USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 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 Set 1.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl 174:sc= -0.354 (180deg=-0.439) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -133:sc= -0.13 (180deg=-0.221) USER MOD Set 2.2: A 38 SER OG : rot 87:sc= 0.714 USER MOD Single : A 5 THR OG1 : rot 180:sc=0.000906 USER MOD Single : A 8 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 35:sc= -0.291 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.847 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.611 K(o=-0.61,f=-0.025) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 177:sc= -0.0751 (180deg=-0.0863) USER MOD Single : A 53 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.083) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -145:sc= -6.02! (180deg=-8.29!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N LEU A 4 -16.269 4.284 4.403 1.00 0.82 N ATOM 41 CA LEU A 4 -15.057 4.635 5.124 1.00 0.67 C ATOM 42 C LEU A 4 -14.111 5.386 4.186 1.00 0.63 C ATOM 43 O LEU A 4 -13.388 6.284 4.617 1.00 0.88 O ATOM 44 CB LEU A 4 -14.433 3.391 5.760 1.00 1.10 C ATOM 45 CG LEU A 4 -13.864 2.355 4.788 1.00 0.84 C ATOM 46 CD1 LEU A 4 -14.951 1.828 3.849 1.00 2.72 C ATOM 47 CD2 LEU A 4 -12.669 2.922 4.020 1.00 2.78 C ATOM 0 HA LEU A 4 -15.286 5.307 5.951 1.00 0.67 H new ATOM 0 HB2 LEU A 4 -13.633 3.711 6.428 1.00 1.10 H new ATOM 0 HB3 LEU A 4 -15.189 2.905 6.377 1.00 1.10 H new ATOM 0 HG LEU A 4 -13.501 1.507 5.368 1.00 0.84 H new ATOM 0 HD11 LEU A 4 -14.520 1.094 3.169 1.00 2.72 H new ATOM 0 HD12 LEU A 4 -15.742 1.360 4.435 1.00 2.72 H new ATOM 0 HD13 LEU A 4 -15.367 2.655 3.273 1.00 2.72 H new ATOM 0 HD21 LEU A 4 -12.284 2.165 3.336 1.00 2.78 H new ATOM 0 HD22 LEU A 4 -12.984 3.798 3.452 1.00 2.78 H new ATOM 0 HD23 LEU A 4 -11.887 3.207 4.723 1.00 2.78 H new ATOM 59 N THR A 5 -14.146 4.993 2.921 1.00 0.62 N ATOM 60 CA THR A 5 -13.301 5.618 1.919 1.00 0.63 C ATOM 61 C THR A 5 -13.186 7.121 2.181 1.00 0.54 C ATOM 62 O THR A 5 -12.158 7.730 1.886 1.00 0.54 O ATOM 63 CB THR A 5 -13.875 5.284 0.541 1.00 0.78 C ATOM 64 OG1 THR A 5 -15.274 5.509 0.684 1.00 2.58 O ATOM 65 CG2 THR A 5 -13.769 3.794 0.208 1.00 2.27 C ATOM 0 H THR A 5 -14.747 4.249 2.567 1.00 0.62 H new ATOM 0 HA THR A 5 -12.282 5.233 1.965 1.00 0.63 H new ATOM 0 HB THR A 5 -13.353 5.864 -0.220 1.00 0.78 H new ATOM 0 HG1 THR A 5 -15.725 5.318 -0.165 1.00 2.58 H new ATOM 0 HG21 THR A 5 -14.191 3.611 -0.780 1.00 2.27 H new ATOM 0 HG22 THR A 5 -12.721 3.493 0.217 1.00 2.27 H new ATOM 0 HG23 THR A 5 -14.319 3.215 0.950 1.00 2.27 H new ATOM 73 N GLU A 6 -14.255 7.677 2.732 1.00 0.57 N ATOM 74 CA GLU A 6 -14.287 9.097 3.037 1.00 0.59 C ATOM 75 C GLU A 6 -13.212 9.443 4.070 1.00 0.52 C ATOM 76 O GLU A 6 -12.351 10.284 3.817 1.00 0.55 O ATOM 77 CB GLU A 6 -15.673 9.522 3.525 1.00 0.73 C ATOM 78 CG GLU A 6 -15.712 11.021 3.831 1.00 1.12 C ATOM 79 CD GLU A 6 -15.878 11.270 5.331 1.00 2.89 C ATOM 80 OE1 GLU A 6 -16.612 10.478 5.960 1.00 4.02 O ATOM 81 OE2 GLU A 6 -15.267 12.247 5.815 1.00 4.11 O ATOM 0 H GLU A 6 -15.106 7.169 2.975 1.00 0.57 H new ATOM 0 HA GLU A 6 -14.075 9.650 2.122 1.00 0.59 H new ATOM 0 HB2 GLU A 6 -16.418 9.283 2.767 1.00 0.73 H new ATOM 0 HB3 GLU A 6 -15.936 8.958 4.420 1.00 0.73 H new ATOM 0 HG2 GLU A 6 -14.793 11.491 3.480 1.00 1.12 H new ATOM 0 HG3 GLU A 6 -16.535 11.485 3.288 1.00 1.12 H new ATOM 88 N GLU A 7 -13.299 8.776 5.212 1.00 0.52 N ATOM 89 CA GLU A 7 -12.344 9.002 6.284 1.00 0.55 C ATOM 90 C GLU A 7 -10.969 8.457 5.894 1.00 0.51 C ATOM 91 O GLU A 7 -9.945 9.052 6.227 1.00 0.55 O ATOM 92 CB GLU A 7 -12.831 8.376 7.592 1.00 0.68 C ATOM 93 CG GLU A 7 -13.262 6.924 7.378 1.00 0.84 C ATOM 94 CD GLU A 7 -13.271 6.154 8.701 1.00 1.24 C ATOM 95 OE1 GLU A 7 -13.766 6.734 9.691 1.00 1.95 O ATOM 96 OE2 GLU A 7 -12.783 5.004 8.692 1.00 2.14 O ATOM 0 H GLU A 7 -14.015 8.080 5.418 1.00 0.52 H new ATOM 0 HA GLU A 7 -12.255 10.076 6.444 1.00 0.55 H new ATOM 0 HB2 GLU A 7 -12.036 8.417 8.337 1.00 0.68 H new ATOM 0 HB3 GLU A 7 -13.668 8.953 7.986 1.00 0.68 H new ATOM 0 HG2 GLU A 7 -14.256 6.898 6.931 1.00 0.84 H new ATOM 0 HG3 GLU A 7 -12.584 6.439 6.676 1.00 0.84 H new ATOM 103 N GLN A 8 -10.990 7.332 5.194 1.00 0.50 N ATOM 104 CA GLN A 8 -9.757 6.700 4.756 1.00 0.50 C ATOM 105 C GLN A 8 -9.020 7.606 3.767 1.00 0.49 C ATOM 106 O GLN A 8 -7.847 7.920 3.964 1.00 0.55 O ATOM 107 CB GLN A 8 -10.034 5.327 4.141 1.00 0.53 C ATOM 108 CG GLN A 8 -9.746 4.209 5.144 1.00 1.44 C ATOM 109 CD GLN A 8 -8.307 4.291 5.659 1.00 2.13 C ATOM 110 OE1 GLN A 8 -7.385 4.649 4.945 1.00 2.93 O ATOM 111 NE2 GLN A 8 -8.168 3.940 6.934 1.00 3.06 N ATOM 0 H GLN A 8 -11.841 6.842 4.919 1.00 0.50 H new ATOM 0 HA GLN A 8 -9.118 6.549 5.626 1.00 0.50 H new ATOM 0 HB2 GLN A 8 -11.074 5.272 3.818 1.00 0.53 H new ATOM 0 HB3 GLN A 8 -9.417 5.191 3.253 1.00 0.53 H new ATOM 0 HG2 GLN A 8 -10.440 4.279 5.981 1.00 1.44 H new ATOM 0 HG3 GLN A 8 -9.913 3.241 4.672 1.00 1.44 H new ATOM 0 HE21 GLN A 8 -8.983 3.650 7.475 1.00 3.06 H new ATOM 0 HE22 GLN A 8 -7.247 3.961 7.371 1.00 3.06 H new ATOM 120 N ILE A 9 -9.737 7.999 2.725 1.00 0.48 N ATOM 121 CA ILE A 9 -9.165 8.862 1.706 1.00 0.52 C ATOM 122 C ILE A 9 -8.492 10.061 2.377 1.00 0.50 C ATOM 123 O ILE A 9 -7.424 10.497 1.950 1.00 0.55 O ATOM 124 CB ILE A 9 -10.227 9.251 0.675 1.00 0.68 C ATOM 125 CG1 ILE A 9 -10.592 8.059 -0.213 1.00 1.27 C ATOM 126 CG2 ILE A 9 -9.778 10.461 -0.146 1.00 2.21 C ATOM 127 CD1 ILE A 9 -9.560 7.869 -1.326 1.00 2.50 C ATOM 0 H ILE A 9 -10.709 7.736 2.564 1.00 0.48 H new ATOM 0 HA ILE A 9 -8.392 8.332 1.149 1.00 0.52 H new ATOM 0 HB ILE A 9 -11.131 9.543 1.210 1.00 0.68 H new ATOM 0 HG12 ILE A 9 -10.650 7.154 0.392 1.00 1.27 H new ATOM 0 HG13 ILE A 9 -11.579 8.215 -0.649 1.00 1.27 H new ATOM 0 HG21 ILE A 9 -10.551 10.716 -0.871 1.00 2.21 H new ATOM 0 HG22 ILE A 9 -9.609 11.309 0.518 1.00 2.21 H new ATOM 0 HG23 ILE A 9 -8.853 10.222 -0.671 1.00 2.21 H new ATOM 0 HD11 ILE A 9 -9.843 7.016 -1.943 1.00 2.50 H new ATOM 0 HD12 ILE A 9 -9.522 8.766 -1.944 1.00 2.50 H new ATOM 0 HD13 ILE A 9 -8.579 7.689 -0.886 1.00 2.50 H new ATOM 139 N ALA A 10 -9.144 10.559 3.417 1.00 0.53 N ATOM 140 CA ALA A 10 -8.622 11.699 4.151 1.00 0.57 C ATOM 141 C ALA A 10 -7.175 11.417 4.561 1.00 0.52 C ATOM 142 O ALA A 10 -6.271 12.178 4.223 1.00 0.55 O ATOM 143 CB ALA A 10 -9.523 11.988 5.354 1.00 0.63 C ATOM 0 H ALA A 10 -10.029 10.194 3.769 1.00 0.53 H new ATOM 0 HA ALA A 10 -8.619 12.591 3.524 1.00 0.57 H new ATOM 0 HB1 ALA A 10 -9.131 12.843 5.905 1.00 0.63 H new ATOM 0 HB2 ALA A 10 -10.532 12.211 5.008 1.00 0.63 H new ATOM 0 HB3 ALA A 10 -9.548 11.116 6.008 1.00 0.63 H new ATOM 149 N GLU A 11 -7.002 10.320 5.284 1.00 0.51 N ATOM 150 CA GLU A 11 -5.681 9.928 5.744 1.00 0.57 C ATOM 151 C GLU A 11 -4.816 9.488 4.561 1.00 0.50 C ATOM 152 O GLU A 11 -3.668 9.911 4.435 1.00 0.53 O ATOM 153 CB GLU A 11 -5.773 8.821 6.797 1.00 0.70 C ATOM 154 CG GLU A 11 -5.303 9.325 8.163 1.00 1.30 C ATOM 155 CD GLU A 11 -5.234 8.179 9.175 1.00 1.84 C ATOM 156 OE1 GLU A 11 -4.635 7.142 8.819 1.00 2.92 O ATOM 157 OE2 GLU A 11 -5.782 8.367 10.283 1.00 2.21 O ATOM 0 H GLU A 11 -7.755 9.691 5.562 1.00 0.51 H new ATOM 0 HA GLU A 11 -5.210 10.792 6.213 1.00 0.57 H new ATOM 0 HB2 GLU A 11 -6.802 8.468 6.870 1.00 0.70 H new ATOM 0 HB3 GLU A 11 -5.165 7.970 6.490 1.00 0.70 H new ATOM 0 HG2 GLU A 11 -4.321 9.789 8.066 1.00 1.30 H new ATOM 0 HG3 GLU A 11 -5.985 10.095 8.525 1.00 1.30 H new ATOM 164 N PHE A 12 -5.401 8.644 3.723 1.00 0.46 N ATOM 165 CA PHE A 12 -4.698 8.143 2.554 1.00 0.49 C ATOM 166 C PHE A 12 -4.014 9.282 1.795 1.00 0.46 C ATOM 167 O PHE A 12 -2.895 9.125 1.308 1.00 0.51 O ATOM 168 CB PHE A 12 -5.745 7.496 1.646 1.00 0.63 C ATOM 169 CG PHE A 12 -5.513 6.006 1.390 1.00 1.00 C ATOM 170 CD1 PHE A 12 -5.645 5.113 2.407 1.00 1.11 C ATOM 171 CD2 PHE A 12 -5.174 5.574 0.146 1.00 1.71 C ATOM 172 CE1 PHE A 12 -5.429 3.730 2.170 1.00 1.61 C ATOM 173 CE2 PHE A 12 -4.958 4.191 -0.092 1.00 2.28 C ATOM 174 CZ PHE A 12 -5.090 3.298 0.926 1.00 2.13 C ATOM 0 H PHE A 12 -6.353 8.295 3.830 1.00 0.46 H new ATOM 0 HA PHE A 12 -3.929 7.433 2.858 1.00 0.49 H new ATOM 0 HB2 PHE A 12 -6.730 7.628 2.094 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -5.756 8.021 0.691 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -5.914 5.456 3.395 1.00 1.11 H new ATOM 0 HD2 PHE A 12 -5.069 6.283 -0.662 1.00 1.71 H new ATOM 0 HE1 PHE A 12 -5.534 3.021 2.978 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.689 3.848 -1.080 1.00 2.28 H new ATOM 0 HZ PHE A 12 -4.926 2.246 0.746 1.00 2.13 H new ATOM 184 N LYS A 13 -4.716 10.403 1.717 1.00 0.47 N ATOM 185 CA LYS A 13 -4.190 11.568 1.025 1.00 0.52 C ATOM 186 C LYS A 13 -2.795 11.889 1.564 1.00 0.48 C ATOM 187 O LYS A 13 -1.825 11.920 0.807 1.00 0.52 O ATOM 188 CB LYS A 13 -5.172 12.737 1.124 1.00 0.60 C ATOM 189 CG LYS A 13 -4.940 13.744 -0.005 1.00 0.90 C ATOM 190 CD LYS A 13 -6.167 13.840 -0.914 1.00 1.05 C ATOM 191 CE LYS A 13 -5.958 13.041 -2.202 1.00 1.79 C ATOM 192 NZ LYS A 13 -6.368 13.838 -3.379 1.00 2.48 N ATOM 0 H LYS A 13 -5.644 10.529 2.121 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.081 11.362 -0.040 1.00 0.52 H new ATOM 0 HB2 LYS A 13 -6.195 12.363 1.078 1.00 0.60 H new ATOM 0 HB3 LYS A 13 -5.057 13.233 2.088 1.00 0.60 H new ATOM 0 HG2 LYS A 13 -4.718 14.724 0.417 1.00 0.90 H new ATOM 0 HG3 LYS A 13 -4.071 13.445 -0.591 1.00 0.90 H new ATOM 0 HD2 LYS A 13 -7.045 13.465 -0.387 1.00 1.05 H new ATOM 0 HD3 LYS A 13 -6.363 14.884 -1.157 1.00 1.05 H new ATOM 0 HE2 LYS A 13 -4.910 12.757 -2.295 1.00 1.79 H new ATOM 0 HE3 LYS A 13 -6.536 12.118 -2.162 1.00 1.79 H new ATOM 0 HZ1 LYS A 13 -6.220 13.281 -4.244 1.00 2.48 H new ATOM 0 HZ2 LYS A 13 -7.374 14.087 -3.296 1.00 2.48 H new ATOM 0 HZ3 LYS A 13 -5.799 14.707 -3.425 1.00 2.48 H new ATOM 206 N GLU A 14 -2.737 12.120 2.867 1.00 0.47 N ATOM 207 CA GLU A 14 -1.476 12.437 3.515 1.00 0.50 C ATOM 208 C GLU A 14 -0.566 11.208 3.538 1.00 0.47 C ATOM 209 O GLU A 14 0.646 11.324 3.360 1.00 0.53 O ATOM 210 CB GLU A 14 -1.706 12.975 4.929 1.00 0.61 C ATOM 211 CG GLU A 14 -1.539 14.495 4.972 1.00 1.16 C ATOM 212 CD GLU A 14 -0.774 14.927 6.225 1.00 2.13 C ATOM 213 OE1 GLU A 14 -1.261 14.598 7.329 1.00 2.32 O ATOM 214 OE2 GLU A 14 0.280 15.576 6.051 1.00 3.58 O ATOM 0 H GLU A 14 -3.543 12.094 3.492 1.00 0.47 H new ATOM 0 HA GLU A 14 -0.982 13.220 2.939 1.00 0.50 H new ATOM 0 HB2 GLU A 14 -2.707 12.706 5.266 1.00 0.61 H new ATOM 0 HB3 GLU A 14 -1.002 12.509 5.618 1.00 0.61 H new ATOM 0 HG2 GLU A 14 -1.006 14.831 4.082 1.00 1.16 H new ATOM 0 HG3 GLU A 14 -2.519 14.973 4.957 1.00 1.16 H new ATOM 221 N ALA A 15 -1.185 10.057 3.758 1.00 0.48 N ATOM 222 CA ALA A 15 -0.445 8.807 3.806 1.00 0.56 C ATOM 223 C ALA A 15 0.338 8.633 2.504 1.00 0.55 C ATOM 224 O ALA A 15 1.531 8.332 2.529 1.00 0.56 O ATOM 225 CB ALA A 15 -1.414 7.651 4.063 1.00 0.67 C ATOM 0 H ALA A 15 -2.190 9.964 3.905 1.00 0.48 H new ATOM 0 HA ALA A 15 0.275 8.818 4.624 1.00 0.56 H new ATOM 0 HB1 ALA A 15 -0.860 6.713 4.099 1.00 0.67 H new ATOM 0 HB2 ALA A 15 -1.924 7.808 5.013 1.00 0.67 H new ATOM 0 HB3 ALA A 15 -2.149 7.607 3.260 1.00 0.67 H new ATOM 231 N PHE A 16 -0.363 8.829 1.398 1.00 0.59 N ATOM 232 CA PHE A 16 0.252 8.697 0.088 1.00 0.67 C ATOM 233 C PHE A 16 1.687 9.228 0.100 1.00 0.58 C ATOM 234 O PHE A 16 2.614 8.531 -0.310 1.00 0.63 O ATOM 235 CB PHE A 16 -0.581 9.535 -0.884 1.00 0.79 C ATOM 236 CG PHE A 16 -0.092 9.478 -2.333 1.00 0.98 C ATOM 237 CD1 PHE A 16 -0.121 8.300 -3.014 1.00 0.74 C ATOM 238 CD2 PHE A 16 0.372 10.603 -2.939 1.00 1.58 C ATOM 239 CE1 PHE A 16 0.333 8.247 -4.358 1.00 0.99 C ATOM 240 CE2 PHE A 16 0.826 10.549 -4.284 1.00 1.86 C ATOM 241 CZ PHE A 16 0.797 9.372 -4.965 1.00 1.52 C ATOM 0 H PHE A 16 -1.352 9.078 1.381 1.00 0.59 H new ATOM 0 HA PHE A 16 0.284 7.647 -0.204 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -1.616 9.194 -0.847 1.00 0.79 H new ATOM 0 HB3 PHE A 16 -0.575 10.573 -0.550 1.00 0.79 H new ATOM 0 HD1 PHE A 16 -0.489 7.406 -2.532 1.00 0.74 H new ATOM 0 HD2 PHE A 16 0.395 11.537 -2.398 1.00 1.58 H new ATOM 0 HE1 PHE A 16 0.310 7.312 -4.899 1.00 0.99 H new ATOM 0 HE2 PHE A 16 1.194 11.443 -4.766 1.00 1.86 H new ATOM 0 HZ PHE A 16 1.142 9.331 -5.987 1.00 1.52 H new ATOM 251 N SER A 17 1.825 10.457 0.576 1.00 0.55 N ATOM 252 CA SER A 17 3.131 11.089 0.647 1.00 0.51 C ATOM 253 C SER A 17 4.168 10.090 1.165 1.00 0.43 C ATOM 254 O SER A 17 5.179 9.843 0.509 1.00 0.42 O ATOM 255 CB SER A 17 3.095 12.329 1.543 1.00 0.52 C ATOM 256 OG SER A 17 4.196 13.199 1.295 1.00 1.38 O ATOM 0 H SER A 17 1.054 11.032 0.916 1.00 0.55 H new ATOM 0 HA SER A 17 3.412 11.407 -0.357 1.00 0.51 H new ATOM 0 HB2 SER A 17 2.162 12.868 1.378 1.00 0.52 H new ATOM 0 HB3 SER A 17 3.105 12.021 2.589 1.00 0.52 H new ATOM 0 HG SER A 17 4.136 13.979 1.885 1.00 1.38 H new ATOM 262 N LEU A 18 3.883 9.544 2.338 1.00 0.43 N ATOM 263 CA LEU A 18 4.778 8.578 2.951 1.00 0.40 C ATOM 264 C LEU A 18 4.740 7.274 2.152 1.00 0.38 C ATOM 265 O LEU A 18 5.781 6.759 1.746 1.00 0.43 O ATOM 266 CB LEU A 18 4.441 8.401 4.433 1.00 0.44 C ATOM 267 CG LEU A 18 4.712 9.609 5.332 1.00 0.53 C ATOM 268 CD1 LEU A 18 3.679 9.699 6.456 1.00 0.74 C ATOM 269 CD2 LEU A 18 6.144 9.582 5.870 1.00 0.55 C ATOM 0 H LEU A 18 3.045 9.752 2.880 1.00 0.43 H new ATOM 0 HA LEU A 18 5.806 8.940 2.922 1.00 0.40 H new ATOM 0 HB2 LEU A 18 3.386 8.141 4.517 1.00 0.44 H new ATOM 0 HB3 LEU A 18 5.010 7.554 4.816 1.00 0.44 H new ATOM 0 HG LEU A 18 4.611 10.512 4.730 1.00 0.53 H new ATOM 0 HD11 LEU A 18 3.895 10.566 7.080 1.00 0.74 H new ATOM 0 HD12 LEU A 18 2.682 9.800 6.027 1.00 0.74 H new ATOM 0 HD13 LEU A 18 3.723 8.795 7.063 1.00 0.74 H new ATOM 0 HD21 LEU A 18 6.310 10.452 6.506 1.00 0.55 H new ATOM 0 HD22 LEU A 18 6.297 8.673 6.451 1.00 0.55 H new ATOM 0 HD23 LEU A 18 6.846 9.602 5.037 1.00 0.55 H new ATOM 281 N PHE A 19 3.528 6.777 1.949 1.00 0.45 N ATOM 282 CA PHE A 19 3.340 5.543 1.205 1.00 0.53 C ATOM 283 C PHE A 19 4.237 5.508 -0.034 1.00 0.42 C ATOM 284 O PHE A 19 4.817 4.471 -0.356 1.00 0.53 O ATOM 285 CB PHE A 19 1.877 5.506 0.762 1.00 0.72 C ATOM 286 CG PHE A 19 1.451 4.180 0.129 1.00 2.12 C ATOM 287 CD1 PHE A 19 1.759 3.005 0.741 1.00 2.76 C ATOM 288 CD2 PHE A 19 0.765 4.175 -1.045 1.00 3.62 C ATOM 289 CE1 PHE A 19 1.364 1.774 0.154 1.00 4.48 C ATOM 290 CE2 PHE A 19 0.370 2.944 -1.632 1.00 5.30 C ATOM 291 CZ PHE A 19 0.678 1.769 -1.020 1.00 5.60 C ATOM 0 H PHE A 19 2.667 7.207 2.287 1.00 0.45 H new ATOM 0 HA PHE A 19 3.597 4.688 1.831 1.00 0.53 H new ATOM 0 HB2 PHE A 19 1.242 5.705 1.625 1.00 0.72 H new ATOM 0 HB3 PHE A 19 1.704 6.310 0.047 1.00 0.72 H new ATOM 0 HD1 PHE A 19 2.304 3.008 1.673 1.00 2.76 H new ATOM 0 HD2 PHE A 19 0.520 5.108 -1.531 1.00 3.62 H new ATOM 0 HE1 PHE A 19 1.609 0.841 0.640 1.00 4.48 H new ATOM 0 HE2 PHE A 19 -0.175 2.941 -2.564 1.00 5.30 H new ATOM 0 HZ PHE A 19 0.378 0.832 -1.466 1.00 5.60 H new ATOM 301 N ASP A 20 4.324 6.652 -0.695 1.00 0.40 N ATOM 302 CA ASP A 20 5.141 6.765 -1.892 1.00 0.46 C ATOM 303 C ASP A 20 6.515 7.323 -1.515 1.00 0.53 C ATOM 304 O ASP A 20 6.660 8.522 -1.281 1.00 0.87 O ATOM 305 CB ASP A 20 4.505 7.720 -2.904 1.00 0.68 C ATOM 306 CG ASP A 20 4.897 7.471 -4.362 1.00 0.82 C ATOM 307 OD1 ASP A 20 5.819 6.653 -4.570 1.00 0.88 O ATOM 308 OD2 ASP A 20 4.265 8.104 -5.236 1.00 1.09 O ATOM 0 H ASP A 20 3.842 7.510 -0.425 1.00 0.40 H new ATOM 0 HA ASP A 20 5.228 5.773 -2.336 1.00 0.46 H new ATOM 0 HB2 ASP A 20 3.421 7.648 -2.817 1.00 0.68 H new ATOM 0 HB3 ASP A 20 4.779 8.741 -2.639 1.00 0.68 H new ATOM 313 N LYS A 21 7.489 6.426 -1.468 1.00 0.62 N ATOM 314 CA LYS A 21 8.847 6.813 -1.124 1.00 0.78 C ATOM 315 C LYS A 21 9.489 7.519 -2.320 1.00 0.68 C ATOM 316 O LYS A 21 10.152 8.543 -2.157 1.00 0.99 O ATOM 317 CB LYS A 21 9.639 5.603 -0.626 1.00 1.00 C ATOM 318 CG LYS A 21 8.819 4.784 0.374 1.00 0.75 C ATOM 319 CD LYS A 21 8.681 5.525 1.705 1.00 0.81 C ATOM 320 CE LYS A 21 7.661 4.834 2.613 1.00 1.09 C ATOM 321 NZ LYS A 21 7.554 5.545 3.907 1.00 1.63 N ATOM 0 H LYS A 21 7.365 5.432 -1.662 1.00 0.62 H new ATOM 0 HA LYS A 21 8.843 7.524 -0.298 1.00 0.78 H new ATOM 0 HB2 LYS A 21 9.920 4.975 -1.471 1.00 1.00 H new ATOM 0 HB3 LYS A 21 10.564 5.938 -0.156 1.00 1.00 H new ATOM 0 HG2 LYS A 21 7.830 4.583 -0.039 1.00 0.75 H new ATOM 0 HG3 LYS A 21 9.298 3.819 0.539 1.00 0.75 H new ATOM 0 HD2 LYS A 21 9.649 5.566 2.205 1.00 0.81 H new ATOM 0 HD3 LYS A 21 8.372 6.554 1.522 1.00 0.81 H new ATOM 0 HE2 LYS A 21 6.687 4.809 2.123 1.00 1.09 H new ATOM 0 HE3 LYS A 21 7.959 3.799 2.783 1.00 1.09 H new ATOM 0 HZ1 LYS A 21 7.592 4.856 4.686 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 8.343 6.217 4.000 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 6.653 6.062 3.945 1.00 1.63 H new ATOM 335 N ASP A 22 9.271 6.945 -3.493 1.00 0.53 N ATOM 336 CA ASP A 22 9.820 7.507 -4.715 1.00 0.47 C ATOM 337 C ASP A 22 9.030 8.761 -5.096 1.00 0.44 C ATOM 338 O ASP A 22 9.615 9.801 -5.393 1.00 0.60 O ATOM 339 CB ASP A 22 9.717 6.513 -5.874 1.00 0.66 C ATOM 340 CG ASP A 22 10.795 5.428 -5.893 1.00 1.68 C ATOM 341 OD1 ASP A 22 11.971 5.793 -5.680 1.00 2.52 O ATOM 342 OD2 ASP A 22 10.419 4.258 -6.121 1.00 2.06 O ATOM 0 H ASP A 22 8.721 6.096 -3.624 1.00 0.53 H new ATOM 0 HA ASP A 22 10.869 7.744 -4.535 1.00 0.47 H new ATOM 0 HB2 ASP A 22 8.740 6.032 -5.835 1.00 0.66 H new ATOM 0 HB3 ASP A 22 9.763 7.066 -6.812 1.00 0.66 H new ATOM 347 N GLY A 23 7.713 8.620 -5.074 1.00 0.49 N ATOM 348 CA GLY A 23 6.836 9.728 -5.413 1.00 0.63 C ATOM 349 C GLY A 23 6.578 9.782 -6.920 1.00 0.68 C ATOM 350 O GLY A 23 6.618 10.854 -7.522 1.00 0.78 O ATOM 0 H GLY A 23 7.232 7.755 -4.827 1.00 0.49 H new ATOM 0 HA2 GLY A 23 5.890 9.623 -4.882 1.00 0.63 H new ATOM 0 HA3 GLY A 23 7.284 10.665 -5.083 1.00 0.63 H new ATOM 354 N ASP A 24 6.319 8.613 -7.486 1.00 0.67 N ATOM 355 CA ASP A 24 6.054 8.513 -8.911 1.00 0.77 C ATOM 356 C ASP A 24 4.660 7.920 -9.126 1.00 1.05 C ATOM 357 O ASP A 24 4.413 7.254 -10.131 1.00 2.01 O ATOM 358 CB ASP A 24 7.069 7.596 -9.597 1.00 0.70 C ATOM 359 CG ASP A 24 7.498 6.378 -8.776 1.00 1.02 C ATOM 360 OD1 ASP A 24 6.863 6.150 -7.724 1.00 0.94 O ATOM 361 OD2 ASP A 24 8.451 5.702 -9.220 1.00 1.69 O ATOM 0 H ASP A 24 6.287 7.726 -6.983 1.00 0.67 H new ATOM 0 HA ASP A 24 6.125 9.513 -9.338 1.00 0.77 H new ATOM 0 HB2 ASP A 24 6.644 7.249 -10.539 1.00 0.70 H new ATOM 0 HB3 ASP A 24 7.956 8.180 -9.843 1.00 0.70 H new ATOM 366 N GLY A 25 3.786 8.183 -8.166 1.00 0.49 N ATOM 367 CA GLY A 25 2.423 7.684 -8.238 1.00 0.59 C ATOM 368 C GLY A 25 2.400 6.154 -8.258 1.00 0.65 C ATOM 369 O GLY A 25 1.380 5.550 -8.587 1.00 0.99 O ATOM 0 H GLY A 25 3.995 8.735 -7.334 1.00 0.49 H new ATOM 0 HA2 GLY A 25 1.853 8.049 -7.384 1.00 0.59 H new ATOM 0 HA3 GLY A 25 1.937 8.070 -9.134 1.00 0.59 H new ATOM 373 N THR A 26 3.535 5.573 -7.901 1.00 0.55 N ATOM 374 CA THR A 26 3.658 4.125 -7.873 1.00 0.69 C ATOM 375 C THR A 26 4.412 3.678 -6.618 1.00 0.65 C ATOM 376 O THR A 26 5.536 4.114 -6.376 1.00 0.70 O ATOM 377 CB THR A 26 4.329 3.682 -9.174 1.00 0.80 C ATOM 378 OG1 THR A 26 5.353 4.651 -9.385 1.00 1.26 O ATOM 379 CG2 THR A 26 3.412 3.840 -10.389 1.00 1.26 C ATOM 0 H THR A 26 4.378 6.078 -7.629 1.00 0.55 H new ATOM 0 HA THR A 26 2.680 3.646 -7.815 1.00 0.69 H new ATOM 0 HB THR A 26 4.639 2.641 -9.085 1.00 0.80 H new ATOM 0 HG1 THR A 26 5.725 4.927 -8.521 1.00 1.26 H new ATOM 0 HG21 THR A 26 3.937 3.512 -11.286 1.00 1.26 H new ATOM 0 HG22 THR A 26 2.517 3.234 -10.250 1.00 1.26 H new ATOM 0 HG23 THR A 26 3.129 4.887 -10.497 1.00 1.26 H new ATOM 387 N ILE A 27 3.762 2.813 -5.853 1.00 0.61 N ATOM 388 CA ILE A 27 4.356 2.302 -4.630 1.00 0.58 C ATOM 389 C ILE A 27 4.940 0.912 -4.893 1.00 0.49 C ATOM 390 O ILE A 27 4.231 -0.089 -4.807 1.00 0.52 O ATOM 391 CB ILE A 27 3.341 2.336 -3.486 1.00 0.58 C ATOM 392 CG1 ILE A 27 3.401 3.669 -2.738 1.00 0.81 C ATOM 393 CG2 ILE A 27 3.533 1.143 -2.547 1.00 0.55 C ATOM 394 CD1 ILE A 27 2.739 4.784 -3.551 1.00 0.98 C ATOM 0 H ILE A 27 2.830 2.453 -6.057 1.00 0.61 H new ATOM 0 HA ILE A 27 5.181 2.940 -4.312 1.00 0.58 H new ATOM 0 HB ILE A 27 2.342 2.252 -3.914 1.00 0.58 H new ATOM 0 HG12 ILE A 27 2.902 3.572 -1.774 1.00 0.81 H new ATOM 0 HG13 ILE A 27 4.440 3.930 -2.535 1.00 0.81 H new ATOM 0 HG21 ILE A 27 2.799 1.191 -1.743 1.00 0.55 H new ATOM 0 HG22 ILE A 27 3.400 0.216 -3.105 1.00 0.55 H new ATOM 0 HG23 ILE A 27 4.537 1.171 -2.124 1.00 0.55 H new ATOM 0 HD11 ILE A 27 2.795 5.721 -2.997 1.00 0.98 H new ATOM 0 HD12 ILE A 27 3.255 4.895 -4.504 1.00 0.98 H new ATOM 0 HD13 ILE A 27 1.694 4.531 -3.732 1.00 0.98 H new ATOM 406 N THR A 28 6.226 0.896 -5.210 1.00 0.50 N ATOM 407 CA THR A 28 6.913 -0.354 -5.486 1.00 0.49 C ATOM 408 C THR A 28 6.802 -1.300 -4.289 1.00 0.40 C ATOM 409 O THR A 28 6.682 -0.853 -3.149 1.00 0.39 O ATOM 410 CB THR A 28 8.358 -0.025 -5.868 1.00 0.63 C ATOM 411 OG1 THR A 28 8.261 0.468 -7.202 1.00 0.83 O ATOM 412 CG2 THR A 28 9.229 -1.276 -5.996 1.00 0.72 C ATOM 0 H THR A 28 6.810 1.729 -5.282 1.00 0.50 H new ATOM 0 HA THR A 28 6.452 -0.882 -6.321 1.00 0.49 H new ATOM 0 HB THR A 28 8.788 0.642 -5.121 1.00 0.63 H new ATOM 0 HG1 THR A 28 9.154 0.707 -7.528 1.00 0.83 H new ATOM 0 HG21 THR A 28 10.244 -0.986 -6.268 1.00 0.72 H new ATOM 0 HG22 THR A 28 9.246 -1.806 -5.044 1.00 0.72 H new ATOM 0 HG23 THR A 28 8.818 -1.928 -6.767 1.00 0.72 H new ATOM 420 N THR A 29 6.845 -2.590 -4.589 1.00 0.41 N ATOM 421 CA THR A 29 6.751 -3.603 -3.551 1.00 0.42 C ATOM 422 C THR A 29 7.617 -3.219 -2.350 1.00 0.45 C ATOM 423 O THR A 29 7.140 -3.198 -1.217 1.00 0.48 O ATOM 424 CB THR A 29 7.131 -4.949 -4.169 1.00 0.50 C ATOM 425 OG1 THR A 29 8.490 -4.779 -4.562 1.00 0.58 O ATOM 426 CG2 THR A 29 6.395 -5.220 -5.483 1.00 0.51 C ATOM 0 H THR A 29 6.944 -2.957 -5.536 1.00 0.41 H new ATOM 0 HA THR A 29 5.734 -3.681 -3.166 1.00 0.42 H new ATOM 0 HB THR A 29 6.913 -5.748 -3.460 1.00 0.50 H new ATOM 0 HG1 THR A 29 8.818 -5.607 -4.972 1.00 0.58 H new ATOM 0 HG21 THR A 29 6.702 -6.188 -5.879 1.00 0.51 H new ATOM 0 HG22 THR A 29 5.320 -5.225 -5.303 1.00 0.51 H new ATOM 0 HG23 THR A 29 6.638 -4.440 -6.204 1.00 0.51 H new ATOM 434 N LYS A 30 8.876 -2.923 -2.640 1.00 0.63 N ATOM 435 CA LYS A 30 9.813 -2.541 -1.597 1.00 0.73 C ATOM 436 C LYS A 30 9.304 -1.279 -0.897 1.00 0.61 C ATOM 437 O LYS A 30 9.421 -1.151 0.320 1.00 0.61 O ATOM 438 CB LYS A 30 11.224 -2.399 -2.172 1.00 0.96 C ATOM 439 CG LYS A 30 11.381 -1.072 -2.918 1.00 0.95 C ATOM 440 CD LYS A 30 12.573 -1.120 -3.876 1.00 1.06 C ATOM 441 CE LYS A 30 12.798 0.240 -4.540 1.00 1.91 C ATOM 442 NZ LYS A 30 13.822 1.014 -3.803 1.00 2.47 N ATOM 0 H LYS A 30 9.269 -2.940 -3.581 1.00 0.63 H new ATOM 0 HA LYS A 30 9.879 -3.321 -0.839 1.00 0.73 H new ATOM 0 HB2 LYS A 30 11.956 -2.456 -1.367 1.00 0.96 H new ATOM 0 HB3 LYS A 30 11.430 -3.228 -2.849 1.00 0.96 H new ATOM 0 HG2 LYS A 30 10.470 -0.854 -3.476 1.00 0.95 H new ATOM 0 HG3 LYS A 30 11.518 -0.262 -2.202 1.00 0.95 H new ATOM 0 HD2 LYS A 30 13.470 -1.416 -3.332 1.00 1.06 H new ATOM 0 HD3 LYS A 30 12.400 -1.878 -4.640 1.00 1.06 H new ATOM 0 HE2 LYS A 30 13.115 0.099 -5.573 1.00 1.91 H new ATOM 0 HE3 LYS A 30 11.862 0.798 -4.567 1.00 1.91 H new ATOM 0 HZ1 LYS A 30 13.962 1.934 -4.267 1.00 2.47 H new ATOM 0 HZ2 LYS A 30 13.505 1.165 -2.824 1.00 2.47 H new ATOM 0 HZ3 LYS A 30 14.719 0.488 -3.799 1.00 2.47 H new ATOM 456 N GLU A 31 8.751 -0.380 -1.697 1.00 0.59 N ATOM 457 CA GLU A 31 8.223 0.867 -1.170 1.00 0.58 C ATOM 458 C GLU A 31 7.183 0.586 -0.083 1.00 0.42 C ATOM 459 O GLU A 31 7.039 1.363 0.859 1.00 0.46 O ATOM 460 CB GLU A 31 7.631 1.728 -2.287 1.00 0.73 C ATOM 461 CG GLU A 31 8.494 2.966 -2.542 1.00 0.75 C ATOM 462 CD GLU A 31 7.982 3.752 -3.750 1.00 0.69 C ATOM 463 OE1 GLU A 31 7.131 4.641 -3.529 1.00 1.64 O ATOM 464 OE2 GLU A 31 8.452 3.447 -4.867 1.00 1.67 O ATOM 0 H GLU A 31 8.657 -0.490 -2.707 1.00 0.59 H new ATOM 0 HA GLU A 31 9.045 1.426 -0.723 1.00 0.58 H new ATOM 0 HB2 GLU A 31 7.553 1.140 -3.202 1.00 0.73 H new ATOM 0 HB3 GLU A 31 6.620 2.034 -2.018 1.00 0.73 H new ATOM 0 HG2 GLU A 31 8.489 3.605 -1.659 1.00 0.75 H new ATOM 0 HG3 GLU A 31 9.528 2.664 -2.711 1.00 0.75 H new ATOM 471 N LEU A 32 6.485 -0.527 -0.251 1.00 0.34 N ATOM 472 CA LEU A 32 5.462 -0.920 0.703 1.00 0.28 C ATOM 473 C LEU A 32 6.122 -1.254 2.042 1.00 0.31 C ATOM 474 O LEU A 32 5.719 -0.736 3.083 1.00 0.45 O ATOM 475 CB LEU A 32 4.610 -2.058 0.137 1.00 0.34 C ATOM 476 CG LEU A 32 3.495 -2.577 1.046 1.00 0.51 C ATOM 477 CD1 LEU A 32 2.605 -3.578 0.306 1.00 1.50 C ATOM 478 CD2 LEU A 32 4.069 -3.166 2.337 1.00 1.61 C ATOM 0 H LEU A 32 6.608 -1.169 -1.034 1.00 0.34 H new ATOM 0 HA LEU A 32 4.772 -0.096 0.883 1.00 0.28 H new ATOM 0 HB2 LEU A 32 4.162 -1.720 -0.797 1.00 0.34 H new ATOM 0 HB3 LEU A 32 5.269 -2.891 -0.109 1.00 0.34 H new ATOM 0 HG LEU A 32 2.865 -1.734 1.329 1.00 0.51 H new ATOM 0 HD11 LEU A 32 1.820 -3.931 0.975 1.00 1.50 H new ATOM 0 HD12 LEU A 32 2.153 -3.093 -0.559 1.00 1.50 H new ATOM 0 HD13 LEU A 32 3.207 -4.424 -0.026 1.00 1.50 H new ATOM 0 HD21 LEU A 32 3.255 -3.528 2.965 1.00 1.61 H new ATOM 0 HD22 LEU A 32 4.735 -3.994 2.094 1.00 1.61 H new ATOM 0 HD23 LEU A 32 4.626 -2.397 2.872 1.00 1.61 H new ATOM 490 N GLY A 33 7.124 -2.118 1.973 1.00 0.35 N ATOM 491 CA GLY A 33 7.843 -2.527 3.167 1.00 0.45 C ATOM 492 C GLY A 33 8.464 -1.320 3.874 1.00 0.48 C ATOM 493 O GLY A 33 8.680 -1.348 5.084 1.00 0.62 O ATOM 0 H GLY A 33 7.455 -2.546 1.108 1.00 0.35 H new ATOM 0 HA2 GLY A 33 7.163 -3.041 3.847 1.00 0.45 H new ATOM 0 HA3 GLY A 33 8.625 -3.238 2.899 1.00 0.45 H new ATOM 497 N THR A 34 8.735 -0.289 3.087 1.00 0.40 N ATOM 498 CA THR A 34 9.327 0.926 3.622 1.00 0.46 C ATOM 499 C THR A 34 8.379 1.583 4.628 1.00 0.51 C ATOM 500 O THR A 34 8.804 2.006 5.701 1.00 0.73 O ATOM 501 CB THR A 34 9.688 1.834 2.445 1.00 0.45 C ATOM 502 OG1 THR A 34 10.590 1.052 1.667 1.00 0.54 O ATOM 503 CG2 THR A 34 10.518 3.045 2.873 1.00 0.45 C ATOM 0 H THR A 34 8.556 -0.270 2.083 1.00 0.40 H new ATOM 0 HA THR A 34 10.240 0.710 4.177 1.00 0.46 H new ATOM 0 HB THR A 34 8.775 2.174 1.956 1.00 0.45 H new ATOM 0 HG1 THR A 34 10.083 0.418 1.118 1.00 0.54 H new ATOM 0 HG21 THR A 34 10.747 3.656 2.000 1.00 0.45 H new ATOM 0 HG22 THR A 34 9.953 3.637 3.593 1.00 0.45 H new ATOM 0 HG23 THR A 34 11.447 2.706 3.332 1.00 0.45 H new ATOM 511 N VAL A 35 7.113 1.647 4.244 1.00 0.44 N ATOM 512 CA VAL A 35 6.101 2.246 5.099 1.00 0.52 C ATOM 513 C VAL A 35 5.880 1.353 6.321 1.00 0.55 C ATOM 514 O VAL A 35 5.908 1.828 7.455 1.00 0.65 O ATOM 515 CB VAL A 35 4.820 2.493 4.299 1.00 0.56 C ATOM 516 CG1 VAL A 35 3.792 3.259 5.135 1.00 1.40 C ATOM 517 CG2 VAL A 35 5.123 3.230 2.993 1.00 1.47 C ATOM 0 H VAL A 35 6.764 1.294 3.353 1.00 0.44 H new ATOM 0 HA VAL A 35 6.434 3.218 5.462 1.00 0.52 H new ATOM 0 HB VAL A 35 4.391 1.524 4.045 1.00 0.56 H new ATOM 0 HG11 VAL A 35 2.891 3.422 4.544 1.00 1.40 H new ATOM 0 HG12 VAL A 35 3.543 2.681 6.025 1.00 1.40 H new ATOM 0 HG13 VAL A 35 4.209 4.221 5.433 1.00 1.40 H new ATOM 0 HG21 VAL A 35 4.196 3.393 2.444 1.00 1.47 H new ATOM 0 HG22 VAL A 35 5.586 4.191 3.217 1.00 1.47 H new ATOM 0 HG23 VAL A 35 5.803 2.632 2.387 1.00 1.47 H new ATOM 527 N MET A 36 5.665 0.074 6.049 1.00 0.51 N ATOM 528 CA MET A 36 5.438 -0.890 7.113 1.00 0.56 C ATOM 529 C MET A 36 6.511 -0.771 8.198 1.00 0.54 C ATOM 530 O MET A 36 6.199 -0.496 9.356 1.00 0.59 O ATOM 531 CB MET A 36 5.455 -2.305 6.532 1.00 0.71 C ATOM 532 CG MET A 36 4.356 -2.479 5.481 1.00 0.75 C ATOM 533 SD MET A 36 2.805 -2.859 6.278 1.00 0.91 S ATOM 534 CE MET A 36 1.711 -1.799 5.348 1.00 2.17 C ATOM 0 H MET A 36 5.643 -0.317 5.107 1.00 0.51 H new ATOM 0 HA MET A 36 4.467 -0.684 7.564 1.00 0.56 H new ATOM 0 HB2 MET A 36 6.428 -2.506 6.083 1.00 0.71 H new ATOM 0 HB3 MET A 36 5.317 -3.032 7.332 1.00 0.71 H new ATOM 0 HG2 MET A 36 4.258 -1.568 4.891 1.00 0.75 H new ATOM 0 HG3 MET A 36 4.625 -3.278 4.790 1.00 0.75 H new ATOM 0 HE1 MET A 36 0.692 -1.913 5.719 1.00 2.17 H new ATOM 0 HE2 MET A 36 2.025 -0.762 5.462 1.00 2.17 H new ATOM 0 HE3 MET A 36 1.746 -2.075 4.294 1.00 2.17 H new ATOM 544 N ARG A 37 7.751 -0.983 7.784 1.00 0.63 N ATOM 545 CA ARG A 37 8.871 -0.903 8.706 1.00 0.74 C ATOM 546 C ARG A 37 8.990 0.513 9.275 1.00 0.71 C ATOM 547 O ARG A 37 9.356 0.690 10.436 1.00 0.84 O ATOM 548 CB ARG A 37 10.183 -1.279 8.014 1.00 1.13 C ATOM 549 CG ARG A 37 10.485 -0.324 6.857 1.00 1.46 C ATOM 550 CD ARG A 37 11.439 0.788 7.299 1.00 2.20 C ATOM 551 NE ARG A 37 12.164 1.329 6.128 1.00 2.72 N ATOM 552 CZ ARG A 37 13.278 0.787 5.618 1.00 2.84 C ATOM 553 NH1 ARG A 37 13.803 -0.314 6.175 1.00 3.39 N ATOM 554 NH2 ARG A 37 13.869 1.345 4.553 1.00 3.48 N ATOM 0 H ARG A 37 8.005 -1.210 6.823 1.00 0.63 H new ATOM 0 HA ARG A 37 8.685 -1.609 9.515 1.00 0.74 H new ATOM 0 HB2 ARG A 37 11.000 -1.252 8.735 1.00 1.13 H new ATOM 0 HB3 ARG A 37 10.121 -2.301 7.640 1.00 1.13 H new ATOM 0 HG2 ARG A 37 10.926 -0.878 6.029 1.00 1.46 H new ATOM 0 HG3 ARG A 37 9.557 0.113 6.490 1.00 1.46 H new ATOM 0 HD2 ARG A 37 10.880 1.584 7.790 1.00 2.20 H new ATOM 0 HD3 ARG A 37 12.149 0.400 8.029 1.00 2.20 H new ATOM 0 HE ARG A 37 11.792 2.167 5.681 1.00 2.72 H new ATOM 0 HH11 ARG A 37 13.354 -0.739 6.987 1.00 3.39 H new ATOM 0 HH12 ARG A 37 14.651 -0.727 5.787 1.00 3.39 H new ATOM 0 HH21 ARG A 37 13.471 2.183 4.130 1.00 3.48 H new ATOM 0 HH22 ARG A 37 14.717 0.932 4.165 1.00 3.48 H new ATOM 568 N SER A 38 8.675 1.484 8.431 1.00 0.81 N ATOM 569 CA SER A 38 8.742 2.878 8.835 1.00 1.10 C ATOM 570 C SER A 38 7.921 3.094 10.108 1.00 1.12 C ATOM 571 O SER A 38 8.142 4.059 10.837 1.00 1.47 O ATOM 572 CB SER A 38 8.244 3.799 7.720 1.00 1.29 C ATOM 573 OG SER A 38 9.317 4.332 6.949 1.00 2.57 O ATOM 0 H SER A 38 8.373 1.333 7.469 1.00 0.81 H new ATOM 0 HA SER A 38 9.784 3.126 9.036 1.00 1.10 H new ATOM 0 HB2 SER A 38 7.569 3.246 7.067 1.00 1.29 H new ATOM 0 HB3 SER A 38 7.669 4.617 8.155 1.00 1.29 H new ATOM 0 HG SER A 38 9.549 3.704 6.233 1.00 2.57 H new ATOM 579 N LEU A 39 6.991 2.178 10.336 1.00 0.89 N ATOM 580 CA LEU A 39 6.136 2.256 11.509 1.00 1.16 C ATOM 581 C LEU A 39 6.878 1.679 12.715 1.00 1.33 C ATOM 582 O LEU A 39 7.272 2.417 13.618 1.00 2.45 O ATOM 583 CB LEU A 39 4.789 1.583 11.235 1.00 1.11 C ATOM 584 CG LEU A 39 3.824 2.355 10.333 1.00 1.07 C ATOM 585 CD1 LEU A 39 2.628 1.487 9.940 1.00 1.20 C ATOM 586 CD2 LEU A 39 3.390 3.667 10.989 1.00 1.40 C ATOM 0 H LEU A 39 6.811 1.378 9.729 1.00 0.89 H new ATOM 0 HA LEU A 39 5.905 3.295 11.744 1.00 1.16 H new ATOM 0 HB2 LEU A 39 4.977 0.609 10.783 1.00 1.11 H new ATOM 0 HB3 LEU A 39 4.296 1.401 12.190 1.00 1.11 H new ATOM 0 HG LEU A 39 4.349 2.614 9.414 1.00 1.07 H new ATOM 0 HD11 LEU A 39 1.958 2.060 9.299 1.00 1.20 H new ATOM 0 HD12 LEU A 39 2.979 0.606 9.403 1.00 1.20 H new ATOM 0 HD13 LEU A 39 2.094 1.176 10.838 1.00 1.20 H new ATOM 0 HD21 LEU A 39 2.705 4.196 10.327 1.00 1.40 H new ATOM 0 HD22 LEU A 39 2.890 3.453 11.934 1.00 1.40 H new ATOM 0 HD23 LEU A 39 4.266 4.288 11.175 1.00 1.40 H new ATOM 598 N GLY A 40 7.047 0.365 12.693 1.00 0.81 N ATOM 599 CA GLY A 40 7.735 -0.320 13.774 1.00 0.88 C ATOM 600 C GLY A 40 7.961 -1.794 13.433 1.00 0.91 C ATOM 601 O GLY A 40 7.912 -2.653 14.313 1.00 1.74 O ATOM 0 H GLY A 40 6.719 -0.244 11.943 1.00 0.81 H new ATOM 0 HA2 GLY A 40 8.693 0.164 13.964 1.00 0.88 H new ATOM 0 HA3 GLY A 40 7.150 -0.241 14.690 1.00 0.88 H new ATOM 605 N GLN A 41 8.203 -2.043 12.154 1.00 0.88 N ATOM 606 CA GLN A 41 8.436 -3.398 11.687 1.00 0.91 C ATOM 607 C GLN A 41 9.650 -3.438 10.757 1.00 1.08 C ATOM 608 O GLN A 41 10.349 -2.438 10.601 1.00 2.03 O ATOM 609 CB GLN A 41 7.194 -3.960 10.990 1.00 0.78 C ATOM 610 CG GLN A 41 5.975 -3.900 11.913 1.00 1.36 C ATOM 611 CD GLN A 41 5.271 -5.257 11.979 1.00 1.91 C ATOM 612 OE1 GLN A 41 5.692 -6.171 12.668 1.00 2.96 O ATOM 613 NE2 GLN A 41 4.177 -5.337 11.226 1.00 2.52 N ATOM 0 H GLN A 41 8.243 -1.329 11.427 1.00 0.88 H new ATOM 0 HA GLN A 41 8.644 -4.028 12.552 1.00 0.91 H new ATOM 0 HB2 GLN A 41 6.995 -3.393 10.081 1.00 0.78 H new ATOM 0 HB3 GLN A 41 7.377 -4.992 10.689 1.00 0.78 H new ATOM 0 HG2 GLN A 41 6.286 -3.598 12.913 1.00 1.36 H new ATOM 0 HG3 GLN A 41 5.279 -3.142 11.554 1.00 1.36 H new ATOM 0 HE21 GLN A 41 3.879 -4.534 10.672 1.00 2.52 H new ATOM 0 HE22 GLN A 41 3.636 -6.202 11.202 1.00 2.52 H new ATOM 622 N ASN A 42 9.864 -4.603 10.164 1.00 0.66 N ATOM 623 CA ASN A 42 10.982 -4.786 9.254 1.00 0.66 C ATOM 624 C ASN A 42 10.791 -6.087 8.472 1.00 0.59 C ATOM 625 O ASN A 42 11.607 -7.001 8.572 1.00 0.66 O ATOM 626 CB ASN A 42 12.304 -4.884 10.018 1.00 0.82 C ATOM 627 CG ASN A 42 13.428 -4.171 9.264 1.00 1.38 C ATOM 628 OD1 ASN A 42 14.421 -4.762 8.874 1.00 1.88 O ATOM 629 ND2 ASN A 42 13.216 -2.871 9.080 1.00 1.69 N ATOM 0 H ASN A 42 9.282 -5.430 10.296 1.00 0.66 H new ATOM 0 HA ASN A 42 11.015 -3.927 8.584 1.00 0.66 H new ATOM 0 HB2 ASN A 42 12.189 -4.443 11.008 1.00 0.82 H new ATOM 0 HB3 ASN A 42 12.567 -5.932 10.164 1.00 0.82 H new ATOM 0 HD21 ASN A 42 13.907 -2.306 8.586 1.00 1.69 H new ATOM 0 HD22 ASN A 42 12.362 -2.439 9.433 1.00 1.69 H new ATOM 636 N PRO A 43 9.678 -6.130 7.691 1.00 0.51 N ATOM 637 CA PRO A 43 9.369 -7.304 6.893 1.00 0.50 C ATOM 638 C PRO A 43 10.276 -7.386 5.664 1.00 0.48 C ATOM 639 O PRO A 43 11.087 -6.491 5.426 1.00 0.51 O ATOM 640 CB PRO A 43 7.898 -7.161 6.537 1.00 0.51 C ATOM 641 CG PRO A 43 7.558 -5.695 6.751 1.00 0.48 C ATOM 642 CD PRO A 43 8.689 -5.066 7.548 1.00 0.49 C ATOM 0 HA PRO A 43 9.547 -8.236 7.429 1.00 0.50 H new ATOM 0 HB2 PRO A 43 7.716 -7.457 5.504 1.00 0.51 H new ATOM 0 HB3 PRO A 43 7.280 -7.801 7.166 1.00 0.51 H new ATOM 0 HG2 PRO A 43 7.437 -5.187 5.794 1.00 0.48 H new ATOM 0 HG3 PRO A 43 6.613 -5.596 7.286 1.00 0.48 H new ATOM 0 HD2 PRO A 43 9.107 -4.204 7.029 1.00 0.49 H new ATOM 0 HD3 PRO A 43 8.341 -4.715 8.520 1.00 0.49 H new ATOM 650 N THR A 44 10.110 -8.467 4.917 1.00 0.48 N ATOM 651 CA THR A 44 10.905 -8.677 3.718 1.00 0.48 C ATOM 652 C THR A 44 10.104 -8.292 2.473 1.00 0.45 C ATOM 653 O THR A 44 8.877 -8.386 2.466 1.00 0.51 O ATOM 654 CB THR A 44 11.375 -10.133 3.712 1.00 0.51 C ATOM 655 OG1 THR A 44 10.255 -10.862 4.208 1.00 0.53 O ATOM 656 CG2 THR A 44 12.477 -10.397 4.741 1.00 0.56 C ATOM 0 H THR A 44 9.437 -9.207 5.118 1.00 0.48 H new ATOM 0 HA THR A 44 11.786 -8.036 3.710 1.00 0.48 H new ATOM 0 HB THR A 44 11.737 -10.393 2.717 1.00 0.51 H new ATOM 0 HG1 THR A 44 10.473 -11.817 4.236 1.00 0.53 H new ATOM 0 HG21 THR A 44 12.774 -11.445 4.695 1.00 0.56 H new ATOM 0 HG22 THR A 44 13.338 -9.766 4.522 1.00 0.56 H new ATOM 0 HG23 THR A 44 12.105 -10.169 5.740 1.00 0.56 H new ATOM 664 N GLU A 45 10.830 -7.867 1.449 1.00 0.45 N ATOM 665 CA GLU A 45 10.202 -7.468 0.201 1.00 0.43 C ATOM 666 C GLU A 45 9.603 -8.685 -0.505 1.00 0.39 C ATOM 667 O GLU A 45 8.711 -8.546 -1.341 1.00 0.37 O ATOM 668 CB GLU A 45 11.198 -6.743 -0.706 1.00 0.46 C ATOM 669 CG GLU A 45 12.356 -7.665 -1.096 1.00 0.49 C ATOM 670 CD GLU A 45 12.976 -7.233 -2.426 1.00 1.60 C ATOM 671 OE1 GLU A 45 13.618 -6.161 -2.432 1.00 2.49 O ATOM 672 OE2 GLU A 45 12.794 -7.986 -3.408 1.00 2.91 O ATOM 0 H GLU A 45 11.847 -7.790 1.458 1.00 0.45 H new ATOM 0 HA GLU A 45 9.395 -6.772 0.429 1.00 0.43 H new ATOM 0 HB2 GLU A 45 10.689 -6.392 -1.604 1.00 0.46 H new ATOM 0 HB3 GLU A 45 11.586 -5.862 -0.195 1.00 0.46 H new ATOM 0 HG2 GLU A 45 13.116 -7.651 -0.315 1.00 0.49 H new ATOM 0 HG3 GLU A 45 11.998 -8.692 -1.174 1.00 0.49 H new ATOM 679 N ALA A 46 10.117 -9.852 -0.143 1.00 0.40 N ATOM 680 CA ALA A 46 9.643 -11.093 -0.732 1.00 0.40 C ATOM 681 C ALA A 46 8.220 -11.373 -0.245 1.00 0.38 C ATOM 682 O ALA A 46 7.291 -11.460 -1.047 1.00 0.40 O ATOM 683 CB ALA A 46 10.612 -12.225 -0.384 1.00 0.47 C ATOM 0 H ALA A 46 10.857 -9.964 0.550 1.00 0.40 H new ATOM 0 HA ALA A 46 9.610 -11.014 -1.819 1.00 0.40 H new ATOM 0 HB1 ALA A 46 10.257 -13.156 -0.825 1.00 0.47 H new ATOM 0 HB2 ALA A 46 11.601 -11.991 -0.777 1.00 0.47 H new ATOM 0 HB3 ALA A 46 10.669 -12.335 0.699 1.00 0.47 H new ATOM 689 N GLU A 47 8.094 -11.507 1.067 1.00 0.41 N ATOM 690 CA GLU A 47 6.799 -11.776 1.671 1.00 0.42 C ATOM 691 C GLU A 47 5.767 -10.754 1.190 1.00 0.39 C ATOM 692 O GLU A 47 4.623 -11.108 0.909 1.00 0.40 O ATOM 693 CB GLU A 47 6.896 -11.779 3.198 1.00 0.49 C ATOM 694 CG GLU A 47 7.465 -13.105 3.708 1.00 0.57 C ATOM 695 CD GLU A 47 6.352 -14.007 4.247 1.00 0.76 C ATOM 696 OE1 GLU A 47 5.525 -14.445 3.419 1.00 1.39 O ATOM 697 OE2 GLU A 47 6.354 -14.238 5.475 1.00 1.63 O ATOM 0 H GLU A 47 8.867 -11.434 1.729 1.00 0.41 H new ATOM 0 HA GLU A 47 6.473 -12.768 1.358 1.00 0.42 H new ATOM 0 HB2 GLU A 47 7.530 -10.956 3.527 1.00 0.49 H new ATOM 0 HB3 GLU A 47 5.909 -11.613 3.629 1.00 0.49 H new ATOM 0 HG2 GLU A 47 7.992 -13.614 2.900 1.00 0.57 H new ATOM 0 HG3 GLU A 47 8.196 -12.913 4.494 1.00 0.57 H new ATOM 704 N LEU A 48 6.208 -9.507 1.109 1.00 0.38 N ATOM 705 CA LEU A 48 5.337 -8.432 0.667 1.00 0.37 C ATOM 706 C LEU A 48 5.055 -8.593 -0.829 1.00 0.32 C ATOM 707 O LEU A 48 3.994 -8.199 -1.310 1.00 0.33 O ATOM 708 CB LEU A 48 5.932 -7.073 1.038 1.00 0.40 C ATOM 709 CG LEU A 48 5.673 -6.595 2.468 1.00 0.44 C ATOM 710 CD1 LEU A 48 4.173 -6.537 2.764 1.00 0.49 C ATOM 711 CD2 LEU A 48 6.423 -7.463 3.481 1.00 0.52 C ATOM 0 H LEU A 48 7.158 -9.217 1.342 1.00 0.38 H new ATOM 0 HA LEU A 48 4.377 -8.484 1.181 1.00 0.37 H new ATOM 0 HB2 LEU A 48 7.010 -7.115 0.880 1.00 0.40 H new ATOM 0 HB3 LEU A 48 5.538 -6.326 0.349 1.00 0.40 H new ATOM 0 HG LEU A 48 6.060 -5.580 2.564 1.00 0.44 H new ATOM 0 HD11 LEU A 48 4.017 -6.194 3.787 1.00 0.49 H new ATOM 0 HD12 LEU A 48 3.692 -5.845 2.072 1.00 0.49 H new ATOM 0 HD13 LEU A 48 3.740 -7.530 2.644 1.00 0.49 H new ATOM 0 HD21 LEU A 48 6.222 -7.102 4.489 1.00 0.52 H new ATOM 0 HD22 LEU A 48 6.089 -8.497 3.392 1.00 0.52 H new ATOM 0 HD23 LEU A 48 7.494 -7.410 3.284 1.00 0.52 H new ATOM 723 N GLN A 49 6.024 -9.171 -1.522 1.00 0.32 N ATOM 724 CA GLN A 49 5.894 -9.389 -2.953 1.00 0.30 C ATOM 725 C GLN A 49 4.610 -10.163 -3.257 1.00 0.28 C ATOM 726 O GLN A 49 3.939 -9.893 -4.253 1.00 0.27 O ATOM 727 CB GLN A 49 7.118 -10.117 -3.511 1.00 0.40 C ATOM 728 CG GLN A 49 7.221 -9.936 -5.026 1.00 0.48 C ATOM 729 CD GLN A 49 8.586 -10.395 -5.543 1.00 0.79 C ATOM 730 OE1 GLN A 49 9.422 -9.605 -5.951 1.00 2.25 O ATOM 731 NE2 GLN A 49 8.765 -11.712 -5.502 1.00 1.60 N ATOM 0 H GLN A 49 6.903 -9.495 -1.119 1.00 0.32 H new ATOM 0 HA GLN A 49 5.835 -8.418 -3.445 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.021 -9.736 -3.034 1.00 0.40 H new ATOM 0 HB3 GLN A 49 7.054 -11.178 -3.272 1.00 0.40 H new ATOM 0 HG2 GLN A 49 6.432 -10.505 -5.518 1.00 0.48 H new ATOM 0 HG3 GLN A 49 7.065 -8.888 -5.282 1.00 0.48 H new ATOM 0 HE21 GLN A 49 8.024 -12.317 -5.148 1.00 1.60 H new ATOM 0 HE22 GLN A 49 9.644 -12.118 -5.824 1.00 1.60 H new ATOM 740 N ASP A 50 4.306 -11.110 -2.382 1.00 0.35 N ATOM 741 CA ASP A 50 3.114 -11.925 -2.545 1.00 0.40 C ATOM 742 C ASP A 50 1.876 -11.075 -2.250 1.00 0.45 C ATOM 743 O ASP A 50 0.824 -11.273 -2.856 1.00 0.49 O ATOM 744 CB ASP A 50 3.118 -13.106 -1.573 1.00 0.53 C ATOM 745 CG ASP A 50 2.164 -14.246 -1.937 1.00 0.83 C ATOM 746 OD1 ASP A 50 1.745 -14.281 -3.114 1.00 1.81 O ATOM 747 OD2 ASP A 50 1.875 -15.055 -1.029 1.00 1.88 O ATOM 0 H ASP A 50 4.865 -11.331 -1.558 1.00 0.35 H new ATOM 0 HA ASP A 50 3.099 -12.300 -3.569 1.00 0.40 H new ATOM 0 HB2 ASP A 50 4.131 -13.505 -1.513 1.00 0.53 H new ATOM 0 HB3 ASP A 50 2.860 -12.740 -0.579 1.00 0.53 H new ATOM 752 N MET A 51 2.043 -10.146 -1.320 1.00 0.47 N ATOM 753 CA MET A 51 0.952 -9.265 -0.939 1.00 0.57 C ATOM 754 C MET A 51 0.635 -8.269 -2.056 1.00 0.57 C ATOM 755 O MET A 51 -0.505 -8.179 -2.508 1.00 0.67 O ATOM 756 CB MET A 51 1.332 -8.504 0.333 1.00 0.61 C ATOM 757 CG MET A 51 0.919 -9.283 1.583 1.00 0.69 C ATOM 758 SD MET A 51 1.144 -8.271 3.036 1.00 2.22 S ATOM 759 CE MET A 51 2.165 -9.358 4.016 1.00 3.48 C ATOM 0 H MET A 51 2.917 -9.984 -0.819 1.00 0.47 H new ATOM 0 HA MET A 51 0.065 -9.872 -0.759 1.00 0.57 H new ATOM 0 HB2 MET A 51 2.408 -8.329 0.348 1.00 0.61 H new ATOM 0 HB3 MET A 51 0.850 -7.526 0.334 1.00 0.61 H new ATOM 0 HG2 MET A 51 -0.124 -9.590 1.502 1.00 0.69 H new ATOM 0 HG3 MET A 51 1.514 -10.192 1.668 1.00 0.69 H new ATOM 0 HE1 MET A 51 2.445 -8.857 4.943 1.00 3.48 H new ATOM 0 HE2 MET A 51 1.610 -10.267 4.248 1.00 3.48 H new ATOM 0 HE3 MET A 51 3.064 -9.615 3.456 1.00 3.48 H new ATOM 769 N ILE A 52 1.665 -7.545 -2.469 1.00 0.48 N ATOM 770 CA ILE A 52 1.511 -6.558 -3.524 1.00 0.52 C ATOM 771 C ILE A 52 0.840 -7.212 -4.733 1.00 0.54 C ATOM 772 O ILE A 52 0.071 -6.567 -5.445 1.00 0.49 O ATOM 773 CB ILE A 52 2.856 -5.904 -3.846 1.00 0.47 C ATOM 774 CG1 ILE A 52 3.889 -6.952 -4.267 1.00 0.35 C ATOM 775 CG2 ILE A 52 3.347 -5.053 -2.673 1.00 0.51 C ATOM 776 CD1 ILE A 52 3.665 -7.392 -5.715 1.00 0.55 C ATOM 0 H ILE A 52 2.610 -7.622 -2.092 1.00 0.48 H new ATOM 0 HA ILE A 52 0.859 -5.748 -3.196 1.00 0.52 H new ATOM 0 HB ILE A 52 2.715 -5.233 -4.693 1.00 0.47 H new ATOM 0 HG12 ILE A 52 4.893 -6.542 -4.159 1.00 0.35 H new ATOM 0 HG13 ILE A 52 3.825 -7.817 -3.606 1.00 0.35 H new ATOM 0 HG21 ILE A 52 4.305 -4.600 -2.928 1.00 0.51 H new ATOM 0 HG22 ILE A 52 2.619 -4.269 -2.462 1.00 0.51 H new ATOM 0 HG23 ILE A 52 3.467 -5.683 -1.792 1.00 0.51 H new ATOM 0 HD11 ILE A 52 4.412 -8.137 -5.989 1.00 0.55 H new ATOM 0 HD12 ILE A 52 2.669 -7.824 -5.814 1.00 0.55 H new ATOM 0 HD13 ILE A 52 3.754 -6.529 -6.375 1.00 0.55 H new ATOM 788 N ASN A 53 1.154 -8.484 -4.929 1.00 0.65 N ATOM 789 CA ASN A 53 0.591 -9.232 -6.039 1.00 0.69 C ATOM 790 C ASN A 53 -0.931 -9.287 -5.893 1.00 0.64 C ATOM 791 O ASN A 53 -1.655 -9.286 -6.887 1.00 0.61 O ATOM 792 CB ASN A 53 1.116 -10.669 -6.058 1.00 0.89 C ATOM 793 CG ASN A 53 1.663 -11.036 -7.439 1.00 0.96 C ATOM 794 OD1 ASN A 53 2.506 -10.356 -8.002 1.00 1.93 O ATOM 795 ND2 ASN A 53 1.139 -12.145 -7.952 1.00 1.75 N ATOM 0 H ASN A 53 1.792 -9.016 -4.337 1.00 0.65 H new ATOM 0 HA ASN A 53 0.879 -8.730 -6.963 1.00 0.69 H new ATOM 0 HB2 ASN A 53 1.901 -10.783 -5.310 1.00 0.89 H new ATOM 0 HB3 ASN A 53 0.315 -11.356 -5.786 1.00 0.89 H new ATOM 0 HD21 ASN A 53 1.439 -12.474 -8.870 1.00 1.75 H new ATOM 0 HD22 ASN A 53 0.437 -12.667 -7.428 1.00 1.75 H new ATOM 802 N GLU A 54 -1.372 -9.333 -4.644 1.00 0.69 N ATOM 803 CA GLU A 54 -2.795 -9.388 -4.354 1.00 0.74 C ATOM 804 C GLU A 54 -3.453 -8.044 -4.673 1.00 0.64 C ATOM 805 O GLU A 54 -4.373 -7.978 -5.487 1.00 0.68 O ATOM 806 CB GLU A 54 -3.043 -9.788 -2.898 1.00 0.87 C ATOM 807 CG GLU A 54 -4.503 -10.188 -2.681 1.00 0.73 C ATOM 808 CD GLU A 54 -4.616 -11.664 -2.292 1.00 1.01 C ATOM 809 OE1 GLU A 54 -3.925 -12.050 -1.325 1.00 2.13 O ATOM 810 OE2 GLU A 54 -5.391 -12.372 -2.971 1.00 1.55 O ATOM 0 H GLU A 54 -0.769 -9.333 -3.821 1.00 0.69 H new ATOM 0 HA GLU A 54 -3.246 -10.151 -4.988 1.00 0.74 H new ATOM 0 HB2 GLU A 54 -2.391 -10.619 -2.629 1.00 0.87 H new ATOM 0 HB3 GLU A 54 -2.788 -8.957 -2.240 1.00 0.87 H new ATOM 0 HG2 GLU A 54 -4.941 -9.568 -1.899 1.00 0.73 H new ATOM 0 HG3 GLU A 54 -5.073 -10.004 -3.591 1.00 0.73 H new ATOM 817 N VAL A 55 -2.957 -7.007 -4.016 1.00 0.55 N ATOM 818 CA VAL A 55 -3.486 -5.669 -4.219 1.00 0.54 C ATOM 819 C VAL A 55 -3.367 -5.298 -5.699 1.00 0.46 C ATOM 820 O VAL A 55 -4.271 -4.685 -6.263 1.00 0.62 O ATOM 821 CB VAL A 55 -2.774 -4.679 -3.296 1.00 0.51 C ATOM 822 CG1 VAL A 55 -2.552 -5.285 -1.908 1.00 0.54 C ATOM 823 CG2 VAL A 55 -1.451 -4.211 -3.907 1.00 0.47 C ATOM 0 H VAL A 55 -2.194 -7.066 -3.342 1.00 0.55 H new ATOM 0 HA VAL A 55 -4.544 -5.633 -3.958 1.00 0.54 H new ATOM 0 HB VAL A 55 -3.417 -3.807 -3.182 1.00 0.51 H new ATOM 0 HG11 VAL A 55 -2.044 -4.560 -1.272 1.00 0.54 H new ATOM 0 HG12 VAL A 55 -3.514 -5.544 -1.466 1.00 0.54 H new ATOM 0 HG13 VAL A 55 -1.940 -6.182 -1.996 1.00 0.54 H new ATOM 0 HG21 VAL A 55 -0.966 -3.508 -3.230 1.00 0.47 H new ATOM 0 HG22 VAL A 55 -0.799 -5.070 -4.066 1.00 0.47 H new ATOM 0 HG23 VAL A 55 -1.644 -3.721 -4.861 1.00 0.47 H new ATOM 833 N ASP A 56 -2.243 -5.685 -6.285 1.00 0.32 N ATOM 834 CA ASP A 56 -1.995 -5.401 -7.688 1.00 0.31 C ATOM 835 C ASP A 56 -3.209 -5.830 -8.514 1.00 0.40 C ATOM 836 O ASP A 56 -3.466 -7.023 -8.673 1.00 0.57 O ATOM 837 CB ASP A 56 -0.777 -6.174 -8.199 1.00 0.48 C ATOM 838 CG ASP A 56 -0.503 -6.031 -9.698 1.00 0.66 C ATOM 839 OD1 ASP A 56 -0.372 -4.871 -10.142 1.00 0.68 O ATOM 840 OD2 ASP A 56 -0.431 -7.086 -10.365 1.00 1.02 O ATOM 0 H ASP A 56 -1.494 -6.193 -5.814 1.00 0.32 H new ATOM 0 HA ASP A 56 -1.811 -4.331 -7.788 1.00 0.31 H new ATOM 0 HB2 ASP A 56 0.103 -5.839 -7.650 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -0.913 -7.231 -7.969 1.00 0.48 H new ATOM 845 N ALA A 57 -3.923 -4.835 -9.018 1.00 0.57 N ATOM 846 CA ALA A 57 -5.104 -5.095 -9.824 1.00 0.78 C ATOM 847 C ALA A 57 -4.779 -4.834 -11.296 1.00 0.78 C ATOM 848 O ALA A 57 -4.930 -5.721 -12.135 1.00 0.81 O ATOM 849 CB ALA A 57 -6.265 -4.234 -9.322 1.00 1.05 C ATOM 0 H ALA A 57 -3.707 -3.847 -8.884 1.00 0.57 H new ATOM 0 HA ALA A 57 -5.408 -6.138 -9.733 1.00 0.78 H new ATOM 0 HB1 ALA A 57 -7.151 -4.429 -9.927 1.00 1.05 H new ATOM 0 HB2 ALA A 57 -6.475 -4.478 -8.281 1.00 1.05 H new ATOM 0 HB3 ALA A 57 -5.997 -3.180 -9.400 1.00 1.05 H new ATOM 855 N ASP A 58 -4.340 -3.614 -11.565 1.00 0.80 N ATOM 856 CA ASP A 58 -3.992 -3.225 -12.921 1.00 0.83 C ATOM 857 C ASP A 58 -3.201 -4.355 -13.584 1.00 0.73 C ATOM 858 O ASP A 58 -3.330 -4.586 -14.785 1.00 0.77 O ATOM 859 CB ASP A 58 -3.119 -1.969 -12.928 1.00 0.86 C ATOM 860 CG ASP A 58 -3.408 -0.974 -11.802 1.00 1.62 C ATOM 861 OD1 ASP A 58 -4.609 -0.769 -11.521 1.00 2.83 O ATOM 862 OD2 ASP A 58 -2.422 -0.442 -11.248 1.00 2.11 O ATOM 0 H ASP A 58 -4.217 -2.881 -10.866 1.00 0.80 H new ATOM 0 HA ASP A 58 -4.917 -3.023 -13.461 1.00 0.83 H new ATOM 0 HB2 ASP A 58 -2.074 -2.271 -12.866 1.00 0.86 H new ATOM 0 HB3 ASP A 58 -3.248 -1.461 -13.884 1.00 0.86 H new ATOM 867 N GLY A 59 -2.400 -5.028 -12.772 1.00 0.65 N ATOM 868 CA GLY A 59 -1.588 -6.128 -13.264 1.00 0.61 C ATOM 869 C GLY A 59 -0.126 -5.703 -13.420 1.00 0.62 C ATOM 870 O GLY A 59 0.218 -4.984 -14.357 1.00 0.89 O ATOM 0 H GLY A 59 -2.296 -4.833 -11.776 1.00 0.65 H new ATOM 0 HA2 GLY A 59 -1.654 -6.970 -12.575 1.00 0.61 H new ATOM 0 HA3 GLY A 59 -1.975 -6.470 -14.224 1.00 0.61 H new ATOM 874 N ASP A 60 0.694 -6.166 -12.488 1.00 0.51 N ATOM 875 CA ASP A 60 2.110 -5.843 -12.511 1.00 0.69 C ATOM 876 C ASP A 60 2.745 -6.258 -11.182 1.00 0.80 C ATOM 877 O ASP A 60 3.647 -7.093 -11.154 1.00 1.10 O ATOM 878 CB ASP A 60 2.330 -4.340 -12.691 1.00 0.68 C ATOM 879 CG ASP A 60 1.435 -3.448 -11.828 1.00 1.04 C ATOM 880 OD1 ASP A 60 0.207 -3.482 -12.059 1.00 1.07 O ATOM 881 OD2 ASP A 60 1.999 -2.752 -10.957 1.00 2.73 O ATOM 0 H ASP A 60 0.405 -6.762 -11.712 1.00 0.51 H new ATOM 0 HA ASP A 60 2.563 -6.376 -13.347 1.00 0.69 H new ATOM 0 HB2 ASP A 60 3.372 -4.111 -12.466 1.00 0.68 H new ATOM 0 HB3 ASP A 60 2.168 -4.087 -13.739 1.00 0.68 H new ATOM 886 N GLY A 61 2.247 -5.655 -10.112 1.00 0.67 N ATOM 887 CA GLY A 61 2.754 -5.951 -8.783 1.00 0.88 C ATOM 888 C GLY A 61 2.683 -4.716 -7.881 1.00 1.20 C ATOM 889 O GLY A 61 2.165 -4.785 -6.768 1.00 2.73 O ATOM 0 H GLY A 61 1.498 -4.963 -10.139 1.00 0.67 H new ATOM 0 HA2 GLY A 61 2.175 -6.762 -8.341 1.00 0.88 H new ATOM 0 HA3 GLY A 61 3.785 -6.297 -8.852 1.00 0.88 H new ATOM 893 N THR A 62 3.211 -3.616 -8.397 1.00 0.64 N ATOM 894 CA THR A 62 3.214 -2.368 -7.652 1.00 0.53 C ATOM 895 C THR A 62 1.806 -2.043 -7.150 1.00 0.34 C ATOM 896 O THR A 62 0.823 -2.591 -7.648 1.00 0.36 O ATOM 897 CB THR A 62 3.803 -1.281 -8.554 1.00 0.64 C ATOM 898 OG1 THR A 62 5.129 -1.731 -8.819 1.00 1.04 O ATOM 899 CG2 THR A 62 4.000 0.046 -7.819 1.00 0.69 C ATOM 0 H THR A 62 3.639 -3.563 -9.321 1.00 0.64 H new ATOM 0 HA THR A 62 3.834 -2.442 -6.759 1.00 0.53 H new ATOM 0 HB THR A 62 3.148 -1.127 -9.412 1.00 0.64 H new ATOM 0 HG1 THR A 62 5.584 -1.085 -9.399 1.00 1.04 H new ATOM 0 HG21 THR A 62 4.420 0.782 -8.504 1.00 0.69 H new ATOM 0 HG22 THR A 62 3.039 0.402 -7.448 1.00 0.69 H new ATOM 0 HG23 THR A 62 4.681 -0.100 -6.981 1.00 0.69 H new ATOM 907 N ILE A 63 1.752 -1.154 -6.169 1.00 0.35 N ATOM 908 CA ILE A 63 0.481 -0.750 -5.593 1.00 0.33 C ATOM 909 C ILE A 63 0.091 0.623 -6.143 1.00 0.36 C ATOM 910 O ILE A 63 0.836 1.220 -6.919 1.00 0.58 O ATOM 911 CB ILE A 63 0.542 -0.806 -4.066 1.00 0.47 C ATOM 912 CG1 ILE A 63 1.470 -1.928 -3.595 1.00 0.39 C ATOM 913 CG2 ILE A 63 -0.859 -0.930 -3.465 1.00 0.85 C ATOM 914 CD1 ILE A 63 1.438 -2.063 -2.071 1.00 0.49 C ATOM 0 H ILE A 63 2.569 -0.702 -5.758 1.00 0.35 H new ATOM 0 HA ILE A 63 -0.307 -1.446 -5.882 1.00 0.33 H new ATOM 0 HB ILE A 63 0.964 0.133 -3.707 1.00 0.47 H new ATOM 0 HG12 ILE A 63 1.169 -2.870 -4.053 1.00 0.39 H new ATOM 0 HG13 ILE A 63 2.489 -1.724 -3.924 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -0.787 -0.968 -2.378 1.00 0.85 H new ATOM 0 HG22 ILE A 63 -1.459 -0.069 -3.759 1.00 0.85 H new ATOM 0 HG23 ILE A 63 -1.332 -1.842 -3.829 1.00 0.85 H new ATOM 0 HD11 ILE A 63 2.106 -2.867 -1.763 1.00 0.49 H new ATOM 0 HD12 ILE A 63 1.763 -1.127 -1.616 1.00 0.49 H new ATOM 0 HD13 ILE A 63 0.422 -2.291 -1.747 1.00 0.49 H new ATOM 926 N ASP A 64 -1.077 1.085 -5.720 1.00 0.38 N ATOM 927 CA ASP A 64 -1.575 2.377 -6.161 1.00 0.42 C ATOM 928 C ASP A 64 -2.501 2.954 -5.088 1.00 0.40 C ATOM 929 O ASP A 64 -2.750 2.314 -4.068 1.00 0.47 O ATOM 930 CB ASP A 64 -2.378 2.245 -7.456 1.00 0.51 C ATOM 931 CG ASP A 64 -2.473 3.523 -8.291 1.00 1.47 C ATOM 932 OD1 ASP A 64 -2.349 4.608 -7.684 1.00 2.85 O ATOM 933 OD2 ASP A 64 -2.668 3.386 -9.519 1.00 2.16 O ATOM 0 H ASP A 64 -1.693 0.588 -5.077 1.00 0.38 H new ATOM 0 HA ASP A 64 -0.718 3.028 -6.333 1.00 0.42 H new ATOM 0 HB2 ASP A 64 -1.928 1.463 -8.067 1.00 0.51 H new ATOM 0 HB3 ASP A 64 -3.387 1.915 -7.208 1.00 0.51 H new ATOM 938 N PHE A 65 -2.985 4.158 -5.355 1.00 0.41 N ATOM 939 CA PHE A 65 -3.877 4.830 -4.425 1.00 0.43 C ATOM 940 C PHE A 65 -5.167 4.031 -4.230 1.00 0.46 C ATOM 941 O PHE A 65 -5.551 3.730 -3.100 1.00 0.47 O ATOM 942 CB PHE A 65 -4.221 6.189 -5.037 1.00 0.48 C ATOM 943 CG PHE A 65 -3.838 7.382 -4.159 1.00 0.67 C ATOM 944 CD1 PHE A 65 -4.456 7.572 -2.963 1.00 0.70 C ATOM 945 CD2 PHE A 65 -2.879 8.252 -4.574 1.00 1.93 C ATOM 946 CE1 PHE A 65 -4.101 8.679 -2.147 1.00 0.52 C ATOM 947 CE2 PHE A 65 -2.523 9.359 -3.759 1.00 2.26 C ATOM 948 CZ PHE A 65 -3.142 9.549 -2.563 1.00 1.26 C ATOM 0 H PHE A 65 -2.776 4.686 -6.202 1.00 0.41 H new ATOM 0 HA PHE A 65 -3.393 4.932 -3.454 1.00 0.43 H new ATOM 0 HB2 PHE A 65 -3.716 6.281 -5.998 1.00 0.48 H new ATOM 0 HB3 PHE A 65 -5.292 6.226 -5.235 1.00 0.48 H new ATOM 0 HD1 PHE A 65 -5.217 6.881 -2.633 1.00 0.70 H new ATOM 0 HD2 PHE A 65 -2.388 8.101 -5.524 1.00 1.93 H new ATOM 0 HE1 PHE A 65 -4.592 8.830 -1.197 1.00 0.52 H new ATOM 0 HE2 PHE A 65 -1.761 10.050 -4.089 1.00 2.26 H new ATOM 0 HZ PHE A 65 -2.872 10.391 -1.943 1.00 1.26 H new ATOM 958 N PRO A 66 -5.818 3.701 -5.377 1.00 0.53 N ATOM 959 CA PRO A 66 -7.057 2.942 -5.343 1.00 0.61 C ATOM 960 C PRO A 66 -6.790 1.469 -5.031 1.00 0.57 C ATOM 961 O PRO A 66 -7.631 0.794 -4.439 1.00 0.67 O ATOM 962 CB PRO A 66 -7.686 3.155 -6.711 1.00 0.74 C ATOM 963 CG PRO A 66 -6.563 3.637 -7.616 1.00 0.70 C ATOM 964 CD PRO A 66 -5.394 4.039 -6.733 1.00 0.57 C ATOM 0 HA PRO A 66 -7.731 3.273 -4.553 1.00 0.61 H new ATOM 0 HB2 PRO A 66 -8.122 2.230 -7.089 1.00 0.74 H new ATOM 0 HB3 PRO A 66 -8.490 3.889 -6.661 1.00 0.74 H new ATOM 0 HG2 PRO A 66 -6.266 2.849 -8.308 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -6.895 4.482 -8.219 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -4.487 3.502 -7.009 1.00 0.57 H new ATOM 0 HD3 PRO A 66 -5.176 5.103 -6.826 1.00 0.57 H new ATOM 972 N GLU A 67 -5.616 1.013 -5.442 1.00 0.49 N ATOM 973 CA GLU A 67 -5.227 -0.368 -5.213 1.00 0.46 C ATOM 974 C GLU A 67 -4.956 -0.604 -3.726 1.00 0.38 C ATOM 975 O GLU A 67 -5.417 -1.591 -3.156 1.00 0.42 O ATOM 976 CB GLU A 67 -4.007 -0.742 -6.058 1.00 0.47 C ATOM 977 CG GLU A 67 -4.407 -1.003 -7.512 1.00 0.60 C ATOM 978 CD GLU A 67 -3.190 -1.389 -8.354 1.00 0.65 C ATOM 979 OE1 GLU A 67 -2.539 -0.456 -8.872 1.00 1.85 O ATOM 980 OE2 GLU A 67 -2.937 -2.609 -8.462 1.00 1.80 O ATOM 0 H GLU A 67 -4.921 1.576 -5.933 1.00 0.49 H new ATOM 0 HA GLU A 67 -6.051 -1.012 -5.519 1.00 0.46 H new ATOM 0 HB2 GLU A 67 -3.272 0.062 -6.018 1.00 0.47 H new ATOM 0 HB3 GLU A 67 -3.531 -1.630 -5.643 1.00 0.47 H new ATOM 0 HG2 GLU A 67 -5.149 -1.801 -7.551 1.00 0.60 H new ATOM 0 HG3 GLU A 67 -4.875 -0.112 -7.930 1.00 0.60 H new ATOM 987 N PHE A 68 -4.209 0.320 -3.139 1.00 0.44 N ATOM 988 CA PHE A 68 -3.871 0.225 -1.729 1.00 0.38 C ATOM 989 C PHE A 68 -5.123 0.339 -0.857 1.00 0.37 C ATOM 990 O PHE A 68 -5.302 -0.434 0.083 1.00 0.35 O ATOM 991 CB PHE A 68 -2.936 1.394 -1.414 1.00 0.41 C ATOM 992 CG PHE A 68 -2.294 1.321 -0.027 1.00 0.72 C ATOM 993 CD1 PHE A 68 -2.456 0.209 0.740 1.00 1.65 C ATOM 994 CD2 PHE A 68 -1.562 2.368 0.440 1.00 0.66 C ATOM 995 CE1 PHE A 68 -1.861 0.141 2.027 1.00 2.01 C ATOM 996 CE2 PHE A 68 -0.966 2.299 1.727 1.00 0.80 C ATOM 997 CZ PHE A 68 -1.128 1.188 2.494 1.00 1.41 C ATOM 0 H PHE A 68 -3.828 1.138 -3.615 1.00 0.44 H new ATOM 0 HA PHE A 68 -3.403 -0.737 -1.522 1.00 0.38 H new ATOM 0 HB2 PHE A 68 -2.148 1.429 -2.166 1.00 0.41 H new ATOM 0 HB3 PHE A 68 -3.496 2.326 -1.495 1.00 0.41 H new ATOM 0 HD1 PHE A 68 -3.037 -0.622 0.370 1.00 1.65 H new ATOM 0 HD2 PHE A 68 -1.434 3.251 -0.168 1.00 0.66 H new ATOM 0 HE1 PHE A 68 -1.990 -0.742 2.636 1.00 2.01 H new ATOM 0 HE2 PHE A 68 -0.383 3.130 2.097 1.00 0.80 H new ATOM 0 HZ PHE A 68 -0.675 1.137 3.473 1.00 1.41 H new ATOM 1007 N LEU A 69 -5.958 1.310 -1.199 1.00 0.47 N ATOM 1008 CA LEU A 69 -7.187 1.535 -0.459 1.00 0.53 C ATOM 1009 C LEU A 69 -7.962 0.220 -0.354 1.00 0.40 C ATOM 1010 O LEU A 69 -8.642 -0.026 0.641 1.00 0.49 O ATOM 1011 CB LEU A 69 -7.991 2.674 -1.089 1.00 0.78 C ATOM 1012 CG LEU A 69 -9.199 2.257 -1.931 1.00 1.00 C ATOM 1013 CD1 LEU A 69 -10.391 1.901 -1.040 1.00 1.85 C ATOM 1014 CD2 LEU A 69 -9.552 3.337 -2.956 1.00 1.72 C ATOM 0 H LEU A 69 -5.807 1.950 -1.979 1.00 0.47 H new ATOM 0 HA LEU A 69 -6.965 1.857 0.558 1.00 0.53 H new ATOM 0 HB2 LEU A 69 -8.338 3.331 -0.292 1.00 0.78 H new ATOM 0 HB3 LEU A 69 -7.321 3.261 -1.717 1.00 0.78 H new ATOM 0 HG LEU A 69 -8.934 1.359 -2.488 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -11.236 1.608 -1.663 1.00 1.85 H new ATOM 0 HD12 LEU A 69 -10.120 1.074 -0.383 1.00 1.85 H new ATOM 0 HD13 LEU A 69 -10.667 2.767 -0.438 1.00 1.85 H new ATOM 0 HD21 LEU A 69 -10.414 3.016 -3.541 1.00 1.72 H new ATOM 0 HD22 LEU A 69 -9.791 4.266 -2.438 1.00 1.72 H new ATOM 0 HD23 LEU A 69 -8.703 3.500 -3.620 1.00 1.72 H new ATOM 1026 N THR A 70 -7.835 -0.590 -1.395 1.00 0.40 N ATOM 1027 CA THR A 70 -8.515 -1.873 -1.432 1.00 0.41 C ATOM 1028 C THR A 70 -7.866 -2.849 -0.449 1.00 0.37 C ATOM 1029 O THR A 70 -8.545 -3.694 0.133 1.00 0.56 O ATOM 1030 CB THR A 70 -8.505 -2.371 -2.879 1.00 0.56 C ATOM 1031 OG1 THR A 70 -9.627 -1.726 -3.475 1.00 0.61 O ATOM 1032 CG2 THR A 70 -8.831 -3.862 -2.987 1.00 0.73 C ATOM 0 H THR A 70 -7.271 -0.382 -2.219 1.00 0.40 H new ATOM 0 HA THR A 70 -9.553 -1.780 -1.112 1.00 0.41 H new ATOM 0 HB THR A 70 -7.528 -2.180 -3.322 1.00 0.56 H new ATOM 0 HG1 THR A 70 -9.695 -1.991 -4.416 1.00 0.61 H new ATOM 0 HG21 THR A 70 -8.811 -4.164 -4.034 1.00 0.73 H new ATOM 0 HG22 THR A 70 -8.092 -4.437 -2.429 1.00 0.73 H new ATOM 0 HG23 THR A 70 -9.823 -4.048 -2.575 1.00 0.73 H new ATOM 1040 N MET A 71 -6.558 -2.702 -0.294 1.00 0.50 N ATOM 1041 CA MET A 71 -5.810 -3.560 0.609 1.00 0.54 C ATOM 1042 C MET A 71 -6.332 -3.436 2.041 1.00 0.58 C ATOM 1043 O MET A 71 -6.799 -4.414 2.623 1.00 0.62 O ATOM 1044 CB MET A 71 -4.329 -3.175 0.569 1.00 0.71 C ATOM 1045 CG MET A 71 -3.492 -4.129 1.424 1.00 0.66 C ATOM 1046 SD MET A 71 -2.916 -3.288 2.889 1.00 2.48 S ATOM 1047 CE MET A 71 -1.185 -3.116 2.488 1.00 2.77 C ATOM 0 H MET A 71 -5.997 -2.001 -0.779 1.00 0.50 H new ATOM 0 HA MET A 71 -5.935 -4.593 0.286 1.00 0.54 H new ATOM 0 HB2 MET A 71 -3.972 -3.195 -0.461 1.00 0.71 H new ATOM 0 HB3 MET A 71 -4.205 -2.154 0.929 1.00 0.71 H new ATOM 0 HG2 MET A 71 -4.088 -4.998 1.704 1.00 0.66 H new ATOM 0 HG3 MET A 71 -2.643 -4.497 0.848 1.00 0.66 H new ATOM 0 HE1 MET A 71 -0.693 -2.515 3.252 1.00 2.77 H new ATOM 0 HE2 MET A 71 -0.721 -4.102 2.447 1.00 2.77 H new ATOM 0 HE3 MET A 71 -1.083 -2.627 1.519 1.00 2.77 H new ATOM 1057 N MET A 72 -6.234 -2.225 2.570 1.00 0.66 N ATOM 1058 CA MET A 72 -6.690 -1.960 3.924 1.00 0.79 C ATOM 1059 C MET A 72 -8.169 -2.321 4.085 1.00 0.74 C ATOM 1060 O MET A 72 -8.562 -2.911 5.089 1.00 0.90 O ATOM 1061 CB MET A 72 -6.487 -0.480 4.251 1.00 0.91 C ATOM 1062 CG MET A 72 -7.172 0.410 3.213 1.00 2.75 C ATOM 1063 SD MET A 72 -8.808 0.855 3.773 1.00 4.44 S ATOM 1064 CE MET A 72 -9.358 1.830 2.383 1.00 6.98 C ATOM 0 H MET A 72 -5.845 -1.416 2.085 1.00 0.66 H new ATOM 0 HA MET A 72 -6.108 -2.575 4.610 1.00 0.79 H new ATOM 0 HB2 MET A 72 -6.888 -0.264 5.241 1.00 0.91 H new ATOM 0 HB3 MET A 72 -5.421 -0.254 4.283 1.00 0.91 H new ATOM 0 HG2 MET A 72 -6.579 1.309 3.045 1.00 2.75 H new ATOM 0 HG3 MET A 72 -7.235 -0.113 2.259 1.00 2.75 H new ATOM 0 HE1 MET A 72 -9.989 2.645 2.737 1.00 6.98 H new ATOM 0 HE2 MET A 72 -8.493 2.240 1.861 1.00 6.98 H new ATOM 0 HE3 MET A 72 -9.929 1.201 1.700 1.00 6.98 H new ATOM 1074 N ALA A 73 -8.948 -1.950 3.079 1.00 0.67 N ATOM 1075 CA ALA A 73 -10.374 -2.226 3.096 1.00 0.78 C ATOM 1076 C ALA A 73 -10.595 -3.739 3.168 1.00 0.89 C ATOM 1077 O ALA A 73 -11.271 -4.228 4.072 1.00 1.10 O ATOM 1078 CB ALA A 73 -11.031 -1.599 1.865 1.00 0.70 C ATOM 0 H ALA A 73 -8.618 -1.461 2.247 1.00 0.67 H new ATOM 0 HA ALA A 73 -10.840 -1.782 3.975 1.00 0.78 H new ATOM 0 HB1 ALA A 73 -12.101 -1.806 1.878 1.00 0.70 H new ATOM 0 HB2 ALA A 73 -10.870 -0.521 1.876 1.00 0.70 H new ATOM 0 HB3 ALA A 73 -10.591 -2.022 0.962 1.00 0.70 H new ATOM 1084 N ARG A 74 -10.012 -4.436 2.205 1.00 0.77 N ATOM 1085 CA ARG A 74 -10.137 -5.883 2.148 1.00 0.90 C ATOM 1086 C ARG A 74 -9.552 -6.516 3.411 1.00 0.97 C ATOM 1087 O ARG A 74 -10.104 -7.480 3.940 1.00 1.15 O ATOM 1088 CB ARG A 74 -9.419 -6.450 0.921 1.00 0.82 C ATOM 1089 CG ARG A 74 -10.173 -6.105 -0.364 1.00 0.90 C ATOM 1090 CD ARG A 74 -10.500 -7.367 -1.164 1.00 1.52 C ATOM 1091 NE ARG A 74 -11.914 -7.338 -1.600 1.00 1.68 N ATOM 1092 CZ ARG A 74 -12.344 -6.731 -2.715 1.00 2.68 C ATOM 1093 NH1 ARG A 74 -11.472 -6.099 -3.512 1.00 4.00 N ATOM 1094 NH2 ARG A 74 -13.646 -6.756 -3.031 1.00 3.44 N ATOM 0 H ARG A 74 -9.452 -4.026 1.458 1.00 0.77 H new ATOM 0 HA ARG A 74 -11.198 -6.122 2.076 1.00 0.90 H new ATOM 0 HB2 ARG A 74 -8.406 -6.050 0.871 1.00 0.82 H new ATOM 0 HB3 ARG A 74 -9.330 -7.532 1.015 1.00 0.82 H new ATOM 0 HG2 ARG A 74 -11.094 -5.577 -0.118 1.00 0.90 H new ATOM 0 HG3 ARG A 74 -9.571 -5.430 -0.973 1.00 0.90 H new ATOM 0 HD2 ARG A 74 -9.845 -7.437 -2.032 1.00 1.52 H new ATOM 0 HD3 ARG A 74 -10.317 -8.252 -0.554 1.00 1.52 H new ATOM 0 HE ARG A 74 -12.604 -7.809 -1.016 1.00 1.68 H new ATOM 0 HH11 ARG A 74 -10.481 -6.080 -3.270 1.00 4.00 H new ATOM 0 HH12 ARG A 74 -11.799 -5.637 -4.361 1.00 4.00 H new ATOM 0 HH21 ARG A 74 -14.309 -7.237 -2.423 1.00 3.44 H new ATOM 0 HH22 ARG A 74 -13.974 -6.294 -3.879 1.00 3.44 H new ATOM 1108 N LYS A 75 -8.441 -5.949 3.859 1.00 0.90 N ATOM 1109 CA LYS A 75 -7.775 -6.446 5.051 1.00 1.03 C ATOM 1110 C LYS A 75 -8.824 -6.787 6.112 1.00 1.34 C ATOM 1111 O LYS A 75 -8.919 -7.932 6.550 1.00 1.51 O ATOM 1112 CB LYS A 75 -6.718 -5.449 5.529 1.00 1.05 C ATOM 1113 CG LYS A 75 -5.306 -5.980 5.271 1.00 1.19 C ATOM 1114 CD LYS A 75 -4.717 -6.607 6.536 1.00 1.68 C ATOM 1115 CE LYS A 75 -5.263 -8.019 6.754 1.00 1.75 C ATOM 1116 NZ LYS A 75 -5.071 -8.438 8.161 1.00 3.17 N ATOM 0 H LYS A 75 -7.985 -5.150 3.418 1.00 0.90 H new ATOM 0 HA LYS A 75 -7.235 -7.366 4.830 1.00 1.03 H new ATOM 0 HB2 LYS A 75 -6.852 -4.497 5.015 1.00 1.05 H new ATOM 0 HB3 LYS A 75 -6.849 -5.257 6.594 1.00 1.05 H new ATOM 0 HG2 LYS A 75 -5.333 -6.721 4.472 1.00 1.19 H new ATOM 0 HG3 LYS A 75 -4.664 -5.167 4.931 1.00 1.19 H new ATOM 0 HD2 LYS A 75 -3.630 -6.642 6.457 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -4.954 -5.985 7.399 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -6.323 -8.048 6.501 1.00 1.75 H new ATOM 0 HE3 LYS A 75 -4.757 -8.718 6.088 1.00 1.75 H new ATOM 0 HZ1 LYS A 75 -5.447 -9.399 8.292 1.00 3.17 H new ATOM 0 HZ2 LYS A 75 -4.057 -8.429 8.391 1.00 3.17 H new ATOM 0 HZ3 LYS A 75 -5.574 -7.781 8.791 1.00 3.17 H new ATOM 1130 N MET A 76 -9.584 -5.772 6.493 1.00 1.45 N ATOM 1131 CA MET A 76 -10.622 -5.949 7.494 1.00 1.78 C ATOM 1132 C MET A 76 -11.565 -7.091 7.110 1.00 1.92 C ATOM 1133 O MET A 76 -11.947 -7.898 7.956 1.00 2.21 O ATOM 1134 CB MET A 76 -11.422 -4.653 7.637 1.00 1.98 C ATOM 1135 CG MET A 76 -10.695 -3.657 8.544 1.00 1.80 C ATOM 1136 SD MET A 76 -11.801 -2.335 9.008 1.00 1.94 S ATOM 1137 CE MET A 76 -10.938 -1.696 10.434 1.00 3.14 C ATOM 0 H MET A 76 -9.502 -4.824 6.127 1.00 1.45 H new ATOM 0 HA MET A 76 -10.146 -6.198 8.442 1.00 1.78 H new ATOM 0 HB2 MET A 76 -11.579 -4.208 6.654 1.00 1.98 H new ATOM 0 HB3 MET A 76 -12.407 -4.873 8.048 1.00 1.98 H new ATOM 0 HG2 MET A 76 -10.328 -4.165 9.436 1.00 1.80 H new ATOM 0 HG3 MET A 76 -9.825 -3.250 8.028 1.00 1.80 H new ATOM 0 HE1 MET A 76 -11.496 -0.858 10.851 1.00 3.14 H new ATOM 0 HE2 MET A 76 -10.846 -2.480 11.185 1.00 3.14 H new ATOM 0 HE3 MET A 76 -9.945 -1.359 10.137 1.00 3.14 H new ATOM 1147 N LYS A 77 -11.914 -7.123 5.832 1.00 1.78 N ATOM 1148 CA LYS A 77 -12.805 -8.153 5.325 1.00 1.98 C ATOM 1149 C LYS A 77 -12.174 -9.527 5.557 1.00 2.13 C ATOM 1150 O LYS A 77 -12.808 -10.417 6.122 1.00 2.55 O ATOM 1151 CB LYS A 77 -13.162 -7.879 3.862 1.00 1.84 C ATOM 1152 CG LYS A 77 -14.632 -7.476 3.722 1.00 1.69 C ATOM 1153 CD LYS A 77 -14.803 -5.965 3.888 1.00 1.60 C ATOM 1154 CE LYS A 77 -15.714 -5.394 2.798 1.00 1.81 C ATOM 1155 NZ LYS A 77 -17.109 -5.847 2.999 1.00 2.36 N ATOM 0 H LYS A 77 -11.596 -6.452 5.133 1.00 1.78 H new ATOM 0 HA LYS A 77 -13.750 -8.141 5.868 1.00 1.98 H new ATOM 0 HB2 LYS A 77 -12.525 -7.086 3.471 1.00 1.84 H new ATOM 0 HB3 LYS A 77 -12.967 -8.769 3.264 1.00 1.84 H new ATOM 0 HG2 LYS A 77 -15.006 -7.783 2.745 1.00 1.69 H new ATOM 0 HG3 LYS A 77 -15.229 -7.998 4.470 1.00 1.69 H new ATOM 0 HD2 LYS A 77 -15.224 -5.749 4.870 1.00 1.60 H new ATOM 0 HD3 LYS A 77 -13.829 -5.478 3.845 1.00 1.60 H new ATOM 0 HE2 LYS A 77 -15.673 -4.305 2.815 1.00 1.81 H new ATOM 0 HE3 LYS A 77 -15.360 -5.711 1.817 1.00 1.81 H new ATOM 0 HZ1 LYS A 77 -17.717 -5.437 2.261 1.00 2.36 H new ATOM 0 HZ2 LYS A 77 -17.148 -6.885 2.943 1.00 2.36 H new ATOM 0 HZ3 LYS A 77 -17.443 -5.538 3.934 1.00 2.36 H new ATOM 1169 N ASP A 78 -10.934 -9.657 5.110 1.00 1.84 N ATOM 1170 CA ASP A 78 -10.211 -10.907 5.263 1.00 2.05 C ATOM 1171 C ASP A 78 -10.092 -11.245 6.750 1.00 2.23 C ATOM 1172 O ASP A 78 -10.570 -12.288 7.194 1.00 2.56 O ATOM 1173 CB ASP A 78 -8.797 -10.799 4.688 1.00 1.94 C ATOM 1174 CG ASP A 78 -8.583 -11.520 3.356 1.00 2.58 C ATOM 1175 OD1 ASP A 78 -8.979 -12.703 3.280 1.00 2.84 O ATOM 1176 OD2 ASP A 78 -8.029 -10.871 2.442 1.00 3.84 O ATOM 0 H ASP A 78 -10.412 -8.917 4.642 1.00 1.84 H new ATOM 0 HA ASP A 78 -10.760 -11.681 4.728 1.00 2.05 H new ATOM 0 HB2 ASP A 78 -8.554 -9.745 4.556 1.00 1.94 H new ATOM 0 HB3 ASP A 78 -8.093 -11.199 5.418 1.00 1.94 H new ATOM 1181 N THR A 79 -9.453 -10.343 7.480 1.00 2.06 N ATOM 1182 CA THR A 79 -9.265 -10.532 8.908 1.00 2.26 C ATOM 1183 C THR A 79 -10.618 -10.642 9.614 1.00 2.53 C ATOM 1184 O THR A 79 -10.751 -11.363 10.601 1.00 2.85 O ATOM 1185 CB THR A 79 -8.401 -9.382 9.428 1.00 2.06 C ATOM 1186 OG1 THR A 79 -7.927 -9.846 10.690 1.00 2.56 O ATOM 1187 CG2 THR A 79 -9.224 -8.140 9.774 1.00 2.12 C ATOM 0 H THR A 79 -9.059 -9.479 7.109 1.00 2.06 H new ATOM 0 HA THR A 79 -8.747 -11.468 9.118 1.00 2.26 H new ATOM 0 HB THR A 79 -7.653 -9.124 8.679 1.00 2.06 H new ATOM 0 HG1 THR A 79 -7.356 -9.161 11.097 1.00 2.56 H new ATOM 0 HG21 THR A 79 -8.562 -7.355 10.138 1.00 2.12 H new ATOM 0 HG22 THR A 79 -9.747 -7.790 8.884 1.00 2.12 H new ATOM 0 HG23 THR A 79 -9.951 -8.389 10.547 1.00 2.12 H new