523 7.724 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.827 1.482 6.251 1.00 9.76 H new ATOM 0 HG13 VAL A 70 8.501 0.879 6.209 1.00 9.76 H new ATOM 0 HG21 VAL A 70 9.465 2.968 8.103 1.00 8.54 H new ATOM 0 HG22 VAL A 70 10.361 2.408 6.671 1.00 8.54 H new ATOM 0 HG23 VAL A 70 10.067 4.146 6.913 1.00 8.54 H new ATOM 1131 N LEU A 71 10.401 1.928 4.260 1.00 12.71 N ATOM 1132 CA LEU A 71 11.137 0.901 3.590 1.00 16.06 C ATOM 1133 C LEU A 71 11.339 -0.350 4.372 1.00 18.09 C ATOM 1134 O LEU A 71 11.320 -0.283 5.601 1.00 19.26 O ATOM 1135 CB LEU A 71 12.490 1.456 3.113 1.00 17.10 C ATOM 1136 CG LEU A 71 12.487 2.340 1.854 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.602 3.586 2.031 1.00 19.57 C ATOM 1138 CD2 LEU A 71 13.960 2.729 1.638 1.00 17.51 C ATOM 0 H LEU A 71 10.969 2.483 4.900 1.00 12.71 H new ATOM 0 HA LEU A 71 10.517 0.605 2.744 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.924 2.033 3.929 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.155 0.612 2.931 1.00 17.10 H new ATOM 0 HG LEU A 71 12.071 1.812 0.996 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.628 4.183 1.119 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.576 3.278 2.234 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.974 4.181 2.865 1.00 19.57 H new ATOM 0 HD21 LEU A 71 14.043 3.363 0.755 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.325 3.272 2.510 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.557 1.828 1.496 1.00 17.51 H new ATOM 1150 N ARG A 72 11.587 -1.502 3.724 1.00 21.47 N ATOM 1151 CA ARG A 72 11.983 -2.732 4.338 1.00 25.83 C ATOM 1152 C ARG A 72 13.453 -2.938 4.471 1.00 27.74 C ATOM 1153 O ARG A 72 14.227 -2.528 3.608 1.00 30.65 O ATOM 1154 CB ARG A 72 11.480 -3.808 3.362 1.00 28.49 C ATOM 1155 CG ARG A 72 11.145 -5.138 4.041 1.00 31.79 C ATOM 1156 CD ARG A 72 10.409 -6.146 3.155 1.00 34.05 C ATOM 1157 NE ARG A 72 11.260 -6.691 2.061 1.00 35.08 N ATOM 1158 CZ ARG A 72 11.987 -7.835 2.223 1.00 34.67 C ATOM 1159 NH1 ARG A 72 12.141 -8.488 3.412 1.00 35.02 N ATOM 1160 NH2 ARG A 72 12.713 -8.401 1.215 1.00 34.97 N ATOM 0 H ARG A 72 11.506 -1.579 2.710 1.00 21.47 H new ATOM 0 HA ARG A 72 11.585 -2.754 5.353 1.00 25.83 H new ATOM 0 HB2 ARG A 72 10.592 -3.437 2.850 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.240 -3.979 2.599 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.071 -5.593 4.392 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.535 -4.936 4.921 1.00 31.79 H new ATOM 0 HD2 ARG A 72 10.050 -6.969 3.772 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.532 -5.667 2.721 1.00 34.05 H new ATOM 0 HE ARG A 72 11.301 -6.198 1.169 1.00 35.08 H new ATOM 0 HH11 ARG A 72 11.697 -8.124 4.255 1.00 35.02 H new ATOM 0 HH12 ARG A 72 12.700 -9.340 3.457 1.00 35.02 H new ATOM 0 HH21 ARG A 72 12.728 -7.968 0.292 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.241 -9.257 1.385 1.00 34.97 H new ATOM 1174 N LEU A 73 13.838 -3.668 5.533 1.00 28.93 N ATOM 1175 CA LEU A 73 15.206 -4.044 5.714 1.00 30.76 C ATOM 1176 C LEU A 73 15.327 -5.490 5.376 1.00 32.18 C ATOM 1177 O LEU A 73 14.640 -6.380 5.876 1.00 32.31 O ATOM 1178 CB LEU A 73 15.727 -3.860 7.150 1.00 30.53 C ATOM 1179 CG LEU A 73 15.894 -2.404 7.616 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.463 -2.418 9.045 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.835 -1.626 6.680 1.00 29.57 C ATOM 0 H LEU A 73 13.206 -3.997 6.263 1.00 28.93 H new ATOM 0 HA LEU A 73 15.800 -3.393 5.072 1.00 30.76 H new ATOM 0 HB2 LEU A 73 15.043 -4.365 7.833 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.691 -4.362 7.235 1.00 30.53 H new ATOM 0 HG LEU A 73 14.925 -1.905 7.596 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.590 -1.394 9.396 1.00 29.11 H new ATOM 0 HD12 LEU A 73 15.775 -2.946 9.705 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.428 -2.924 9.047 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.934 -0.600 7.034 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.815 -2.103 6.671 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.424 -1.623 5.671 1.00 29.57 H new ATOM 1193 N ARG A 74 16.192 -5.759 4.381 1.00 33.82 N ATOM 1194 CA ARG A 74 16.314 -6.944 3.590 1.00 35.33 C ATOM 1195 C ARG A 74 17.530 -7.786 3.766 1.00 36.22 C ATOM 1196 O ARG A 74 18.539 -7.387 4.346 1.00 36.70 O ATOM 1197 CB ARG A 74 16.308 -6.476 2.124 1.00 36.91 C ATOM 1198 CG ARG A 74 15.206 -5.443 1.883 1.00 38.62 C ATOM 1199 CD ARG A 74 14.763 -5.338 0.423 1.00 39.75 C ATOM 1200 NE ARG A 74 15.734 -4.538 -0.376 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.730 -4.551 -1.741 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.075 -5.506 -2.463 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.640 -3.749 -2.368 1.00 41.93 N ATOM 0 H ARG A 74 16.884 -5.063 4.102 1.00 33.82 H new ATOM 0 HA ARG A 74 15.492 -7.585 3.908 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.277 -6.045 1.872 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.159 -7.332 1.466 1.00 36.91 H new ATOM 0 HG2 ARG A 74 14.342 -5.698 2.497 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.557 -4.467 2.217 1.00 38.62 H new ATOM 0 HD2 ARG A 74 14.670 -6.336 -0.005 1.00 39.75 H new ATOM 0 HD3 ARG A 74 13.777 -4.876 0.371 1.00 39.75 H new ATOM 0 HE ARG A 74 16.422 -3.964 0.112 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.563 -6.247 -1.983 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.097 -5.479 -3.482 1.00 42.75 H new ATOM 0 HH21 ARG A 74 17.281 -3.177 -1.817 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.679 -3.722 -3.387 1.00 41.93 H new ATOM 1217 N GLY A 75 17.462 -9.047 3.304 1.00 36.31 N ATOM 1218 CA GLY A 75 18.482 -10.045 3.396 1.00 36.07 C ATOM 1219 C GLY A 75 17.881 -11.398 3.225 1.00 36.16 C ATOM 1220 O GLY A 75 18.092 -12.058 2.209 1.00 36.26 O ATOM 0 H GLY A 75 16.629 -9.394 2.830 1.00 36.31 H new ATOM 0 HA2 GLY A 75 19.240 -9.875 2.632 1.00 36.07 H new ATOM 0 HA3 GLY A 75 18.982 -9.979 4.362 1.00 36.07 H new ATOM 1224 N GLY A 76 17.166 -11.860 4.266 1.00 36.05 N ATOM 1225 CA GLY A 76 16.402 -13.067 4.346 1.00 36.19 C ATOM 1226 C GLY A 76 14.908 -12.821 4.501 1.00 36.20 C ATOM 1227 O GLY A 76 14.475 -12.922 5.680 1.00 36.13 O ATOM 1228 OXT GLY A 76 14.214 -12.443 3.520 1.00 36.27 O ATOM 0 H GLY A 76 17.120 -11.334 5.138 1.00 36.05 H new ATOM 0 HA2 GLY A 76 16.575 -13.659 3.447 1.00 36.19 H new ATOM 0 HA3 GLY A 76 16.756 -13.658 5.190 1.00 36.19 H new TER 1232 GLY A 76