USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00569 USER MOD Single : A 8 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -1.49 (180deg=-4.23!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0.0119 (180deg=-0.0109) USER MOD Single : A 26 THR OG1 : rot 16:sc= -0.014 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.115 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.917! K(o=-0.92!,f=-1.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 49 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.701 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= -0.285 (180deg=-0.285) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= -0.483 (180deg=-0.483) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N LEU A 4 -16.806 4.224 4.081 1.00 0.83 N ATOM 41 CA LEU A 4 -15.542 3.965 4.749 1.00 0.76 C ATOM 42 C LEU A 4 -14.421 4.707 4.017 1.00 0.59 C ATOM 43 O LEU A 4 -13.770 5.578 4.593 1.00 0.72 O ATOM 44 CB LEU A 4 -15.301 2.459 4.876 1.00 1.22 C ATOM 45 CG LEU A 4 -14.056 2.043 5.662 1.00 0.91 C ATOM 46 CD1 LEU A 4 -12.787 2.267 4.839 1.00 1.55 C ATOM 47 CD2 LEU A 4 -13.997 2.757 7.014 1.00 2.32 C ATOM 0 HA LEU A 4 -15.566 4.348 5.769 1.00 0.76 H new ATOM 0 HB2 LEU A 4 -16.173 2.010 5.351 1.00 1.22 H new ATOM 0 HB3 LEU A 4 -15.232 2.036 3.874 1.00 1.22 H new ATOM 0 HG LEU A 4 -14.122 0.974 5.865 1.00 0.91 H new ATOM 0 HD11 LEU A 4 -11.917 1.963 5.421 1.00 1.55 H new ATOM 0 HD12 LEU A 4 -12.837 1.675 3.925 1.00 1.55 H new ATOM 0 HD13 LEU A 4 -12.701 3.323 4.583 1.00 1.55 H new ATOM 0 HD21 LEU A 4 -13.103 2.443 7.552 1.00 2.32 H new ATOM 0 HD22 LEU A 4 -13.966 3.835 6.855 1.00 2.32 H new ATOM 0 HD23 LEU A 4 -14.881 2.502 7.599 1.00 2.32 H new ATOM 59 N THR A 5 -14.232 4.336 2.760 1.00 0.76 N ATOM 60 CA THR A 5 -13.202 4.956 1.943 1.00 0.75 C ATOM 61 C THR A 5 -13.234 6.477 2.108 1.00 0.58 C ATOM 62 O THR A 5 -12.225 7.148 1.901 1.00 0.45 O ATOM 63 CB THR A 5 -13.405 4.497 0.498 1.00 1.09 C ATOM 64 OG1 THR A 5 -13.007 3.129 0.509 1.00 2.11 O ATOM 65 CG2 THR A 5 -12.425 5.163 -0.471 1.00 2.06 C ATOM 0 H THR A 5 -14.775 3.614 2.286 1.00 0.76 H new ATOM 0 HA THR A 5 -12.206 4.647 2.260 1.00 0.75 H new ATOM 0 HB THR A 5 -14.427 4.715 0.188 1.00 1.09 H new ATOM 0 HG1 THR A 5 -13.109 2.752 -0.390 1.00 2.11 H new ATOM 0 HG21 THR A 5 -12.612 4.803 -1.483 1.00 2.06 H new ATOM 0 HG22 THR A 5 -12.561 6.244 -0.440 1.00 2.06 H new ATOM 0 HG23 THR A 5 -11.403 4.917 -0.181 1.00 2.06 H new ATOM 73 N GLU A 6 -14.404 6.975 2.480 1.00 0.73 N ATOM 74 CA GLU A 6 -14.581 8.404 2.676 1.00 0.77 C ATOM 75 C GLU A 6 -13.572 8.928 3.699 1.00 0.61 C ATOM 76 O GLU A 6 -12.743 9.778 3.379 1.00 0.64 O ATOM 77 CB GLU A 6 -16.014 8.726 3.104 1.00 1.04 C ATOM 78 CG GLU A 6 -16.270 10.234 3.072 1.00 1.31 C ATOM 79 CD GLU A 6 -17.771 10.535 3.085 1.00 1.93 C ATOM 80 OE1 GLU A 6 -18.347 10.501 4.194 1.00 2.62 O ATOM 81 OE2 GLU A 6 -18.307 10.793 1.986 1.00 2.75 O ATOM 0 H GLU A 6 -15.239 6.414 2.651 1.00 0.73 H new ATOM 0 HA GLU A 6 -14.400 8.906 1.726 1.00 0.77 H new ATOM 0 HB2 GLU A 6 -16.717 8.220 2.443 1.00 1.04 H new ATOM 0 HB3 GLU A 6 -16.191 8.345 4.110 1.00 1.04 H new ATOM 0 HG2 GLU A 6 -15.793 10.706 3.931 1.00 1.31 H new ATOM 0 HG3 GLU A 6 -15.817 10.665 2.179 1.00 1.31 H new ATOM 88 N GLU A 7 -13.676 8.400 4.910 1.00 0.54 N ATOM 89 CA GLU A 7 -12.784 8.804 5.982 1.00 0.52 C ATOM 90 C GLU A 7 -11.371 8.274 5.726 1.00 0.46 C ATOM 91 O GLU A 7 -10.388 8.916 6.092 1.00 0.52 O ATOM 92 CB GLU A 7 -13.308 8.332 7.340 1.00 0.63 C ATOM 93 CG GLU A 7 -13.535 6.819 7.344 1.00 0.80 C ATOM 94 CD GLU A 7 -13.083 6.200 8.668 1.00 1.29 C ATOM 95 OE1 GLU A 7 -11.898 6.398 9.012 1.00 2.28 O ATOM 96 OE2 GLU A 7 -13.934 5.543 9.307 1.00 1.55 O ATOM 0 H GLU A 7 -14.365 7.695 5.172 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.745 9.893 6.003 1.00 0.52 H new ATOM 0 HB2 GLU A 7 -12.596 8.599 8.121 1.00 0.63 H new ATOM 0 HB3 GLU A 7 -14.242 8.844 7.571 1.00 0.63 H new ATOM 0 HG2 GLU A 7 -14.591 6.606 7.181 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -12.987 6.363 6.520 1.00 0.80 H new ATOM 103 N GLN A 8 -11.316 7.109 5.098 1.00 0.43 N ATOM 104 CA GLN A 8 -10.041 6.485 4.788 1.00 0.44 C ATOM 105 C GLN A 8 -9.245 7.359 3.817 1.00 0.42 C ATOM 106 O GLN A 8 -8.071 7.641 4.049 1.00 0.49 O ATOM 107 CB GLN A 8 -10.242 5.078 4.221 1.00 0.47 C ATOM 108 CG GLN A 8 -9.323 4.071 4.916 1.00 1.40 C ATOM 109 CD GLN A 8 -9.616 4.006 6.416 1.00 2.38 C ATOM 110 OE1 GLN A 8 -10.606 3.447 6.858 1.00 3.62 O ATOM 111 NE2 GLN A 8 -8.702 4.608 7.173 1.00 3.31 N ATOM 0 H GLN A 8 -12.134 6.580 4.795 1.00 0.43 H new ATOM 0 HA GLN A 8 -9.471 6.390 5.712 1.00 0.44 H new ATOM 0 HB2 GLN A 8 -11.281 4.776 4.348 1.00 0.47 H new ATOM 0 HB3 GLN A 8 -10.040 5.081 3.150 1.00 0.47 H new ATOM 0 HG2 GLN A 8 -9.457 3.084 4.473 1.00 1.40 H new ATOM 0 HG3 GLN A 8 -8.282 4.353 4.757 1.00 1.40 H new ATOM 0 HE21 GLN A 8 -7.896 5.058 6.739 1.00 3.31 H new ATOM 0 HE22 GLN A 8 -8.807 4.620 8.187 1.00 3.31 H new ATOM 120 N ILE A 9 -9.917 7.764 2.749 1.00 0.40 N ATOM 121 CA ILE A 9 -9.287 8.600 1.741 1.00 0.42 C ATOM 122 C ILE A 9 -8.587 9.776 2.425 1.00 0.41 C ATOM 123 O ILE A 9 -7.442 10.093 2.106 1.00 0.61 O ATOM 124 CB ILE A 9 -10.306 9.023 0.682 1.00 0.57 C ATOM 125 CG1 ILE A 9 -10.507 7.918 -0.358 1.00 1.37 C ATOM 126 CG2 ILE A 9 -9.908 10.352 0.036 1.00 2.14 C ATOM 127 CD1 ILE A 9 -11.372 8.410 -1.520 1.00 2.52 C ATOM 0 H ILE A 9 -10.891 7.529 2.560 1.00 0.40 H new ATOM 0 HA ILE A 9 -8.521 8.039 1.206 1.00 0.42 H new ATOM 0 HB ILE A 9 -11.265 9.180 1.175 1.00 0.57 H new ATOM 0 HG12 ILE A 9 -9.539 7.588 -0.735 1.00 1.37 H new ATOM 0 HG13 ILE A 9 -10.978 7.054 0.111 1.00 1.37 H new ATOM 0 HG21 ILE A 9 -10.650 10.629 -0.713 1.00 2.14 H new ATOM 0 HG22 ILE A 9 -9.857 11.127 0.800 1.00 2.14 H new ATOM 0 HG23 ILE A 9 -8.933 10.248 -0.440 1.00 2.14 H new ATOM 0 HD11 ILE A 9 -11.499 7.606 -2.245 1.00 2.52 H new ATOM 0 HD12 ILE A 9 -12.348 8.717 -1.143 1.00 2.52 H new ATOM 0 HD13 ILE A 9 -10.886 9.259 -2.001 1.00 2.52 H new ATOM 139 N ALA A 10 -9.306 10.392 3.353 1.00 0.41 N ATOM 140 CA ALA A 10 -8.768 11.527 4.084 1.00 0.44 C ATOM 141 C ALA A 10 -7.372 11.178 4.604 1.00 0.43 C ATOM 142 O ALA A 10 -6.434 11.958 4.448 1.00 0.56 O ATOM 143 CB ALA A 10 -9.730 11.911 5.210 1.00 0.50 C ATOM 0 H ALA A 10 -10.255 10.127 3.615 1.00 0.41 H new ATOM 0 HA ALA A 10 -8.669 12.393 3.430 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -9.327 12.762 5.759 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -10.698 12.178 4.786 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.851 11.067 5.889 1.00 0.50 H new ATOM 149 N GLU A 11 -7.278 10.004 5.213 1.00 0.44 N ATOM 150 CA GLU A 11 -6.013 9.543 5.757 1.00 0.57 C ATOM 151 C GLU A 11 -5.050 9.179 4.625 1.00 0.45 C ATOM 152 O GLU A 11 -3.898 9.610 4.622 1.00 0.48 O ATOM 153 CB GLU A 11 -6.222 8.357 6.701 1.00 0.79 C ATOM 154 CG GLU A 11 -6.530 8.836 8.121 1.00 1.18 C ATOM 155 CD GLU A 11 -6.936 7.664 9.019 1.00 1.56 C ATOM 156 OE1 GLU A 11 -7.656 6.780 8.507 1.00 2.51 O ATOM 157 OE2 GLU A 11 -6.515 7.679 10.196 1.00 2.11 O ATOM 0 H GLU A 11 -8.058 9.359 5.341 1.00 0.44 H new ATOM 0 HA GLU A 11 -5.572 10.354 6.337 1.00 0.57 H new ATOM 0 HB2 GLU A 11 -7.041 7.737 6.337 1.00 0.79 H new ATOM 0 HB3 GLU A 11 -5.329 7.732 6.710 1.00 0.79 H new ATOM 0 HG2 GLU A 11 -5.655 9.333 8.539 1.00 1.18 H new ATOM 0 HG3 GLU A 11 -7.332 9.573 8.094 1.00 1.18 H new ATOM 164 N PHE A 12 -5.557 8.388 3.690 1.00 0.40 N ATOM 165 CA PHE A 12 -4.757 7.962 2.555 1.00 0.42 C ATOM 166 C PHE A 12 -4.183 9.165 1.805 1.00 0.40 C ATOM 167 O PHE A 12 -3.006 9.176 1.448 1.00 0.54 O ATOM 168 CB PHE A 12 -5.686 7.187 1.618 1.00 0.48 C ATOM 169 CG PHE A 12 -6.120 5.824 2.160 1.00 0.84 C ATOM 170 CD1 PHE A 12 -5.236 5.051 2.846 1.00 0.98 C ATOM 171 CD2 PHE A 12 -7.391 5.385 1.956 1.00 2.36 C ATOM 172 CE1 PHE A 12 -5.640 3.786 3.349 1.00 1.09 C ATOM 173 CE2 PHE A 12 -7.795 4.120 2.459 1.00 3.03 C ATOM 174 CZ PHE A 12 -6.911 3.347 3.145 1.00 2.11 C ATOM 0 H PHE A 12 -6.513 8.031 3.696 1.00 0.40 H new ATOM 0 HA PHE A 12 -3.922 7.350 2.898 1.00 0.42 H new ATOM 0 HB2 PHE A 12 -6.574 7.789 1.424 1.00 0.48 H new ATOM 0 HB3 PHE A 12 -5.183 7.043 0.662 1.00 0.48 H new ATOM 0 HD1 PHE A 12 -4.227 5.399 3.008 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -8.093 5.999 1.411 1.00 2.36 H new ATOM 0 HE1 PHE A 12 -4.938 3.172 3.894 1.00 1.09 H new ATOM 0 HE2 PHE A 12 -8.804 3.772 2.297 1.00 3.03 H new ATOM 0 HZ PHE A 12 -7.218 2.385 3.528 1.00 2.11 H new ATOM 184 N LYS A 13 -5.042 10.151 1.588 1.00 0.43 N ATOM 185 CA LYS A 13 -4.635 11.357 0.887 1.00 0.49 C ATOM 186 C LYS A 13 -3.260 11.796 1.392 1.00 0.52 C ATOM 187 O LYS A 13 -2.304 11.863 0.621 1.00 0.58 O ATOM 188 CB LYS A 13 -5.711 12.438 1.013 1.00 0.51 C ATOM 189 CG LYS A 13 -5.740 13.329 -0.231 1.00 0.74 C ATOM 190 CD LYS A 13 -6.930 12.980 -1.127 1.00 1.11 C ATOM 191 CE LYS A 13 -8.123 13.894 -0.835 1.00 1.79 C ATOM 192 NZ LYS A 13 -8.985 13.302 0.212 1.00 3.59 N ATOM 0 H LYS A 13 -6.018 10.139 1.885 1.00 0.43 H new ATOM 0 HA LYS A 13 -4.535 11.162 -0.181 1.00 0.49 H new ATOM 0 HB2 LYS A 13 -6.686 11.971 1.153 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -5.519 13.047 1.897 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.800 14.375 0.068 1.00 0.74 H new ATOM 0 HG3 LYS A 13 -4.812 13.210 -0.790 1.00 0.74 H new ATOM 0 HD2 LYS A 13 -6.642 13.075 -2.174 1.00 1.11 H new ATOM 0 HD3 LYS A 13 -7.216 11.940 -0.969 1.00 1.11 H new ATOM 0 HE2 LYS A 13 -7.768 14.873 -0.512 1.00 1.79 H new ATOM 0 HE3 LYS A 13 -8.701 14.049 -1.746 1.00 1.79 H new ATOM 0 HZ1 LYS A 13 -9.890 13.009 -0.208 1.00 3.59 H new ATOM 0 HZ2 LYS A 13 -8.511 12.473 0.625 1.00 3.59 H new ATOM 0 HZ3 LYS A 13 -9.161 14.007 0.956 1.00 3.59 H new ATOM 206 N GLU A 14 -3.203 12.084 2.684 1.00 0.50 N ATOM 207 CA GLU A 14 -1.960 12.515 3.301 1.00 0.55 C ATOM 208 C GLU A 14 -0.984 11.342 3.404 1.00 0.54 C ATOM 209 O GLU A 14 0.137 11.417 2.903 1.00 0.78 O ATOM 210 CB GLU A 14 -2.217 13.136 4.676 1.00 0.61 C ATOM 211 CG GLU A 14 -2.484 14.638 4.558 1.00 1.51 C ATOM 212 CD GLU A 14 -1.203 15.443 4.784 1.00 2.23 C ATOM 213 OE1 GLU A 14 -0.346 15.413 3.874 1.00 3.63 O ATOM 214 OE2 GLU A 14 -1.109 16.069 5.862 1.00 2.52 O ATOM 0 H GLU A 14 -3.998 12.027 3.321 1.00 0.50 H new ATOM 0 HA GLU A 14 -1.511 13.282 2.670 1.00 0.55 H new ATOM 0 HB2 GLU A 14 -3.070 12.647 5.146 1.00 0.61 H new ATOM 0 HB3 GLU A 14 -1.356 12.966 5.323 1.00 0.61 H new ATOM 0 HG2 GLU A 14 -2.889 14.862 3.571 1.00 1.51 H new ATOM 0 HG3 GLU A 14 -3.238 14.935 5.287 1.00 1.51 H new ATOM 221 N ALA A 15 -1.445 10.285 4.056 1.00 0.57 N ATOM 222 CA ALA A 15 -0.626 9.097 4.230 1.00 0.63 C ATOM 223 C ALA A 15 0.163 8.834 2.945 1.00 0.61 C ATOM 224 O ALA A 15 1.365 8.579 2.992 1.00 0.62 O ATOM 225 CB ALA A 15 -1.516 7.916 4.620 1.00 0.68 C ATOM 0 H ALA A 15 -2.375 10.226 4.470 1.00 0.57 H new ATOM 0 HA ALA A 15 0.094 9.242 5.035 1.00 0.63 H new ATOM 0 HB1 ALA A 15 -0.902 7.025 4.750 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -2.031 8.141 5.554 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -2.250 7.739 3.834 1.00 0.68 H new ATOM 231 N PHE A 16 -0.547 8.903 1.829 1.00 0.62 N ATOM 232 CA PHE A 16 0.072 8.675 0.534 1.00 0.65 C ATOM 233 C PHE A 16 1.511 9.193 0.515 1.00 0.59 C ATOM 234 O PHE A 16 2.444 8.435 0.251 1.00 0.74 O ATOM 235 CB PHE A 16 -0.750 9.452 -0.497 1.00 0.74 C ATOM 236 CG PHE A 16 -0.174 9.407 -1.914 1.00 0.93 C ATOM 237 CD1 PHE A 16 -0.144 8.233 -2.599 1.00 0.69 C ATOM 238 CD2 PHE A 16 0.309 10.541 -2.488 1.00 1.54 C ATOM 239 CE1 PHE A 16 0.391 8.191 -3.914 1.00 0.95 C ATOM 240 CE2 PHE A 16 0.844 10.500 -3.803 1.00 1.83 C ATOM 241 CZ PHE A 16 0.874 9.325 -4.488 1.00 1.49 C ATOM 0 H PHE A 16 -1.544 9.113 1.794 1.00 0.62 H new ATOM 0 HA PHE A 16 0.096 7.607 0.316 1.00 0.65 H new ATOM 0 HB2 PHE A 16 -1.764 9.051 -0.515 1.00 0.74 H new ATOM 0 HB3 PHE A 16 -0.824 10.492 -0.179 1.00 0.74 H new ATOM 0 HD1 PHE A 16 -0.527 7.332 -2.143 1.00 0.69 H new ATOM 0 HD2 PHE A 16 0.286 11.473 -1.944 1.00 1.54 H new ATOM 0 HE1 PHE A 16 0.414 7.258 -4.458 1.00 0.95 H new ATOM 0 HE2 PHE A 16 1.227 11.401 -4.259 1.00 1.83 H new ATOM 0 HZ PHE A 16 1.281 9.293 -5.488 1.00 1.49 H new ATOM 251 N SER A 17 1.648 10.480 0.798 1.00 0.52 N ATOM 252 CA SER A 17 2.958 11.107 0.817 1.00 0.48 C ATOM 253 C SER A 17 3.992 10.141 1.399 1.00 0.42 C ATOM 254 O SER A 17 5.072 9.969 0.835 1.00 0.44 O ATOM 255 CB SER A 17 2.935 12.408 1.623 1.00 0.52 C ATOM 256 OG SER A 17 3.890 13.350 1.143 1.00 1.31 O ATOM 0 H SER A 17 0.873 11.106 1.016 1.00 0.52 H new ATOM 0 HA SER A 17 3.235 11.351 -0.209 1.00 0.48 H new ATOM 0 HB2 SER A 17 1.938 12.846 1.576 1.00 0.52 H new ATOM 0 HB3 SER A 17 3.137 12.189 2.671 1.00 0.52 H new ATOM 0 HG SER A 17 3.843 14.167 1.682 1.00 1.31 H new ATOM 262 N LEU A 18 3.626 9.536 2.519 1.00 0.41 N ATOM 263 CA LEU A 18 4.508 8.591 3.182 1.00 0.41 C ATOM 264 C LEU A 18 4.609 7.317 2.342 1.00 0.41 C ATOM 265 O LEU A 18 5.700 6.922 1.936 1.00 0.45 O ATOM 266 CB LEU A 18 4.046 8.345 4.620 1.00 0.45 C ATOM 267 CG LEU A 18 3.994 9.576 5.528 1.00 0.63 C ATOM 268 CD1 LEU A 18 2.796 9.507 6.477 1.00 1.10 C ATOM 269 CD2 LEU A 18 5.313 9.756 6.282 1.00 0.92 C ATOM 0 H LEU A 18 2.730 9.682 2.984 1.00 0.41 H new ATOM 0 HA LEU A 18 5.515 9.001 3.261 1.00 0.41 H new ATOM 0 HB2 LEU A 18 3.052 7.898 4.590 1.00 0.45 H new ATOM 0 HB3 LEU A 18 4.712 7.611 5.074 1.00 0.45 H new ATOM 0 HG LEU A 18 3.858 10.458 4.902 1.00 0.63 H new ATOM 0 HD11 LEU A 18 2.783 10.394 7.111 1.00 1.10 H new ATOM 0 HD12 LEU A 18 1.874 9.462 5.897 1.00 1.10 H new ATOM 0 HD13 LEU A 18 2.876 8.616 7.100 1.00 1.10 H new ATOM 0 HD21 LEU A 18 5.250 10.637 6.920 1.00 0.92 H new ATOM 0 HD22 LEU A 18 5.504 8.876 6.896 1.00 0.92 H new ATOM 0 HD23 LEU A 18 6.126 9.883 5.567 1.00 0.92 H new ATOM 281 N PHE A 19 3.456 6.708 2.107 1.00 0.41 N ATOM 282 CA PHE A 19 3.400 5.486 1.323 1.00 0.46 C ATOM 283 C PHE A 19 4.282 5.594 0.077 1.00 0.42 C ATOM 284 O PHE A 19 5.146 4.750 -0.151 1.00 0.54 O ATOM 285 CB PHE A 19 1.945 5.299 0.889 1.00 0.55 C ATOM 286 CG PHE A 19 0.992 4.958 2.036 1.00 1.10 C ATOM 287 CD1 PHE A 19 1.445 4.258 3.110 1.00 1.47 C ATOM 288 CD2 PHE A 19 -0.307 5.354 1.982 1.00 2.30 C ATOM 289 CE1 PHE A 19 0.561 3.941 4.175 1.00 2.04 C ATOM 290 CE2 PHE A 19 -1.192 5.038 3.047 1.00 2.96 C ATOM 291 CZ PHE A 19 -0.739 4.338 4.121 1.00 2.56 C ATOM 0 H PHE A 19 2.553 7.038 2.446 1.00 0.41 H new ATOM 0 HA PHE A 19 3.758 4.645 1.917 1.00 0.46 H new ATOM 0 HB2 PHE A 19 1.601 6.213 0.404 1.00 0.55 H new ATOM 0 HB3 PHE A 19 1.898 4.505 0.143 1.00 0.55 H new ATOM 0 HD1 PHE A 19 2.477 3.943 3.153 1.00 1.47 H new ATOM 0 HD2 PHE A 19 -0.667 5.909 1.128 1.00 2.30 H new ATOM 0 HE1 PHE A 19 0.921 3.385 5.028 1.00 2.04 H new ATOM 0 HE2 PHE A 19 -2.224 5.353 3.004 1.00 2.96 H new ATOM 0 HZ PHE A 19 -1.411 4.097 4.931 1.00 2.56 H new ATOM 301 N ASP A 20 4.033 6.641 -0.697 1.00 0.43 N ATOM 302 CA ASP A 20 4.793 6.870 -1.913 1.00 0.43 C ATOM 303 C ASP A 20 6.172 7.424 -1.551 1.00 0.46 C ATOM 304 O ASP A 20 6.322 8.622 -1.318 1.00 0.83 O ATOM 305 CB ASP A 20 4.095 7.891 -2.815 1.00 0.57 C ATOM 306 CG ASP A 20 4.471 7.809 -4.296 1.00 0.63 C ATOM 307 OD1 ASP A 20 5.418 7.052 -4.600 1.00 0.66 O ATOM 308 OD2 ASP A 20 3.803 8.505 -5.090 1.00 0.92 O ATOM 0 H ASP A 20 3.315 7.340 -0.505 1.00 0.43 H new ATOM 0 HA ASP A 20 4.878 5.920 -2.441 1.00 0.43 H new ATOM 0 HB2 ASP A 20 3.017 7.759 -2.721 1.00 0.57 H new ATOM 0 HB3 ASP A 20 4.326 8.892 -2.452 1.00 0.57 H new ATOM 313 N LYS A 21 7.145 6.525 -1.516 1.00 0.53 N ATOM 314 CA LYS A 21 8.507 6.909 -1.186 1.00 0.69 C ATOM 315 C LYS A 21 9.128 7.643 -2.376 1.00 0.56 C ATOM 316 O LYS A 21 9.606 8.767 -2.235 1.00 0.80 O ATOM 317 CB LYS A 21 9.311 5.691 -0.727 1.00 0.95 C ATOM 318 CG LYS A 21 8.523 4.866 0.293 1.00 0.78 C ATOM 319 CD LYS A 21 8.537 5.536 1.669 1.00 0.84 C ATOM 320 CE LYS A 21 7.560 4.849 2.624 1.00 1.12 C ATOM 321 NZ LYS A 21 7.533 5.547 3.929 1.00 1.64 N ATOM 0 H LYS A 21 7.017 5.532 -1.711 1.00 0.53 H new ATOM 0 HA LYS A 21 8.514 7.602 -0.345 1.00 0.69 H new ATOM 0 HB2 LYS A 21 9.560 5.070 -1.587 1.00 0.95 H new ATOM 0 HB3 LYS A 21 10.253 6.018 -0.286 1.00 0.95 H new ATOM 0 HG2 LYS A 21 7.494 4.747 -0.047 1.00 0.78 H new ATOM 0 HG3 LYS A 21 8.952 3.867 0.367 1.00 0.78 H new ATOM 0 HD2 LYS A 21 9.544 5.499 2.085 1.00 0.84 H new ATOM 0 HD3 LYS A 21 8.272 6.588 1.568 1.00 0.84 H new ATOM 0 HE2 LYS A 21 6.561 4.842 2.188 1.00 1.12 H new ATOM 0 HE3 LYS A 21 7.853 3.809 2.767 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 7.168 4.903 4.660 1.00 1.64 H new ATOM 0 HZ2 LYS A 21 8.496 5.847 4.182 1.00 1.64 H new ATOM 0 HZ3 LYS A 21 6.916 6.382 3.863 1.00 1.64 H new ATOM 335 N ASP A 22 9.100 6.977 -3.521 1.00 0.50 N ATOM 336 CA ASP A 22 9.654 7.552 -4.735 1.00 0.44 C ATOM 337 C ASP A 22 9.104 8.967 -4.921 1.00 0.41 C ATOM 338 O ASP A 22 9.867 9.929 -4.989 1.00 0.59 O ATOM 339 CB ASP A 22 9.264 6.727 -5.963 1.00 0.57 C ATOM 340 CG ASP A 22 10.301 5.694 -6.405 1.00 1.35 C ATOM 341 OD1 ASP A 22 11.500 5.951 -6.158 1.00 2.23 O ATOM 342 OD2 ASP A 22 9.873 4.670 -6.980 1.00 1.63 O ATOM 0 H ASP A 22 8.702 6.045 -3.634 1.00 0.50 H new ATOM 0 HA ASP A 22 10.740 7.563 -4.638 1.00 0.44 H new ATOM 0 HB2 ASP A 22 8.327 6.212 -5.753 1.00 0.57 H new ATOM 0 HB3 ASP A 22 9.074 7.407 -6.793 1.00 0.57 H new ATOM 347 N GLY A 23 7.784 9.049 -4.997 1.00 0.40 N ATOM 348 CA GLY A 23 7.123 10.331 -5.174 1.00 0.50 C ATOM 349 C GLY A 23 6.709 10.538 -6.632 1.00 0.57 C ATOM 350 O GLY A 23 6.766 11.654 -7.146 1.00 0.70 O ATOM 0 H GLY A 23 7.154 8.249 -4.939 1.00 0.40 H new ATOM 0 HA2 GLY A 23 6.244 10.382 -4.532 1.00 0.50 H new ATOM 0 HA3 GLY A 23 7.791 11.135 -4.864 1.00 0.50 H new ATOM 354 N ASP A 24 6.301 9.444 -7.259 1.00 0.56 N ATOM 355 CA ASP A 24 5.877 9.491 -8.648 1.00 0.72 C ATOM 356 C ASP A 24 4.382 9.177 -8.732 1.00 0.79 C ATOM 357 O ASP A 24 3.661 9.782 -9.524 1.00 1.46 O ATOM 358 CB ASP A 24 6.626 8.454 -9.488 1.00 0.78 C ATOM 359 CG ASP A 24 6.974 7.157 -8.754 1.00 0.88 C ATOM 360 OD1 ASP A 24 6.054 6.600 -8.118 1.00 0.67 O ATOM 361 OD2 ASP A 24 8.154 6.753 -8.846 1.00 1.76 O ATOM 0 H ASP A 24 6.255 8.520 -6.830 1.00 0.56 H new ATOM 0 HA ASP A 24 6.091 10.489 -9.032 1.00 0.72 H new ATOM 0 HB2 ASP A 24 6.020 8.209 -10.360 1.00 0.78 H new ATOM 0 HB3 ASP A 24 7.548 8.904 -9.856 1.00 0.78 H new ATOM 366 N GLY A 25 3.961 8.233 -7.904 1.00 0.39 N ATOM 367 CA GLY A 25 2.565 7.831 -7.874 1.00 0.46 C ATOM 368 C GLY A 25 2.429 6.310 -7.968 1.00 0.49 C ATOM 369 O GLY A 25 1.535 5.804 -8.644 1.00 0.95 O ATOM 0 H GLY A 25 4.562 7.734 -7.248 1.00 0.39 H new ATOM 0 HA2 GLY A 25 2.101 8.185 -6.953 1.00 0.46 H new ATOM 0 HA3 GLY A 25 2.030 8.299 -8.701 1.00 0.46 H new ATOM 373 N THR A 26 3.330 5.624 -7.280 1.00 0.45 N ATOM 374 CA THR A 26 3.323 4.171 -7.278 1.00 0.42 C ATOM 375 C THR A 26 4.071 3.636 -6.056 1.00 0.41 C ATOM 376 O THR A 26 5.240 3.957 -5.849 1.00 0.52 O ATOM 377 CB THR A 26 3.910 3.693 -8.608 1.00 0.46 C ATOM 378 OG1 THR A 26 5.054 4.522 -8.800 1.00 1.15 O ATOM 379 CG2 THR A 26 3.008 4.022 -9.799 1.00 1.03 C ATOM 0 H THR A 26 4.070 6.048 -6.720 1.00 0.45 H new ATOM 0 HA THR A 26 2.309 3.781 -7.195 1.00 0.42 H new ATOM 0 HB THR A 26 4.076 2.617 -8.565 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.291 4.954 -7.953 1.00 1.15 H new ATOM 0 HG21 THR A 26 3.472 3.661 -10.717 1.00 1.03 H new ATOM 0 HG22 THR A 26 2.040 3.539 -9.667 1.00 1.03 H new ATOM 0 HG23 THR A 26 2.869 5.101 -9.863 1.00 1.03 H new ATOM 387 N ILE A 27 3.366 2.828 -5.277 1.00 0.38 N ATOM 388 CA ILE A 27 3.948 2.245 -4.081 1.00 0.39 C ATOM 389 C ILE A 27 4.669 0.948 -4.450 1.00 0.36 C ATOM 390 O ILE A 27 4.135 -0.142 -4.252 1.00 0.53 O ATOM 391 CB ILE A 27 2.883 2.069 -2.997 1.00 0.42 C ATOM 392 CG1 ILE A 27 2.553 3.406 -2.330 1.00 0.51 C ATOM 393 CG2 ILE A 27 3.307 1.010 -1.978 1.00 0.45 C ATOM 394 CD1 ILE A 27 1.635 4.250 -3.217 1.00 0.79 C ATOM 0 H ILE A 27 2.396 2.564 -5.452 1.00 0.38 H new ATOM 0 HA ILE A 27 4.695 2.916 -3.656 1.00 0.39 H new ATOM 0 HB ILE A 27 1.969 1.711 -3.472 1.00 0.42 H new ATOM 0 HG12 ILE A 27 2.072 3.228 -1.368 1.00 0.51 H new ATOM 0 HG13 ILE A 27 3.474 3.953 -2.129 1.00 0.51 H new ATOM 0 HG21 ILE A 27 2.532 0.905 -1.219 1.00 0.45 H new ATOM 0 HG22 ILE A 27 3.451 0.055 -2.484 1.00 0.45 H new ATOM 0 HG23 ILE A 27 4.240 1.314 -1.504 1.00 0.45 H new ATOM 0 HD11 ILE A 27 1.416 5.195 -2.719 1.00 0.79 H new ATOM 0 HD12 ILE A 27 2.129 4.447 -4.168 1.00 0.79 H new ATOM 0 HD13 ILE A 27 0.705 3.710 -3.396 1.00 0.79 H new ATOM 406 N THR A 28 5.873 1.107 -4.981 1.00 0.25 N ATOM 407 CA THR A 28 6.673 -0.038 -5.380 1.00 0.27 C ATOM 408 C THR A 28 6.662 -1.105 -4.283 1.00 0.29 C ATOM 409 O THR A 28 6.529 -0.785 -3.103 1.00 0.37 O ATOM 410 CB THR A 28 8.076 0.463 -5.726 1.00 0.33 C ATOM 411 OG1 THR A 28 7.877 1.295 -6.866 1.00 0.54 O ATOM 412 CG2 THR A 28 8.988 -0.655 -6.235 1.00 0.42 C ATOM 0 H THR A 28 6.314 2.012 -5.144 1.00 0.25 H new ATOM 0 HA THR A 28 6.258 -0.522 -6.264 1.00 0.27 H new ATOM 0 HB THR A 28 8.524 0.924 -4.846 1.00 0.33 H new ATOM 0 HG1 THR A 28 8.737 1.664 -7.156 1.00 0.54 H new ATOM 0 HG21 THR A 28 9.971 -0.246 -6.466 1.00 0.42 H new ATOM 0 HG22 THR A 28 9.086 -1.423 -5.467 1.00 0.42 H new ATOM 0 HG23 THR A 28 8.557 -1.094 -7.135 1.00 0.42 H new ATOM 420 N THR A 29 6.803 -2.350 -4.712 1.00 0.32 N ATOM 421 CA THR A 29 6.810 -3.466 -3.781 1.00 0.41 C ATOM 422 C THR A 29 7.770 -3.187 -2.623 1.00 0.44 C ATOM 423 O THR A 29 7.408 -3.351 -1.459 1.00 0.47 O ATOM 424 CB THR A 29 7.156 -4.733 -4.565 1.00 0.50 C ATOM 425 OG1 THR A 29 8.491 -4.511 -5.013 1.00 0.51 O ATOM 426 CG2 THR A 29 6.346 -4.863 -5.857 1.00 0.52 C ATOM 0 H THR A 29 6.913 -2.611 -5.692 1.00 0.32 H new ATOM 0 HA THR A 29 5.831 -3.607 -3.324 1.00 0.41 H new ATOM 0 HB THR A 29 6.980 -5.607 -3.937 1.00 0.50 H new ATOM 0 HG1 THR A 29 8.796 -5.286 -5.530 1.00 0.51 H new ATOM 0 HG21 THR A 29 6.631 -5.779 -6.374 1.00 0.52 H new ATOM 0 HG22 THR A 29 5.283 -4.897 -5.618 1.00 0.52 H new ATOM 0 HG23 THR A 29 6.547 -4.006 -6.500 1.00 0.52 H new ATOM 434 N LYS A 30 8.975 -2.770 -2.982 1.00 0.53 N ATOM 435 CA LYS A 30 9.990 -2.467 -1.987 1.00 0.65 C ATOM 436 C LYS A 30 9.547 -1.254 -1.166 1.00 0.62 C ATOM 437 O LYS A 30 9.815 -1.179 0.032 1.00 0.66 O ATOM 438 CB LYS A 30 11.357 -2.294 -2.651 1.00 0.84 C ATOM 439 CG LYS A 30 11.507 -0.889 -3.239 1.00 0.91 C ATOM 440 CD LYS A 30 12.661 -0.835 -4.242 1.00 0.95 C ATOM 441 CE LYS A 30 12.228 -1.378 -5.606 1.00 2.73 C ATOM 442 NZ LYS A 30 13.394 -1.500 -6.509 1.00 3.34 N ATOM 0 H LYS A 30 9.272 -2.635 -3.948 1.00 0.53 H new ATOM 0 HA LYS A 30 10.102 -3.299 -1.292 1.00 0.65 H new ATOM 0 HB2 LYS A 30 12.146 -2.472 -1.920 1.00 0.84 H new ATOM 0 HB3 LYS A 30 11.479 -3.037 -3.439 1.00 0.84 H new ATOM 0 HG2 LYS A 30 10.579 -0.596 -3.730 1.00 0.91 H new ATOM 0 HG3 LYS A 30 11.684 -0.172 -2.437 1.00 0.91 H new ATOM 0 HD2 LYS A 30 13.007 0.193 -4.349 1.00 0.95 H new ATOM 0 HD3 LYS A 30 13.502 -1.417 -3.865 1.00 0.95 H new ATOM 0 HE2 LYS A 30 11.753 -2.351 -5.482 1.00 2.73 H new ATOM 0 HE3 LYS A 30 11.485 -0.715 -6.049 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 13.083 -1.870 -7.430 1.00 3.34 H new ATOM 0 HZ2 LYS A 30 13.830 -0.565 -6.641 1.00 3.34 H new ATOM 0 HZ3 LYS A 30 14.090 -2.151 -6.092 1.00 3.34 H new ATOM 456 N GLU A 31 8.876 -0.335 -1.844 1.00 0.61 N ATOM 457 CA GLU A 31 8.393 0.871 -1.193 1.00 0.63 C ATOM 458 C GLU A 31 7.362 0.518 -0.119 1.00 0.51 C ATOM 459 O GLU A 31 7.216 1.238 0.868 1.00 0.54 O ATOM 460 CB GLU A 31 7.808 1.849 -2.214 1.00 0.70 C ATOM 461 CG GLU A 31 8.914 2.657 -2.895 1.00 0.90 C ATOM 462 CD GLU A 31 8.324 3.696 -3.851 1.00 0.82 C ATOM 463 OE1 GLU A 31 7.192 4.146 -3.572 1.00 1.64 O ATOM 464 OE2 GLU A 31 9.019 4.017 -4.839 1.00 2.09 O ATOM 0 H GLU A 31 8.655 -0.401 -2.838 1.00 0.61 H new ATOM 0 HA GLU A 31 9.238 1.363 -0.711 1.00 0.63 H new ATOM 0 HB2 GLU A 31 7.239 1.300 -2.964 1.00 0.70 H new ATOM 0 HB3 GLU A 31 7.112 2.525 -1.718 1.00 0.70 H new ATOM 0 HG2 GLU A 31 9.522 3.156 -2.140 1.00 0.90 H new ATOM 0 HG3 GLU A 31 9.574 1.986 -3.444 1.00 0.90 H new ATOM 471 N LEU A 32 6.673 -0.591 -0.347 1.00 0.43 N ATOM 472 CA LEU A 32 5.660 -1.048 0.589 1.00 0.35 C ATOM 473 C LEU A 32 6.330 -1.438 1.909 1.00 0.31 C ATOM 474 O LEU A 32 5.897 -1.011 2.978 1.00 0.37 O ATOM 475 CB LEU A 32 4.825 -2.170 -0.031 1.00 0.36 C ATOM 476 CG LEU A 32 3.908 -2.932 0.927 1.00 0.51 C ATOM 477 CD1 LEU A 32 2.824 -2.014 1.496 1.00 2.04 C ATOM 478 CD2 LEU A 32 3.314 -4.169 0.250 1.00 2.19 C ATOM 0 H LEU A 32 6.797 -1.186 -1.166 1.00 0.43 H new ATOM 0 HA LEU A 32 4.958 -0.245 0.812 1.00 0.35 H new ATOM 0 HB2 LEU A 32 4.213 -1.744 -0.826 1.00 0.36 H new ATOM 0 HB3 LEU A 32 5.503 -2.884 -0.499 1.00 0.36 H new ATOM 0 HG LEU A 32 4.507 -3.281 1.768 1.00 0.51 H new ATOM 0 HD11 LEU A 32 2.186 -2.581 2.174 1.00 2.04 H new ATOM 0 HD12 LEU A 32 3.291 -1.193 2.039 1.00 2.04 H new ATOM 0 HD13 LEU A 32 2.222 -1.614 0.681 1.00 2.04 H new ATOM 0 HD21 LEU A 32 2.666 -4.693 0.953 1.00 2.19 H new ATOM 0 HD22 LEU A 32 2.733 -3.864 -0.621 1.00 2.19 H new ATOM 0 HD23 LEU A 32 4.119 -4.833 -0.065 1.00 2.19 H new ATOM 490 N GLY A 33 7.375 -2.244 1.790 1.00 0.32 N ATOM 491 CA GLY A 33 8.108 -2.696 2.960 1.00 0.35 C ATOM 492 C GLY A 33 8.631 -1.509 3.771 1.00 0.35 C ATOM 493 O GLY A 33 8.688 -1.568 4.999 1.00 0.52 O ATOM 0 H GLY A 33 7.731 -2.596 0.901 1.00 0.32 H new ATOM 0 HA2 GLY A 33 7.460 -3.311 3.585 1.00 0.35 H new ATOM 0 HA3 GLY A 33 8.942 -3.325 2.650 1.00 0.35 H new ATOM 497 N THR A 34 9.000 -0.458 3.053 1.00 0.34 N ATOM 498 CA THR A 34 9.516 0.741 3.691 1.00 0.38 C ATOM 499 C THR A 34 8.522 1.261 4.731 1.00 0.39 C ATOM 500 O THR A 34 8.875 1.441 5.896 1.00 0.53 O ATOM 501 CB THR A 34 9.837 1.759 2.594 1.00 0.43 C ATOM 502 OG1 THR A 34 10.924 1.172 1.884 1.00 0.60 O ATOM 503 CG2 THR A 34 10.416 3.059 3.154 1.00 0.54 C ATOM 0 H THR A 34 8.952 -0.412 2.035 1.00 0.34 H new ATOM 0 HA THR A 34 10.434 0.533 4.241 1.00 0.38 H new ATOM 0 HB THR A 34 8.933 1.979 2.027 1.00 0.43 H new ATOM 0 HG1 THR A 34 10.584 0.480 1.279 1.00 0.60 H new ATOM 0 HG21 THR A 34 10.626 3.746 2.335 1.00 0.54 H new ATOM 0 HG22 THR A 34 9.696 3.514 3.834 1.00 0.54 H new ATOM 0 HG23 THR A 34 11.339 2.844 3.693 1.00 0.54 H new ATOM 511 N VAL A 35 7.300 1.489 4.273 1.00 0.35 N ATOM 512 CA VAL A 35 6.253 1.986 5.150 1.00 0.45 C ATOM 513 C VAL A 35 6.180 1.106 6.399 1.00 0.38 C ATOM 514 O VAL A 35 6.248 1.608 7.520 1.00 0.42 O ATOM 515 CB VAL A 35 4.926 2.058 4.391 1.00 0.63 C ATOM 516 CG1 VAL A 35 3.772 2.399 5.336 1.00 1.13 C ATOM 517 CG2 VAL A 35 5.007 3.062 3.240 1.00 1.36 C ATOM 0 H VAL A 35 7.011 1.339 3.306 1.00 0.35 H new ATOM 0 HA VAL A 35 6.480 3.000 5.480 1.00 0.45 H new ATOM 0 HB VAL A 35 4.730 1.074 3.964 1.00 0.63 H new ATOM 0 HG11 VAL A 35 2.841 2.444 4.772 1.00 1.13 H new ATOM 0 HG12 VAL A 35 3.693 1.631 6.106 1.00 1.13 H new ATOM 0 HG13 VAL A 35 3.959 3.365 5.805 1.00 1.13 H new ATOM 0 HG21 VAL A 35 4.051 3.094 2.717 1.00 1.36 H new ATOM 0 HG22 VAL A 35 5.237 4.051 3.636 1.00 1.36 H new ATOM 0 HG23 VAL A 35 5.790 2.757 2.546 1.00 1.36 H new ATOM 527 N MET A 36 6.044 -0.190 6.164 1.00 0.39 N ATOM 528 CA MET A 36 5.961 -1.145 7.257 1.00 0.42 C ATOM 529 C MET A 36 6.961 -0.800 8.362 1.00 0.42 C ATOM 530 O MET A 36 6.591 -0.707 9.532 1.00 0.46 O ATOM 531 CB MET A 36 6.248 -2.552 6.729 1.00 0.58 C ATOM 532 CG MET A 36 5.188 -2.983 5.714 1.00 0.69 C ATOM 533 SD MET A 36 3.717 -3.533 6.563 1.00 0.77 S ATOM 534 CE MET A 36 2.506 -2.456 5.816 1.00 1.62 C ATOM 0 H MET A 36 5.989 -0.602 5.233 1.00 0.39 H new ATOM 0 HA MET A 36 4.956 -1.103 7.676 1.00 0.42 H new ATOM 0 HB2 MET A 36 7.233 -2.576 6.264 1.00 0.58 H new ATOM 0 HB3 MET A 36 6.270 -3.258 7.559 1.00 0.58 H new ATOM 0 HG2 MET A 36 4.946 -2.151 5.053 1.00 0.69 H new ATOM 0 HG3 MET A 36 5.578 -3.785 5.087 1.00 0.69 H new ATOM 0 HE1 MET A 36 1.523 -2.668 6.236 1.00 1.62 H new ATOM 0 HE2 MET A 36 2.770 -1.418 6.016 1.00 1.62 H new ATOM 0 HE3 MET A 36 2.484 -2.624 4.739 1.00 1.62 H new ATOM 544 N ARG A 37 8.208 -0.620 7.953 1.00 0.53 N ATOM 545 CA ARG A 37 9.264 -0.288 8.894 1.00 0.70 C ATOM 546 C ARG A 37 8.937 1.018 9.620 1.00 0.74 C ATOM 547 O ARG A 37 9.167 1.139 10.822 1.00 0.90 O ATOM 548 CB ARG A 37 10.611 -0.145 8.183 1.00 0.95 C ATOM 549 CG ARG A 37 11.201 -1.515 7.844 1.00 1.39 C ATOM 550 CD ARG A 37 11.546 -1.611 6.357 1.00 2.23 C ATOM 551 NE ARG A 37 12.715 -2.499 6.165 1.00 3.07 N ATOM 552 CZ ARG A 37 13.010 -3.113 5.011 1.00 4.38 C ATOM 553 NH1 ARG A 37 12.224 -2.941 3.940 1.00 5.51 N ATOM 554 NH2 ARG A 37 14.092 -3.901 4.929 1.00 5.32 N ATOM 0 H ARG A 37 8.511 -0.698 6.982 1.00 0.53 H new ATOM 0 HA ARG A 37 9.332 -1.102 9.616 1.00 0.70 H new ATOM 0 HB2 ARG A 37 10.484 0.436 7.270 1.00 0.95 H new ATOM 0 HB3 ARG A 37 11.304 0.406 8.818 1.00 0.95 H new ATOM 0 HG2 ARG A 37 12.097 -1.687 8.441 1.00 1.39 H new ATOM 0 HG3 ARG A 37 10.488 -2.297 8.107 1.00 1.39 H new ATOM 0 HD2 ARG A 37 10.691 -1.996 5.801 1.00 2.23 H new ATOM 0 HD3 ARG A 37 11.763 -0.619 5.961 1.00 2.23 H new ATOM 0 HE ARG A 37 13.334 -2.653 6.961 1.00 3.07 H new ATOM 0 HH11 ARG A 37 11.400 -2.342 4.003 1.00 5.51 H new ATOM 0 HH12 ARG A 37 12.449 -3.409 3.062 1.00 5.51 H new ATOM 0 HH21 ARG A 37 14.690 -4.033 5.745 1.00 5.32 H new ATOM 0 HH22 ARG A 37 14.317 -4.369 4.051 1.00 5.32 H new ATOM 568 N SER A 38 8.405 1.964 8.859 1.00 0.72 N ATOM 569 CA SER A 38 8.044 3.257 9.414 1.00 0.93 C ATOM 570 C SER A 38 7.074 3.072 10.583 1.00 0.94 C ATOM 571 O SER A 38 6.966 3.940 11.448 1.00 1.20 O ATOM 572 CB SER A 38 7.423 4.160 8.347 1.00 1.01 C ATOM 573 OG SER A 38 7.346 5.517 8.775 1.00 1.64 O ATOM 0 H SER A 38 8.215 1.860 7.862 1.00 0.72 H new ATOM 0 HA SER A 38 8.952 3.740 9.776 1.00 0.93 H new ATOM 0 HB2 SER A 38 8.014 4.101 7.433 1.00 1.01 H new ATOM 0 HB3 SER A 38 6.424 3.799 8.104 1.00 1.01 H new ATOM 0 HG SER A 38 6.945 6.062 8.066 1.00 1.64 H new ATOM 579 N LEU A 39 6.393 1.935 10.571 1.00 0.74 N ATOM 580 CA LEU A 39 5.436 1.625 11.619 1.00 0.86 C ATOM 581 C LEU A 39 6.175 1.027 12.818 1.00 0.94 C ATOM 582 O LEU A 39 5.894 1.377 13.963 1.00 1.63 O ATOM 583 CB LEU A 39 4.318 0.732 11.077 1.00 0.82 C ATOM 584 CG LEU A 39 3.377 1.379 10.058 1.00 0.93 C ATOM 585 CD1 LEU A 39 2.642 0.316 9.239 1.00 1.14 C ATOM 586 CD2 LEU A 39 2.410 2.346 10.743 1.00 1.26 C ATOM 0 H LEU A 39 6.485 1.218 9.852 1.00 0.74 H new ATOM 0 HA LEU A 39 4.945 2.534 11.968 1.00 0.86 H new ATOM 0 HB2 LEU A 39 4.772 -0.146 10.617 1.00 0.82 H new ATOM 0 HB3 LEU A 39 3.722 0.378 11.919 1.00 0.82 H new ATOM 0 HG LEU A 39 3.977 1.964 9.361 1.00 0.93 H new ATOM 0 HD11 LEU A 39 1.980 0.802 8.523 1.00 1.14 H new ATOM 0 HD12 LEU A 39 3.367 -0.297 8.705 1.00 1.14 H new ATOM 0 HD13 LEU A 39 2.054 -0.315 9.906 1.00 1.14 H new ATOM 0 HD21 LEU A 39 1.752 2.792 9.997 1.00 1.26 H new ATOM 0 HD22 LEU A 39 1.812 1.804 11.476 1.00 1.26 H new ATOM 0 HD23 LEU A 39 2.975 3.131 11.245 1.00 1.26 H new ATOM 598 N GLY A 40 7.105 0.133 12.513 1.00 0.74 N ATOM 599 CA GLY A 40 7.886 -0.517 13.551 1.00 0.73 C ATOM 600 C GLY A 40 8.045 -2.011 13.262 1.00 0.78 C ATOM 601 O GLY A 40 7.887 -2.841 14.157 1.00 1.70 O ATOM 0 H GLY A 40 7.335 -0.156 11.562 1.00 0.74 H new ATOM 0 HA2 GLY A 40 8.868 -0.049 13.619 1.00 0.73 H new ATOM 0 HA3 GLY A 40 7.400 -0.379 14.517 1.00 0.73 H new ATOM 605 N GLN A 41 8.357 -2.309 12.009 1.00 0.84 N ATOM 606 CA GLN A 41 8.540 -3.688 11.591 1.00 0.84 C ATOM 607 C GLN A 41 9.722 -3.798 10.625 1.00 0.98 C ATOM 608 O GLN A 41 10.423 -2.817 10.383 1.00 1.90 O ATOM 609 CB GLN A 41 7.262 -4.244 10.960 1.00 0.74 C ATOM 610 CG GLN A 41 6.248 -4.642 12.034 1.00 1.51 C ATOM 611 CD GLN A 41 5.501 -5.916 11.637 1.00 2.09 C ATOM 612 OE1 GLN A 41 5.738 -6.994 12.157 1.00 3.10 O ATOM 613 NE2 GLN A 41 4.586 -5.734 10.689 1.00 2.77 N ATOM 0 H GLN A 41 8.488 -1.618 11.270 1.00 0.84 H new ATOM 0 HA GLN A 41 8.761 -4.288 12.474 1.00 0.84 H new ATOM 0 HB2 GLN A 41 6.823 -3.496 10.300 1.00 0.74 H new ATOM 0 HB3 GLN A 41 7.503 -5.110 10.344 1.00 0.74 H new ATOM 0 HG2 GLN A 41 6.761 -4.798 12.983 1.00 1.51 H new ATOM 0 HG3 GLN A 41 5.536 -3.831 12.185 1.00 1.51 H new ATOM 0 HE21 GLN A 41 4.437 -4.805 10.295 1.00 2.77 H new ATOM 0 HE22 GLN A 41 4.033 -6.524 10.356 1.00 2.77 H new ATOM 622 N ASN A 42 9.905 -5.000 10.099 1.00 0.69 N ATOM 623 CA ASN A 42 10.989 -5.250 9.164 1.00 0.69 C ATOM 624 C ASN A 42 10.639 -6.461 8.297 1.00 0.59 C ATOM 625 O ASN A 42 11.334 -7.475 8.330 1.00 0.66 O ATOM 626 CB ASN A 42 12.293 -5.560 9.903 1.00 0.87 C ATOM 627 CG ASN A 42 13.321 -4.447 9.690 1.00 1.19 C ATOM 628 OD1 ASN A 42 14.453 -4.679 9.297 1.00 1.78 O ATOM 629 ND2 ASN A 42 12.866 -3.229 9.969 1.00 1.25 N ATOM 0 H ASN A 42 9.321 -5.811 10.302 1.00 0.69 H new ATOM 0 HA ASN A 42 11.123 -4.356 8.555 1.00 0.69 H new ATOM 0 HB2 ASN A 42 12.093 -5.676 10.968 1.00 0.87 H new ATOM 0 HB3 ASN A 42 12.699 -6.508 9.550 1.00 0.87 H new ATOM 0 HD21 ASN A 42 13.476 -2.419 9.858 1.00 1.25 H new ATOM 0 HD22 ASN A 42 11.907 -3.105 10.294 1.00 1.25 H new ATOM 636 N PRO A 43 9.533 -6.311 7.520 1.00 0.50 N ATOM 637 CA PRO A 43 9.082 -7.379 6.644 1.00 0.50 C ATOM 638 C PRO A 43 9.978 -7.490 5.408 1.00 0.51 C ATOM 639 O PRO A 43 10.773 -6.593 5.131 1.00 0.61 O ATOM 640 CB PRO A 43 7.643 -7.029 6.305 1.00 0.51 C ATOM 641 CG PRO A 43 7.488 -5.550 6.621 1.00 0.51 C ATOM 642 CD PRO A 43 8.685 -5.124 7.454 1.00 0.51 C ATOM 0 HA PRO A 43 9.139 -8.361 7.114 1.00 0.50 H new ATOM 0 HB2 PRO A 43 7.430 -7.228 5.255 1.00 0.51 H new ATOM 0 HB3 PRO A 43 6.947 -7.629 6.891 1.00 0.51 H new ATOM 0 HG2 PRO A 43 7.436 -4.967 5.702 1.00 0.51 H new ATOM 0 HG3 PRO A 43 6.561 -5.371 7.165 1.00 0.51 H new ATOM 0 HD2 PRO A 43 9.210 -4.287 6.993 1.00 0.51 H new ATOM 0 HD3 PRO A 43 8.380 -4.800 8.449 1.00 0.51 H new ATOM 650 N THR A 44 9.819 -8.598 4.699 1.00 0.46 N ATOM 651 CA THR A 44 10.603 -8.838 3.500 1.00 0.49 C ATOM 652 C THR A 44 9.772 -8.537 2.251 1.00 0.45 C ATOM 653 O THR A 44 8.546 -8.640 2.277 1.00 0.40 O ATOM 654 CB THR A 44 11.121 -10.276 3.553 1.00 0.54 C ATOM 655 OG1 THR A 44 10.033 -11.017 4.100 1.00 0.57 O ATOM 656 CG2 THR A 44 12.245 -10.456 4.575 1.00 0.59 C ATOM 0 H THR A 44 9.159 -9.339 4.932 1.00 0.46 H new ATOM 0 HA THR A 44 11.463 -8.170 3.449 1.00 0.49 H new ATOM 0 HB THR A 44 11.477 -10.570 2.566 1.00 0.54 H new ATOM 0 HG1 THR A 44 10.282 -11.962 4.168 1.00 0.57 H new ATOM 0 HG21 THR A 44 12.576 -11.494 4.572 1.00 0.59 H new ATOM 0 HG22 THR A 44 13.081 -9.808 4.314 1.00 0.59 H new ATOM 0 HG23 THR A 44 11.879 -10.194 5.568 1.00 0.59 H new ATOM 664 N GLU A 45 10.472 -8.172 1.187 1.00 0.57 N ATOM 665 CA GLU A 45 9.815 -7.856 -0.070 1.00 0.58 C ATOM 666 C GLU A 45 9.176 -9.113 -0.665 1.00 0.55 C ATOM 667 O GLU A 45 8.286 -9.020 -1.510 1.00 0.55 O ATOM 668 CB GLU A 45 10.795 -7.219 -1.056 1.00 0.71 C ATOM 669 CG GLU A 45 11.887 -8.211 -1.462 1.00 0.80 C ATOM 670 CD GLU A 45 13.198 -7.911 -0.732 1.00 1.56 C ATOM 671 OE1 GLU A 45 13.596 -6.726 -0.744 1.00 2.27 O ATOM 672 OE2 GLU A 45 13.773 -8.873 -0.179 1.00 3.03 O ATOM 0 H GLU A 45 11.488 -8.088 1.170 1.00 0.57 H new ATOM 0 HA GLU A 45 9.026 -7.130 0.127 1.00 0.58 H new ATOM 0 HB2 GLU A 45 10.257 -6.882 -1.942 1.00 0.71 H new ATOM 0 HB3 GLU A 45 11.249 -6.337 -0.604 1.00 0.71 H new ATOM 0 HG2 GLU A 45 11.564 -9.227 -1.234 1.00 0.80 H new ATOM 0 HG3 GLU A 45 12.047 -8.161 -2.539 1.00 0.80 H new ATOM 679 N ALA A 46 9.655 -10.258 -0.201 1.00 0.57 N ATOM 680 CA ALA A 46 9.141 -11.531 -0.677 1.00 0.61 C ATOM 681 C ALA A 46 7.713 -11.725 -0.164 1.00 0.53 C ATOM 682 O ALA A 46 6.778 -11.851 -0.952 1.00 0.57 O ATOM 683 CB ALA A 46 10.078 -12.657 -0.235 1.00 0.66 C ATOM 0 H ALA A 46 10.393 -10.331 0.499 1.00 0.57 H new ATOM 0 HA ALA A 46 9.104 -11.546 -1.766 1.00 0.61 H new ATOM 0 HB1 ALA A 46 9.693 -13.612 -0.592 1.00 0.66 H new ATOM 0 HB2 ALA A 46 11.071 -12.488 -0.651 1.00 0.66 H new ATOM 0 HB3 ALA A 46 10.138 -12.674 0.853 1.00 0.66 H new ATOM 689 N GLU A 47 7.591 -11.742 1.156 1.00 0.47 N ATOM 690 CA GLU A 47 6.292 -11.918 1.784 1.00 0.44 C ATOM 691 C GLU A 47 5.282 -10.926 1.203 1.00 0.42 C ATOM 692 O GLU A 47 4.149 -11.296 0.899 1.00 0.44 O ATOM 693 CB GLU A 47 6.394 -11.770 3.303 1.00 0.41 C ATOM 694 CG GLU A 47 6.715 -13.111 3.965 1.00 0.58 C ATOM 695 CD GLU A 47 5.464 -13.721 4.602 1.00 0.94 C ATOM 696 OE1 GLU A 47 4.453 -13.832 3.875 1.00 1.78 O ATOM 697 OE2 GLU A 47 5.547 -14.063 5.801 1.00 1.61 O ATOM 0 H GLU A 47 8.369 -11.637 1.807 1.00 0.47 H new ATOM 0 HA GLU A 47 5.942 -12.928 1.572 1.00 0.44 H new ATOM 0 HB2 GLU A 47 7.169 -11.044 3.550 1.00 0.41 H new ATOM 0 HB3 GLU A 47 5.455 -11.381 3.698 1.00 0.41 H new ATOM 0 HG2 GLU A 47 7.122 -13.799 3.224 1.00 0.58 H new ATOM 0 HG3 GLU A 47 7.483 -12.971 4.725 1.00 0.58 H new ATOM 704 N LEU A 48 5.730 -9.687 1.066 1.00 0.40 N ATOM 705 CA LEU A 48 4.879 -8.639 0.527 1.00 0.40 C ATOM 706 C LEU A 48 4.668 -8.880 -0.969 1.00 0.42 C ATOM 707 O LEU A 48 3.670 -8.439 -1.538 1.00 0.42 O ATOM 708 CB LEU A 48 5.455 -7.260 0.853 1.00 0.41 C ATOM 709 CG LEU A 48 5.223 -6.756 2.278 1.00 0.40 C ATOM 710 CD1 LEU A 48 3.740 -6.822 2.649 1.00 0.50 C ATOM 711 CD2 LEU A 48 6.098 -7.515 3.278 1.00 0.40 C ATOM 0 H LEU A 48 6.671 -9.385 1.319 1.00 0.40 H new ATOM 0 HA LEU A 48 3.896 -8.667 0.997 1.00 0.40 H new ATOM 0 HB2 LEU A 48 6.529 -7.284 0.668 1.00 0.41 H new ATOM 0 HB3 LEU A 48 5.028 -6.536 0.159 1.00 0.41 H new ATOM 0 HG LEU A 48 5.519 -5.708 2.321 1.00 0.40 H new ATOM 0 HD11 LEU A 48 3.603 -6.458 3.667 1.00 0.50 H new ATOM 0 HD12 LEU A 48 3.165 -6.202 1.961 1.00 0.50 H new ATOM 0 HD13 LEU A 48 3.394 -7.854 2.583 1.00 0.50 H new ATOM 0 HD21 LEU A 48 5.913 -7.137 4.283 1.00 0.40 H new ATOM 0 HD22 LEU A 48 5.857 -8.577 3.240 1.00 0.40 H new ATOM 0 HD23 LEU A 48 7.148 -7.372 3.024 1.00 0.40 H new ATOM 723 N GLN A 49 5.623 -9.579 -1.564 1.00 0.46 N ATOM 724 CA GLN A 49 5.554 -9.883 -2.984 1.00 0.50 C ATOM 725 C GLN A 49 4.181 -10.459 -3.337 1.00 0.46 C ATOM 726 O GLN A 49 3.621 -10.140 -4.384 1.00 0.42 O ATOM 727 CB GLN A 49 6.673 -10.843 -3.394 1.00 0.69 C ATOM 728 CG GLN A 49 6.904 -10.802 -4.905 1.00 0.70 C ATOM 729 CD GLN A 49 8.046 -11.735 -5.311 1.00 1.01 C ATOM 730 OE1 GLN A 49 9.213 -11.468 -5.076 1.00 0.96 O ATOM 731 NE2 GLN A 49 7.647 -12.841 -5.932 1.00 2.46 N ATOM 0 H GLN A 49 6.449 -9.944 -1.089 1.00 0.46 H new ATOM 0 HA GLN A 49 5.692 -8.957 -3.541 1.00 0.50 H new ATOM 0 HB2 GLN A 49 7.594 -10.577 -2.874 1.00 0.69 H new ATOM 0 HB3 GLN A 49 6.416 -11.858 -3.089 1.00 0.69 H new ATOM 0 HG2 GLN A 49 5.991 -11.092 -5.424 1.00 0.70 H new ATOM 0 HG3 GLN A 49 7.136 -9.783 -5.213 1.00 0.70 H new ATOM 0 HE21 GLN A 49 6.654 -13.003 -6.097 1.00 2.46 H new ATOM 0 HE22 GLN A 49 8.334 -13.527 -6.243 1.00 2.46 H new ATOM 740 N ASP A 50 3.679 -11.298 -2.442 1.00 0.52 N ATOM 741 CA ASP A 50 2.382 -11.921 -2.647 1.00 0.56 C ATOM 742 C ASP A 50 1.285 -10.865 -2.499 1.00 0.48 C ATOM 743 O ASP A 50 0.253 -10.940 -3.165 1.00 0.52 O ATOM 744 CB ASP A 50 2.128 -13.016 -1.608 1.00 0.70 C ATOM 745 CG ASP A 50 0.927 -13.917 -1.900 1.00 0.85 C ATOM 746 OD1 ASP A 50 -0.207 -13.401 -1.805 1.00 2.12 O ATOM 747 OD2 ASP A 50 1.170 -15.103 -2.212 1.00 1.50 O ATOM 0 H ASP A 50 4.146 -11.561 -1.574 1.00 0.52 H new ATOM 0 HA ASP A 50 2.372 -12.360 -3.645 1.00 0.56 H new ATOM 0 HB2 ASP A 50 3.020 -13.638 -1.532 1.00 0.70 H new ATOM 0 HB3 ASP A 50 1.983 -12.546 -0.635 1.00 0.70 H new ATOM 752 N MET A 51 1.544 -9.907 -1.622 1.00 0.41 N ATOM 753 CA MET A 51 0.591 -8.837 -1.379 1.00 0.42 C ATOM 754 C MET A 51 0.511 -7.891 -2.579 1.00 0.37 C ATOM 755 O MET A 51 -0.556 -7.713 -3.164 1.00 0.44 O ATOM 756 CB MET A 51 1.012 -8.051 -0.136 1.00 0.42 C ATOM 757 CG MET A 51 0.811 -8.883 1.133 1.00 0.48 C ATOM 758 SD MET A 51 -0.932 -9.120 1.438 1.00 1.55 S ATOM 759 CE MET A 51 -0.881 -10.651 2.354 1.00 2.74 C ATOM 0 H MET A 51 2.400 -9.849 -1.071 1.00 0.41 H new ATOM 0 HA MET A 51 -0.393 -9.280 -1.224 1.00 0.42 H new ATOM 0 HB2 MET A 51 2.059 -7.760 -0.223 1.00 0.42 H new ATOM 0 HB3 MET A 51 0.430 -7.132 -0.068 1.00 0.42 H new ATOM 0 HG2 MET A 51 1.305 -9.849 1.026 1.00 0.48 H new ATOM 0 HG3 MET A 51 1.273 -8.381 1.984 1.00 0.48 H new ATOM 0 HE1 MET A 51 -1.894 -10.946 2.626 1.00 2.74 H new ATOM 0 HE2 MET A 51 -0.429 -11.429 1.738 1.00 2.74 H new ATOM 0 HE3 MET A 51 -0.288 -10.514 3.258 1.00 2.74 H new ATOM 769 N ILE A 52 1.654 -7.308 -2.909 1.00 0.29 N ATOM 770 CA ILE A 52 1.727 -6.384 -4.028 1.00 0.31 C ATOM 771 C ILE A 52 1.049 -7.012 -5.247 1.00 0.29 C ATOM 772 O ILE A 52 0.251 -6.362 -5.921 1.00 0.30 O ATOM 773 CB ILE A 52 3.176 -5.960 -4.280 1.00 0.32 C ATOM 774 CG1 ILE A 52 4.062 -7.177 -4.556 1.00 0.31 C ATOM 775 CG2 ILE A 52 3.709 -5.114 -3.122 1.00 0.41 C ATOM 776 CD1 ILE A 52 3.973 -7.598 -6.025 1.00 0.40 C ATOM 0 H ILE A 52 2.537 -7.458 -2.421 1.00 0.29 H new ATOM 0 HA ILE A 52 1.186 -5.466 -3.800 1.00 0.31 H new ATOM 0 HB ILE A 52 3.199 -5.335 -5.173 1.00 0.32 H new ATOM 0 HG12 ILE A 52 5.096 -6.943 -4.303 1.00 0.31 H new ATOM 0 HG13 ILE A 52 3.757 -8.006 -3.917 1.00 0.31 H new ATOM 0 HG21 ILE A 52 4.740 -4.826 -3.326 1.00 0.41 H new ATOM 0 HG22 ILE A 52 3.097 -4.219 -3.014 1.00 0.41 H new ATOM 0 HG23 ILE A 52 3.670 -5.694 -2.200 1.00 0.41 H new ATOM 0 HD11 ILE A 52 4.612 -8.465 -6.194 1.00 0.40 H new ATOM 0 HD12 ILE A 52 2.942 -7.854 -6.268 1.00 0.40 H new ATOM 0 HD13 ILE A 52 4.302 -6.775 -6.660 1.00 0.40 H new ATOM 788 N ASN A 53 1.392 -8.268 -5.493 1.00 0.32 N ATOM 789 CA ASN A 53 0.826 -8.991 -6.620 1.00 0.34 C ATOM 790 C ASN A 53 -0.677 -9.173 -6.400 1.00 0.34 C ATOM 791 O ASN A 53 -1.451 -9.184 -7.356 1.00 0.36 O ATOM 792 CB ASN A 53 1.455 -10.378 -6.756 1.00 0.42 C ATOM 793 CG ASN A 53 0.902 -11.114 -7.978 1.00 1.14 C ATOM 794 OD1 ASN A 53 0.006 -10.648 -8.662 1.00 1.78 O ATOM 795 ND2 ASN A 53 1.484 -12.287 -8.212 1.00 1.56 N ATOM 0 H ASN A 53 2.054 -8.803 -4.932 1.00 0.32 H new ATOM 0 HA ASN A 53 1.024 -8.415 -7.524 1.00 0.34 H new ATOM 0 HB2 ASN A 53 2.537 -10.283 -6.843 1.00 0.42 H new ATOM 0 HB3 ASN A 53 1.257 -10.961 -5.856 1.00 0.42 H new ATOM 0 HD21 ASN A 53 1.185 -12.856 -9.004 1.00 1.56 H new ATOM 0 HD22 ASN A 53 2.229 -12.618 -7.599 1.00 1.56 H new ATOM 802 N GLU A 54 -1.046 -9.311 -5.135 1.00 0.36 N ATOM 803 CA GLU A 54 -2.442 -9.492 -4.778 1.00 0.41 C ATOM 804 C GLU A 54 -3.221 -8.195 -5.004 1.00 0.39 C ATOM 805 O GLU A 54 -4.155 -8.159 -5.803 1.00 0.43 O ATOM 806 CB GLU A 54 -2.581 -9.969 -3.330 1.00 0.46 C ATOM 807 CG GLU A 54 -4.053 -10.079 -2.928 1.00 0.49 C ATOM 808 CD GLU A 54 -4.552 -11.518 -3.063 1.00 0.74 C ATOM 809 OE1 GLU A 54 -4.700 -11.961 -4.222 1.00 1.73 O ATOM 810 OE2 GLU A 54 -4.776 -12.144 -2.004 1.00 1.66 O ATOM 0 H GLU A 54 -0.402 -9.301 -4.344 1.00 0.36 H new ATOM 0 HA GLU A 54 -2.864 -10.263 -5.423 1.00 0.41 H new ATOM 0 HB2 GLU A 54 -2.095 -10.938 -3.214 1.00 0.46 H new ATOM 0 HB3 GLU A 54 -2.069 -9.274 -2.664 1.00 0.46 H new ATOM 0 HG2 GLU A 54 -4.179 -9.742 -1.899 1.00 0.49 H new ATOM 0 HG3 GLU A 54 -4.655 -9.421 -3.555 1.00 0.49 H new ATOM 817 N VAL A 55 -2.807 -7.161 -4.287 1.00 0.35 N ATOM 818 CA VAL A 55 -3.454 -5.865 -4.400 1.00 0.37 C ATOM 819 C VAL A 55 -3.483 -5.441 -5.870 1.00 0.33 C ATOM 820 O VAL A 55 -4.533 -5.066 -6.390 1.00 0.41 O ATOM 821 CB VAL A 55 -2.750 -4.848 -3.499 1.00 0.38 C ATOM 822 CG1 VAL A 55 -2.814 -5.279 -2.032 1.00 0.49 C ATOM 823 CG2 VAL A 55 -1.302 -4.631 -3.944 1.00 0.34 C ATOM 0 H VAL A 55 -2.031 -7.194 -3.625 1.00 0.35 H new ATOM 0 HA VAL A 55 -4.487 -5.923 -4.057 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.275 -3.897 -3.592 1.00 0.38 H new ATOM 0 HG11 VAL A 55 -2.306 -4.539 -1.413 1.00 0.49 H new ATOM 0 HG12 VAL A 55 -3.856 -5.359 -1.721 1.00 0.49 H new ATOM 0 HG13 VAL A 55 -2.325 -6.246 -1.915 1.00 0.49 H new ATOM 0 HG21 VAL A 55 -0.825 -3.904 -3.287 1.00 0.34 H new ATOM 0 HG22 VAL A 55 -0.761 -5.576 -3.894 1.00 0.34 H new ATOM 0 HG23 VAL A 55 -1.288 -4.259 -4.968 1.00 0.34 H new ATOM 833 N ASP A 56 -2.319 -5.514 -6.497 1.00 0.37 N ATOM 834 CA ASP A 56 -2.198 -5.143 -7.897 1.00 0.37 C ATOM 835 C ASP A 56 -3.220 -5.931 -8.719 1.00 0.29 C ATOM 836 O ASP A 56 -3.050 -7.128 -8.943 1.00 0.38 O ATOM 837 CB ASP A 56 -0.804 -5.470 -8.436 1.00 0.51 C ATOM 838 CG ASP A 56 -0.470 -4.841 -9.790 1.00 0.83 C ATOM 839 OD1 ASP A 56 -1.107 -5.258 -10.782 1.00 1.50 O ATOM 840 OD2 ASP A 56 0.414 -3.958 -9.803 1.00 1.01 O ATOM 0 H ASP A 56 -1.450 -5.825 -6.062 1.00 0.37 H new ATOM 0 HA ASP A 56 -2.372 -4.070 -7.977 1.00 0.37 H new ATOM 0 HB2 ASP A 56 -0.063 -5.142 -7.707 1.00 0.51 H new ATOM 0 HB3 ASP A 56 -0.709 -6.552 -8.522 1.00 0.51 H new ATOM 845 N ALA A 57 -4.258 -5.227 -9.146 1.00 0.35 N ATOM 846 CA ALA A 57 -5.307 -5.846 -9.938 1.00 0.45 C ATOM 847 C ALA A 57 -4.932 -5.773 -11.420 1.00 0.56 C ATOM 848 O ALA A 57 -4.880 -6.795 -12.102 1.00 0.71 O ATOM 849 CB ALA A 57 -6.643 -5.162 -9.641 1.00 0.55 C ATOM 0 H ALA A 57 -4.395 -4.234 -8.958 1.00 0.35 H new ATOM 0 HA ALA A 57 -5.414 -6.899 -9.676 1.00 0.45 H new ATOM 0 HB1 ALA A 57 -7.430 -5.627 -10.235 1.00 0.55 H new ATOM 0 HB2 ALA A 57 -6.878 -5.267 -8.582 1.00 0.55 H new ATOM 0 HB3 ALA A 57 -6.574 -4.104 -9.894 1.00 0.55 H new ATOM 855 N ASP A 58 -4.680 -4.554 -11.874 1.00 0.62 N ATOM 856 CA ASP A 58 -4.311 -4.334 -13.262 1.00 0.80 C ATOM 857 C ASP A 58 -3.385 -5.461 -13.724 1.00 0.84 C ATOM 858 O ASP A 58 -3.421 -5.862 -14.886 1.00 1.04 O ATOM 859 CB ASP A 58 -3.563 -3.009 -13.430 1.00 0.88 C ATOM 860 CG ASP A 58 -3.221 -2.290 -12.124 1.00 0.96 C ATOM 861 OD1 ASP A 58 -4.179 -1.892 -11.426 1.00 2.32 O ATOM 862 OD2 ASP A 58 -2.009 -2.153 -11.852 1.00 1.07 O ATOM 0 H ASP A 58 -4.724 -3.708 -11.305 1.00 0.62 H new ATOM 0 HA ASP A 58 -5.226 -4.310 -13.854 1.00 0.80 H new ATOM 0 HB2 ASP A 58 -2.639 -3.197 -13.976 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.167 -2.343 -14.046 1.00 0.88 H new ATOM 867 N GLY A 59 -2.577 -5.940 -12.790 1.00 0.70 N ATOM 868 CA GLY A 59 -1.643 -7.013 -13.086 1.00 0.81 C ATOM 869 C GLY A 59 -0.296 -6.455 -13.551 1.00 0.79 C ATOM 870 O GLY A 59 -0.135 -6.106 -14.720 1.00 1.15 O ATOM 0 H GLY A 59 -2.550 -5.605 -11.827 1.00 0.70 H new ATOM 0 HA2 GLY A 59 -1.499 -7.629 -12.199 1.00 0.81 H new ATOM 0 HA3 GLY A 59 -2.059 -7.659 -13.859 1.00 0.81 H new ATOM 874 N ASP A 60 0.636 -6.387 -12.613 1.00 0.51 N ATOM 875 CA ASP A 60 1.964 -5.877 -12.912 1.00 0.50 C ATOM 876 C ASP A 60 2.923 -6.273 -11.787 1.00 0.47 C ATOM 877 O ASP A 60 3.953 -6.897 -12.036 1.00 0.56 O ATOM 878 CB ASP A 60 1.958 -4.351 -13.012 1.00 0.52 C ATOM 879 CG ASP A 60 0.569 -3.713 -13.084 1.00 1.24 C ATOM 880 OD1 ASP A 60 -0.023 -3.764 -14.184 1.00 2.86 O ATOM 881 OD2 ASP A 60 0.130 -3.188 -12.038 1.00 0.99 O ATOM 0 H ASP A 60 0.499 -6.677 -11.645 1.00 0.51 H new ATOM 0 HA ASP A 60 2.281 -6.300 -13.865 1.00 0.50 H new ATOM 0 HB2 ASP A 60 2.484 -3.943 -12.149 1.00 0.52 H new ATOM 0 HB3 ASP A 60 2.522 -4.058 -13.897 1.00 0.52 H new ATOM 886 N GLY A 61 2.549 -5.894 -10.573 1.00 0.45 N ATOM 887 CA GLY A 61 3.363 -6.202 -9.410 1.00 0.49 C ATOM 888 C GLY A 61 3.753 -4.926 -8.660 1.00 0.61 C ATOM 889 O GLY A 61 4.863 -4.822 -8.141 1.00 1.27 O ATOM 0 H GLY A 61 1.694 -5.377 -10.370 1.00 0.45 H new ATOM 0 HA2 GLY A 61 2.814 -6.867 -8.743 1.00 0.49 H new ATOM 0 HA3 GLY A 61 4.262 -6.734 -9.721 1.00 0.49 H new ATOM 893 N THR A 62 2.818 -3.988 -8.628 1.00 0.38 N ATOM 894 CA THR A 62 3.049 -2.724 -7.951 1.00 0.37 C ATOM 895 C THR A 62 1.748 -2.201 -7.338 1.00 0.31 C ATOM 896 O THR A 62 0.660 -2.534 -7.805 1.00 0.38 O ATOM 897 CB THR A 62 3.679 -1.757 -8.956 1.00 0.51 C ATOM 898 OG1 THR A 62 4.772 -2.490 -9.504 1.00 0.63 O ATOM 899 CG2 THR A 62 4.339 -0.555 -8.278 1.00 0.57 C ATOM 0 H THR A 62 1.899 -4.078 -9.060 1.00 0.38 H new ATOM 0 HA THR A 62 3.740 -2.843 -7.116 1.00 0.37 H new ATOM 0 HB THR A 62 2.915 -1.407 -9.651 1.00 0.51 H new ATOM 0 HG1 THR A 62 5.236 -1.938 -10.167 1.00 0.63 H new ATOM 0 HG21 THR A 62 4.770 0.099 -9.036 1.00 0.57 H new ATOM 0 HG22 THR A 62 3.592 -0.004 -7.706 1.00 0.57 H new ATOM 0 HG23 THR A 62 5.126 -0.902 -7.608 1.00 0.57 H new ATOM 907 N ILE A 63 1.904 -1.390 -6.302 1.00 0.36 N ATOM 908 CA ILE A 63 0.755 -0.818 -5.621 1.00 0.33 C ATOM 909 C ILE A 63 0.551 0.622 -6.095 1.00 0.45 C ATOM 910 O ILE A 63 1.394 1.171 -6.804 1.00 0.69 O ATOM 911 CB ILE A 63 0.911 -0.950 -4.104 1.00 0.37 C ATOM 912 CG1 ILE A 63 1.374 -2.357 -3.721 1.00 0.47 C ATOM 913 CG2 ILE A 63 -0.380 -0.555 -3.384 1.00 0.46 C ATOM 914 CD1 ILE A 63 1.532 -2.488 -2.205 1.00 0.56 C ATOM 0 H ILE A 63 2.808 -1.116 -5.918 1.00 0.36 H new ATOM 0 HA ILE A 63 -0.151 -1.369 -5.875 1.00 0.33 H new ATOM 0 HB ILE A 63 1.686 -0.256 -3.778 1.00 0.37 H new ATOM 0 HG12 ILE A 63 0.653 -3.091 -4.080 1.00 0.47 H new ATOM 0 HG13 ILE A 63 2.323 -2.577 -4.210 1.00 0.47 H new ATOM 0 HG21 ILE A 63 -0.242 -0.658 -2.308 1.00 0.46 H new ATOM 0 HG22 ILE A 63 -0.627 0.480 -3.621 1.00 0.46 H new ATOM 0 HG23 ILE A 63 -1.192 -1.205 -3.710 1.00 0.46 H new ATOM 0 HD11 ILE A 63 1.862 -3.497 -1.959 1.00 0.56 H new ATOM 0 HD12 ILE A 63 2.271 -1.769 -1.853 1.00 0.56 H new ATOM 0 HD13 ILE A 63 0.575 -2.291 -1.721 1.00 0.56 H new ATOM 926 N ASP A 64 -0.572 1.193 -5.686 1.00 0.51 N ATOM 927 CA ASP A 64 -0.897 2.559 -6.060 1.00 0.69 C ATOM 928 C ASP A 64 -1.800 3.175 -4.990 1.00 0.79 C ATOM 929 O ASP A 64 -2.019 2.577 -3.938 1.00 0.97 O ATOM 930 CB ASP A 64 -1.647 2.601 -7.393 1.00 0.75 C ATOM 931 CG ASP A 64 -0.871 2.046 -8.589 1.00 1.73 C ATOM 932 OD1 ASP A 64 -0.534 0.844 -8.539 1.00 3.18 O ATOM 933 OD2 ASP A 64 -0.633 2.837 -9.527 1.00 2.40 O ATOM 0 H ASP A 64 -1.269 0.734 -5.099 1.00 0.51 H new ATOM 0 HA ASP A 64 0.036 3.114 -6.153 1.00 0.69 H new ATOM 0 HB2 ASP A 64 -2.575 2.039 -7.289 1.00 0.75 H new ATOM 0 HB3 ASP A 64 -1.922 3.634 -7.605 1.00 0.75 H new ATOM 938 N PHE A 65 -2.300 4.364 -5.296 1.00 0.73 N ATOM 939 CA PHE A 65 -3.174 5.068 -4.373 1.00 0.84 C ATOM 940 C PHE A 65 -4.469 4.287 -4.141 1.00 0.87 C ATOM 941 O PHE A 65 -4.870 4.069 -2.999 1.00 0.97 O ATOM 942 CB PHE A 65 -3.513 6.414 -5.017 1.00 0.85 C ATOM 943 CG PHE A 65 -3.296 7.616 -4.096 1.00 1.05 C ATOM 944 CD1 PHE A 65 -3.771 7.592 -2.822 1.00 0.54 C ATOM 945 CD2 PHE A 65 -2.627 8.710 -4.551 1.00 2.15 C ATOM 946 CE1 PHE A 65 -3.570 8.708 -1.967 1.00 0.58 C ATOM 947 CE2 PHE A 65 -2.426 9.826 -3.697 1.00 2.38 C ATOM 948 CZ PHE A 65 -2.901 9.801 -2.423 1.00 1.47 C ATOM 0 H PHE A 65 -2.116 4.857 -6.170 1.00 0.73 H new ATOM 0 HA PHE A 65 -2.678 5.191 -3.410 1.00 0.84 H new ATOM 0 HB2 PHE A 65 -2.904 6.541 -5.912 1.00 0.85 H new ATOM 0 HB3 PHE A 65 -4.554 6.399 -5.339 1.00 0.85 H new ATOM 0 HD1 PHE A 65 -4.301 6.724 -2.460 1.00 0.54 H new ATOM 0 HD2 PHE A 65 -2.249 8.729 -5.562 1.00 2.15 H new ATOM 0 HE1 PHE A 65 -3.948 8.689 -0.956 1.00 0.58 H new ATOM 0 HE2 PHE A 65 -1.896 10.695 -4.059 1.00 2.38 H new ATOM 0 HZ PHE A 65 -2.747 10.650 -1.773 1.00 1.47 H new ATOM 958 N PRO A 66 -5.103 3.876 -5.271 1.00 0.82 N ATOM 959 CA PRO A 66 -6.344 3.124 -5.202 1.00 0.89 C ATOM 960 C PRO A 66 -6.085 1.676 -4.780 1.00 0.91 C ATOM 961 O PRO A 66 -6.697 1.183 -3.834 1.00 1.37 O ATOM 962 CB PRO A 66 -6.952 3.238 -6.591 1.00 0.87 C ATOM 963 CG PRO A 66 -5.814 3.652 -7.510 1.00 0.75 C ATOM 964 CD PRO A 66 -4.657 4.116 -6.641 1.00 0.72 C ATOM 0 HA PRO A 66 -7.029 3.513 -4.449 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -7.384 2.289 -6.907 1.00 0.87 H new ATOM 0 HB3 PRO A 66 -7.755 3.975 -6.607 1.00 0.87 H new ATOM 0 HG2 PRO A 66 -5.508 2.816 -8.138 1.00 0.75 H new ATOM 0 HG3 PRO A 66 -6.134 4.452 -8.178 1.00 0.75 H new ATOM 0 HD2 PRO A 66 -3.746 3.560 -6.864 1.00 0.72 H new ATOM 0 HD3 PRO A 66 -4.435 5.170 -6.806 1.00 0.72 H new ATOM 972 N GLU A 67 -5.178 1.036 -5.503 1.00 0.47 N ATOM 973 CA GLU A 67 -4.830 -0.345 -5.215 1.00 0.44 C ATOM 974 C GLU A 67 -4.686 -0.553 -3.706 1.00 0.42 C ATOM 975 O GLU A 67 -5.364 -1.398 -3.124 1.00 0.48 O ATOM 976 CB GLU A 67 -3.552 -0.753 -5.950 1.00 0.41 C ATOM 977 CG GLU A 67 -3.846 -1.098 -7.411 1.00 0.42 C ATOM 978 CD GLU A 67 -2.586 -1.601 -8.119 1.00 0.41 C ATOM 979 OE1 GLU A 67 -1.487 -1.285 -7.615 1.00 1.62 O ATOM 980 OE2 GLU A 67 -2.751 -2.290 -9.149 1.00 1.40 O ATOM 0 H GLU A 67 -4.673 1.448 -6.288 1.00 0.47 H new ATOM 0 HA GLU A 67 -5.636 -0.985 -5.574 1.00 0.44 H new ATOM 0 HB2 GLU A 67 -2.826 0.059 -5.903 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -3.101 -1.612 -5.453 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -4.624 -1.860 -7.459 1.00 0.42 H new ATOM 0 HG3 GLU A 67 -4.230 -0.218 -7.926 1.00 0.42 H new ATOM 987 N PHE A 68 -3.798 0.233 -3.115 1.00 0.40 N ATOM 988 CA PHE A 68 -3.555 0.146 -1.685 1.00 0.39 C ATOM 989 C PHE A 68 -4.838 0.411 -0.895 1.00 0.43 C ATOM 990 O PHE A 68 -5.221 -0.386 -0.040 1.00 0.34 O ATOM 991 CB PHE A 68 -2.525 1.223 -1.339 1.00 0.44 C ATOM 992 CG PHE A 68 -1.706 0.920 -0.083 1.00 0.61 C ATOM 993 CD1 PHE A 68 -1.247 -0.340 0.142 1.00 1.30 C ATOM 994 CD2 PHE A 68 -1.437 1.911 0.809 1.00 0.40 C ATOM 995 CE1 PHE A 68 -0.487 -0.621 1.308 1.00 1.57 C ATOM 996 CE2 PHE A 68 -0.677 1.630 1.974 1.00 0.47 C ATOM 997 CZ PHE A 68 -0.218 0.370 2.200 1.00 1.09 C ATOM 0 H PHE A 68 -3.238 0.933 -3.601 1.00 0.40 H new ATOM 0 HA PHE A 68 -3.201 -0.852 -1.428 1.00 0.39 H new ATOM 0 HB2 PHE A 68 -1.846 1.346 -2.182 1.00 0.44 H new ATOM 0 HB3 PHE A 68 -3.040 2.174 -1.204 1.00 0.44 H new ATOM 0 HD1 PHE A 68 -1.460 -1.127 -0.566 1.00 1.30 H new ATOM 0 HD2 PHE A 68 -1.802 2.912 0.631 1.00 0.40 H new ATOM 0 HE1 PHE A 68 -0.122 -1.622 1.487 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -0.463 2.417 2.682 1.00 0.47 H new ATOM 0 HZ PHE A 68 0.360 0.156 3.087 1.00 1.09 H new ATOM 1007 N LEU A 69 -5.467 1.534 -1.209 1.00 0.68 N ATOM 1008 CA LEU A 69 -6.699 1.915 -0.538 1.00 0.78 C ATOM 1009 C LEU A 69 -7.572 0.674 -0.343 1.00 0.71 C ATOM 1010 O LEU A 69 -8.178 0.497 0.713 1.00 0.71 O ATOM 1011 CB LEU A 69 -7.396 3.044 -1.299 1.00 1.01 C ATOM 1012 CG LEU A 69 -8.867 2.809 -1.649 1.00 0.97 C ATOM 1013 CD1 LEU A 69 -9.746 2.880 -0.399 1.00 1.70 C ATOM 1014 CD2 LEU A 69 -9.334 3.781 -2.735 1.00 1.79 C ATOM 0 H LEU A 69 -5.147 2.193 -1.919 1.00 0.68 H new ATOM 0 HA LEU A 69 -6.486 2.315 0.453 1.00 0.78 H new ATOM 0 HB2 LEU A 69 -7.326 3.954 -0.703 1.00 1.01 H new ATOM 0 HB3 LEU A 69 -6.848 3.225 -2.223 1.00 1.01 H new ATOM 0 HG LEU A 69 -8.965 1.802 -2.054 1.00 0.97 H new ATOM 0 HD11 LEU A 69 -10.786 2.710 -0.676 1.00 1.70 H new ATOM 0 HD12 LEU A 69 -9.430 2.117 0.312 1.00 1.70 H new ATOM 0 HD13 LEU A 69 -9.649 3.864 0.059 1.00 1.70 H new ATOM 0 HD21 LEU A 69 -10.383 3.593 -2.965 1.00 1.79 H new ATOM 0 HD22 LEU A 69 -9.218 4.805 -2.381 1.00 1.79 H new ATOM 0 HD23 LEU A 69 -8.734 3.638 -3.634 1.00 1.79 H new ATOM 1026 N THR A 70 -7.610 -0.153 -1.378 1.00 0.73 N ATOM 1027 CA THR A 70 -8.399 -1.372 -1.333 1.00 0.74 C ATOM 1028 C THR A 70 -7.778 -2.374 -0.358 1.00 0.62 C ATOM 1029 O THR A 70 -8.482 -2.978 0.449 1.00 0.69 O ATOM 1030 CB THR A 70 -8.521 -1.909 -2.761 1.00 0.84 C ATOM 1031 OG1 THR A 70 -9.452 -1.028 -3.384 1.00 1.02 O ATOM 1032 CG2 THR A 70 -9.207 -3.276 -2.816 1.00 0.93 C ATOM 0 H THR A 70 -7.107 -0.002 -2.253 1.00 0.73 H new ATOM 0 HA THR A 70 -9.403 -1.179 -0.956 1.00 0.74 H new ATOM 0 HB THR A 70 -7.529 -1.983 -3.207 1.00 0.84 H new ATOM 0 HG1 THR A 70 -9.589 -1.302 -4.315 1.00 1.02 H new ATOM 0 HG21 THR A 70 -9.268 -3.611 -3.851 1.00 0.93 H new ATOM 0 HG22 THR A 70 -8.631 -3.996 -2.235 1.00 0.93 H new ATOM 0 HG23 THR A 70 -10.212 -3.196 -2.401 1.00 0.93 H new ATOM 1040 N MET A 71 -6.465 -2.520 -0.465 1.00 0.53 N ATOM 1041 CA MET A 71 -5.741 -3.439 0.397 1.00 0.48 C ATOM 1042 C MET A 71 -6.097 -3.206 1.867 1.00 0.50 C ATOM 1043 O MET A 71 -6.601 -4.106 2.537 1.00 0.58 O ATOM 1044 CB MET A 71 -4.237 -3.247 0.198 1.00 0.45 C ATOM 1045 CG MET A 71 -3.440 -4.202 1.090 1.00 0.49 C ATOM 1046 SD MET A 71 -2.379 -3.273 2.184 1.00 2.15 S ATOM 1047 CE MET A 71 -0.806 -4.027 1.805 1.00 2.42 C ATOM 0 H MET A 71 -5.884 -2.017 -1.136 1.00 0.53 H new ATOM 0 HA MET A 71 -6.024 -4.458 0.131 1.00 0.48 H new ATOM 0 HB2 MET A 71 -3.980 -3.420 -0.847 1.00 0.45 H new ATOM 0 HB3 MET A 71 -3.965 -2.217 0.427 1.00 0.45 H new ATOM 0 HG2 MET A 71 -4.121 -4.823 1.672 1.00 0.49 H new ATOM 0 HG3 MET A 71 -2.842 -4.874 0.474 1.00 0.49 H new ATOM 0 HE1 MET A 71 -0.025 -3.561 2.406 1.00 2.42 H new ATOM 0 HE2 MET A 71 -0.850 -5.093 2.030 1.00 2.42 H new ATOM 0 HE3 MET A 71 -0.581 -3.888 0.747 1.00 2.42 H new ATOM 1057 N MET A 72 -5.819 -1.994 2.325 1.00 0.48 N ATOM 1058 CA MET A 72 -6.103 -1.632 3.703 1.00 0.54 C ATOM 1059 C MET A 72 -7.548 -1.972 4.073 1.00 0.54 C ATOM 1060 O MET A 72 -7.791 -2.723 5.016 1.00 0.62 O ATOM 1061 CB MET A 72 -5.865 -0.133 3.897 1.00 0.56 C ATOM 1062 CG MET A 72 -5.278 0.155 5.280 1.00 1.20 C ATOM 1063 SD MET A 72 -6.294 1.345 6.138 1.00 2.36 S ATOM 1064 CE MET A 72 -5.356 1.522 7.647 1.00 2.94 C ATOM 0 H MET A 72 -5.400 -1.251 1.766 1.00 0.48 H new ATOM 0 HA MET A 72 -5.438 -2.201 4.353 1.00 0.54 H new ATOM 0 HB2 MET A 72 -5.187 0.234 3.127 1.00 0.56 H new ATOM 0 HB3 MET A 72 -6.805 0.406 3.777 1.00 0.56 H new ATOM 0 HG2 MET A 72 -5.217 -0.767 5.858 1.00 1.20 H new ATOM 0 HG3 MET A 72 -4.262 0.536 5.181 1.00 1.20 H new ATOM 0 HE1 MET A 72 -5.854 2.236 8.303 1.00 2.94 H new ATOM 0 HE2 MET A 72 -5.286 0.556 8.148 1.00 2.94 H new ATOM 0 HE3 MET A 72 -4.354 1.882 7.413 1.00 2.94 H new ATOM 1074 N ALA A 73 -8.470 -1.403 3.310 1.00 0.49 N ATOM 1075 CA ALA A 73 -9.884 -1.636 3.546 1.00 0.53 C ATOM 1076 C ALA A 73 -10.121 -3.132 3.765 1.00 0.61 C ATOM 1077 O ALA A 73 -10.693 -3.532 4.778 1.00 0.70 O ATOM 1078 CB ALA A 73 -10.695 -1.084 2.372 1.00 0.51 C ATOM 0 H ALA A 73 -8.265 -0.781 2.528 1.00 0.49 H new ATOM 0 HA ALA A 73 -10.214 -1.115 4.445 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -11.756 -1.259 2.549 1.00 0.51 H new ATOM 0 HB2 ALA A 73 -10.514 -0.013 2.277 1.00 0.51 H new ATOM 0 HB3 ALA A 73 -10.393 -1.586 1.453 1.00 0.51 H new ATOM 1084 N ARG A 74 -9.668 -3.918 2.800 1.00 0.61 N ATOM 1085 CA ARG A 74 -9.823 -5.361 2.874 1.00 0.71 C ATOM 1086 C ARG A 74 -9.103 -5.909 4.109 1.00 0.76 C ATOM 1087 O ARG A 74 -9.603 -6.816 4.772 1.00 0.90 O ATOM 1088 CB ARG A 74 -9.264 -6.041 1.623 1.00 0.72 C ATOM 1089 CG ARG A 74 -9.955 -5.520 0.361 1.00 0.87 C ATOM 1090 CD ARG A 74 -10.493 -6.675 -0.486 1.00 1.20 C ATOM 1091 NE ARG A 74 -11.907 -6.424 -0.845 1.00 1.69 N ATOM 1092 CZ ARG A 74 -12.529 -6.990 -1.888 1.00 2.36 C ATOM 1093 NH1 ARG A 74 -11.866 -7.843 -2.681 1.00 3.03 N ATOM 1094 NH2 ARG A 74 -13.813 -6.703 -2.139 1.00 3.41 N ATOM 0 H ARG A 74 -9.193 -3.583 1.962 1.00 0.61 H new ATOM 0 HA ARG A 74 -10.889 -5.577 2.944 1.00 0.71 H new ATOM 0 HB2 ARG A 74 -8.191 -5.861 1.555 1.00 0.72 H new ATOM 0 HB3 ARG A 74 -9.402 -7.120 1.699 1.00 0.72 H new ATOM 0 HG2 ARG A 74 -10.773 -4.856 0.638 1.00 0.87 H new ATOM 0 HG3 ARG A 74 -9.251 -4.931 -0.226 1.00 0.87 H new ATOM 0 HD2 ARG A 74 -9.894 -6.784 -1.390 1.00 1.20 H new ATOM 0 HD3 ARG A 74 -10.410 -7.611 0.066 1.00 1.20 H new ATOM 0 HE ARG A 74 -12.441 -5.780 -0.262 1.00 1.69 H new ATOM 0 HH11 ARG A 74 -10.888 -8.061 -2.490 1.00 3.03 H new ATOM 0 HH12 ARG A 74 -12.339 -8.274 -3.475 1.00 3.03 H new ATOM 0 HH21 ARG A 74 -14.318 -6.053 -1.536 1.00 3.41 H new ATOM 0 HH22 ARG A 74 -14.286 -7.134 -2.933 1.00 3.41 H new ATOM 1108 N LYS A 75 -7.940 -5.334 4.379 1.00 0.69 N ATOM 1109 CA LYS A 75 -7.147 -5.754 5.522 1.00 0.78 C ATOM 1110 C LYS A 75 -8.070 -5.999 6.717 1.00 0.81 C ATOM 1111 O LYS A 75 -8.108 -7.102 7.260 1.00 0.92 O ATOM 1112 CB LYS A 75 -6.034 -4.741 5.802 1.00 0.84 C ATOM 1113 CG LYS A 75 -4.679 -5.438 5.933 1.00 0.89 C ATOM 1114 CD LYS A 75 -4.455 -5.941 7.360 1.00 2.33 C ATOM 1115 CE LYS A 75 -4.869 -7.408 7.495 1.00 2.28 C ATOM 1116 NZ LYS A 75 -4.466 -7.940 8.816 1.00 3.58 N ATOM 0 H LYS A 75 -7.528 -4.582 3.827 1.00 0.69 H new ATOM 0 HA LYS A 75 -6.644 -6.697 5.310 1.00 0.78 H new ATOM 0 HB2 LYS A 75 -5.993 -4.008 4.996 1.00 0.84 H new ATOM 0 HB3 LYS A 75 -6.256 -4.195 6.719 1.00 0.84 H new ATOM 0 HG2 LYS A 75 -4.628 -6.275 5.237 1.00 0.89 H new ATOM 0 HG3 LYS A 75 -3.883 -4.746 5.659 1.00 0.89 H new ATOM 0 HD2 LYS A 75 -3.404 -5.830 7.628 1.00 2.33 H new ATOM 0 HD3 LYS A 75 -5.028 -5.332 8.059 1.00 2.33 H new ATOM 0 HE2 LYS A 75 -5.948 -7.500 7.373 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -4.407 -7.997 6.703 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -4.754 -8.936 8.892 1.00 3.58 H new ATOM 0 HZ2 LYS A 75 -3.433 -7.870 8.918 1.00 3.58 H new ATOM 0 HZ3 LYS A 75 -4.927 -7.388 9.568 1.00 3.58 H new ATOM 1130 N MET A 76 -8.793 -4.953 7.090 1.00 0.77 N ATOM 1131 CA MET A 76 -9.714 -5.042 8.210 1.00 0.88 C ATOM 1132 C MET A 76 -10.720 -6.176 8.005 1.00 0.99 C ATOM 1133 O MET A 76 -10.978 -6.955 8.921 1.00 1.24 O ATOM 1134 CB MET A 76 -10.463 -3.716 8.361 1.00 0.96 C ATOM 1135 CG MET A 76 -9.663 -2.728 9.213 1.00 1.91 C ATOM 1136 SD MET A 76 -10.724 -1.407 9.774 1.00 2.15 S ATOM 1137 CE MET A 76 -10.918 -1.873 11.487 1.00 3.61 C ATOM 0 H MET A 76 -8.759 -4.040 6.637 1.00 0.77 H new ATOM 0 HA MET A 76 -9.140 -5.251 9.113 1.00 0.88 H new ATOM 0 HB2 MET A 76 -10.649 -3.285 7.377 1.00 0.96 H new ATOM 0 HB3 MET A 76 -11.435 -3.894 8.820 1.00 0.96 H new ATOM 0 HG2 MET A 76 -9.227 -3.243 10.069 1.00 1.91 H new ATOM 0 HG3 MET A 76 -8.837 -2.320 8.631 1.00 1.91 H new ATOM 0 HE1 MET A 76 -11.558 -1.149 11.991 1.00 3.61 H new ATOM 0 HE2 MET A 76 -11.373 -2.862 11.546 1.00 3.61 H new ATOM 0 HE3 MET A 76 -9.942 -1.893 11.971 1.00 3.61 H new ATOM 1147 N LYS A 77 -11.261 -6.233 6.797 1.00 0.92 N ATOM 1148 CA LYS A 77 -12.233 -7.259 6.459 1.00 1.07 C ATOM 1149 C LYS A 77 -11.626 -8.638 6.727 1.00 1.21 C ATOM 1150 O LYS A 77 -12.180 -9.426 7.491 1.00 1.47 O ATOM 1151 CB LYS A 77 -12.731 -7.074 5.024 1.00 1.02 C ATOM 1152 CG LYS A 77 -14.246 -7.269 4.941 1.00 1.13 C ATOM 1153 CD LYS A 77 -14.830 -6.516 3.744 1.00 1.44 C ATOM 1154 CE LYS A 77 -14.956 -5.021 4.045 1.00 1.95 C ATOM 1155 NZ LYS A 77 -15.640 -4.324 2.933 1.00 2.81 N ATOM 0 H LYS A 77 -11.045 -5.585 6.040 1.00 0.92 H new ATOM 0 HA LYS A 77 -13.116 -7.170 7.092 1.00 1.07 H new ATOM 0 HB2 LYS A 77 -12.469 -6.077 4.670 1.00 1.02 H new ATOM 0 HB3 LYS A 77 -12.232 -7.787 4.367 1.00 1.02 H new ATOM 0 HG2 LYS A 77 -14.476 -8.331 4.854 1.00 1.13 H new ATOM 0 HG3 LYS A 77 -14.713 -6.916 5.861 1.00 1.13 H new ATOM 0 HD2 LYS A 77 -14.193 -6.663 2.872 1.00 1.44 H new ATOM 0 HD3 LYS A 77 -15.810 -6.924 3.496 1.00 1.44 H new ATOM 0 HE2 LYS A 77 -15.513 -4.876 4.970 1.00 1.95 H new ATOM 0 HE3 LYS A 77 -13.967 -4.590 4.198 1.00 1.95 H new ATOM 0 HZ1 LYS A 77 -15.717 -3.311 3.154 1.00 2.81 H new ATOM 0 HZ2 LYS A 77 -15.093 -4.447 2.057 1.00 2.81 H new ATOM 0 HZ3 LYS A 77 -16.592 -4.724 2.806 1.00 2.81 H new ATOM 1169 N ASP A 78 -10.495 -8.887 6.082 1.00 1.16 N ATOM 1170 CA ASP A 78 -9.807 -10.157 6.241 1.00 1.43 C ATOM 1171 C ASP A 78 -9.572 -10.422 7.729 1.00 1.59 C ATOM 1172 O ASP A 78 -10.063 -11.410 8.272 1.00 1.84 O ATOM 1173 CB ASP A 78 -8.446 -10.136 5.544 1.00 1.49 C ATOM 1174 CG ASP A 78 -7.516 -11.296 5.907 1.00 2.15 C ATOM 1175 OD1 ASP A 78 -7.814 -12.424 5.458 1.00 2.42 O ATOM 1176 OD2 ASP A 78 -6.528 -11.028 6.624 1.00 3.57 O ATOM 0 H ASP A 78 -10.038 -8.231 5.449 1.00 1.16 H new ATOM 0 HA ASP A 78 -10.428 -10.935 5.797 1.00 1.43 H new ATOM 0 HB2 ASP A 78 -8.607 -10.142 4.466 1.00 1.49 H new ATOM 0 HB3 ASP A 78 -7.945 -9.199 5.786 1.00 1.49 H new ATOM 1181 N THR A 79 -8.822 -9.521 8.347 1.00 1.47 N ATOM 1182 CA THR A 79 -8.516 -9.646 9.762 1.00 1.65 C ATOM 1183 C THR A 79 -9.802 -9.623 10.590 1.00 1.75 C ATOM 1184 O THR A 79 -9.837 -10.142 11.704 1.00 2.00 O ATOM 1185 CB THR A 79 -7.535 -8.532 10.133 1.00 1.52 C ATOM 1186 OG1 THR A 79 -6.916 -8.999 11.328 1.00 2.23 O ATOM 1187 CG2 THR A 79 -8.244 -7.245 10.560 1.00 1.53 C ATOM 0 H THR A 79 -8.417 -8.702 7.894 1.00 1.47 H new ATOM 0 HA THR A 79 -8.043 -10.603 9.981 1.00 1.65 H new ATOM 0 HB THR A 79 -6.885 -8.324 9.283 1.00 1.52 H new ATOM 0 HG1 THR A 79 -6.263 -8.338 11.638 1.00 2.23 H new ATOM 0 HG21 THR A 79 -7.502 -6.487 10.812 1.00 1.53 H new ATOM 0 HG22 THR A 79 -8.867 -6.884 9.742 1.00 1.53 H new ATOM 0 HG23 THR A 79 -8.869 -7.445 11.431 1.00 1.53 H new