USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 909 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 79 ASN : amide:sc= 0.844 K(o=-1.5,f=-8!) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.35 K(o=-1.5,f=-4.6!) USER MOD Set 2.1: A 71 MET CE :methyl 159:sc= -0.043 (180deg=-0.383) USER MOD Set 2.2: A 123 LYS NZ :NH3+ -114:sc= -0.292 (180deg=-1.69) USER MOD Set 3.1: A 49 GLN : amide:sc= -0.375 K(o=-2.2,f=-2.7) USER MOD Set 3.2: A 64 ASN : amide:sc= -1.87! C(o=-2.2!,f=-7.4!) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 SER OG : rot 29:sc= 0.925 USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= -4.32! (180deg=-6.02!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 19:sc= -1.56 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 0.419 (180deg=-0.261) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.498) USER MOD Single : A 28 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.01) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 39 HIS : no HE2:sc= -0.0623 K(o=-0.062,f=-0.82) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.354 (180deg=-1.23) USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.0127 USER MOD Single : A 45 ASN : amide:sc= -0.0485 K(o=-0.048,f=-1.9!) USER MOD Single : A 46 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.36) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -1.13 (180deg=-2.63!) USER MOD Single : A 48 THR OG1 : rot 84:sc= -0.569 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.3!) USER MOD Single : A 73 CYS SG : rot 30:sc= 0.0951 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.211 F(o=-1.5,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00164) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0505! F(o=-1.4,f=-0.051!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 109 SER OG : rot 180:sc= -0.12 USER MOD Single : A 116 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-7.5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -158:sc= 1.01 (180deg=-0.0818!) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.310 6.040 -12.107 1.00 0.00 N ATOM 97 CA ALA A 14 -0.115 6.443 -10.720 1.00 0.00 C ATOM 98 C ALA A 14 0.616 7.779 -10.633 1.00 0.00 C ATOM 99 O ALA A 14 1.793 7.877 -10.980 1.00 0.00 O ATOM 100 CB ALA A 14 0.652 5.370 -9.961 1.00 0.00 C ATOM 0 HA ALA A 14 -1.097 6.565 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.790 5.685 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.090 4.436 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.625 5.220 -10.428 1.00 0.00 H new ATOM 106 N PHE A 15 -0.089 8.805 -10.170 1.00 0.00 N ATOM 107 CA PHE A 15 0.492 10.136 -10.039 1.00 0.00 C ATOM 108 C PHE A 15 1.661 10.125 -9.058 1.00 0.00 C ATOM 109 O PHE A 15 2.674 10.790 -9.275 1.00 0.00 O ATOM 110 CB PHE A 15 -0.569 11.136 -9.576 1.00 0.00 C ATOM 111 CG PHE A 15 -1.329 10.684 -8.362 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.820 10.894 -7.091 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.554 10.049 -8.493 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.517 10.479 -5.972 1.00 0.00 C ATOM 115 CE2 PHE A 15 -3.256 9.632 -7.377 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.737 9.847 -6.116 1.00 0.00 C ATOM 0 H PHE A 15 -1.064 8.741 -9.879 1.00 0.00 H new ATOM 0 HA PHE A 15 0.865 10.440 -11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.088 12.090 -9.359 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.272 11.311 -10.391 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.133 11.388 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.965 9.878 -9.477 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.109 10.648 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.210 9.138 -7.492 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.284 9.522 -5.243 1.00 0.00 H new ATOM 126 N TYR A 16 1.511 9.367 -7.978 1.00 0.00 N ATOM 127 CA TYR A 16 2.551 9.271 -6.961 1.00 0.00 C ATOM 128 C TYR A 16 3.466 8.080 -7.228 1.00 0.00 C ATOM 129 O TYR A 16 3.001 6.977 -7.513 1.00 0.00 O ATOM 130 CB TYR A 16 1.925 9.146 -5.571 1.00 0.00 C ATOM 131 CG TYR A 16 2.934 9.188 -4.446 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.804 10.262 -4.306 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.018 8.153 -3.523 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.728 10.304 -3.280 1.00 0.00 C ATOM 135 CE2 TYR A 16 3.938 8.187 -2.493 1.00 0.00 C ATOM 136 CZ TYR A 16 4.791 9.264 -2.376 1.00 0.00 C ATOM 137 OH TYR A 16 5.710 9.303 -1.352 1.00 0.00 O ATOM 0 H TYR A 16 0.679 8.810 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 16 3.149 10.182 -7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.205 9.953 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.370 8.210 -5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.757 11.078 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.352 7.307 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.397 11.146 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.989 7.374 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 16 5.884 10.235 -1.104 1.00 0.00 H new ATOM 147 N SER A 17 4.772 8.312 -7.133 1.00 0.00 N ATOM 148 CA SER A 17 5.754 7.261 -7.367 1.00 0.00 C ATOM 149 C SER A 17 6.903 7.358 -6.368 1.00 0.00 C ATOM 150 O SER A 17 7.752 8.244 -6.464 1.00 0.00 O ATOM 151 CB SER A 17 6.296 7.349 -8.795 1.00 0.00 C ATOM 152 OG SER A 17 6.995 8.564 -9.001 1.00 0.00 O ATOM 0 H SER A 17 5.174 9.219 -6.896 1.00 0.00 H new ATOM 0 HA SER A 17 5.259 6.299 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.960 6.507 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.472 7.275 -9.505 1.00 0.00 H new ATOM 0 HG SER A 17 7.386 8.864 -8.154 1.00 0.00 H new ATOM 158 N LYS A 18 6.923 6.440 -5.407 1.00 0.00 N ATOM 159 CA LYS A 18 7.967 6.420 -4.389 1.00 0.00 C ATOM 160 C LYS A 18 8.518 5.010 -4.204 1.00 0.00 C ATOM 161 O LYS A 18 7.764 4.059 -3.996 1.00 0.00 O ATOM 162 CB LYS A 18 7.421 6.944 -3.059 1.00 0.00 C ATOM 163 CG LYS A 18 8.478 7.073 -1.977 1.00 0.00 C ATOM 164 CD LYS A 18 8.640 5.778 -1.198 1.00 0.00 C ATOM 165 CE LYS A 18 7.617 5.670 -0.078 1.00 0.00 C ATOM 166 NZ LYS A 18 7.854 6.681 0.990 1.00 0.00 N ATOM 0 H LYS A 18 6.228 5.700 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 18 8.778 7.068 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.960 7.918 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.635 6.275 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.431 7.348 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.205 7.878 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.532 4.930 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.645 5.727 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.615 5.802 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.656 4.670 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.159 6.201 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.594 7.344 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.975 7.205 1.173 1.00 0.00 H new ATOM 180 N LYS A 19 9.838 4.881 -4.280 1.00 0.00 N ATOM 181 CA LYS A 19 10.492 3.588 -4.118 1.00 0.00 C ATOM 182 C LYS A 19 10.777 3.302 -2.647 1.00 0.00 C ATOM 183 O LYS A 19 11.391 4.116 -1.955 1.00 0.00 O ATOM 184 CB LYS A 19 11.796 3.549 -4.918 1.00 0.00 C ATOM 185 CG LYS A 19 11.594 3.275 -6.398 1.00 0.00 C ATOM 186 CD LYS A 19 11.041 4.493 -7.120 1.00 0.00 C ATOM 187 CE LYS A 19 12.149 5.458 -7.514 1.00 0.00 C ATOM 188 NZ LYS A 19 11.653 6.532 -8.418 1.00 0.00 N ATOM 0 H LYS A 19 10.477 5.657 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 19 9.818 2.819 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.313 4.501 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.446 2.780 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.543 2.984 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.911 2.435 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.500 4.175 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.324 5.004 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.576 5.907 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.950 4.909 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.438 7.169 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.269 6.106 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.906 7.073 -7.937 1.00 0.00 H new ATOM 202 N CYS A 20 10.329 2.144 -2.177 1.00 0.00 N ATOM 203 CA CYS A 20 10.537 1.751 -0.787 1.00 0.00 C ATOM 204 C CYS A 20 10.344 0.248 -0.613 1.00 0.00 C ATOM 205 O CYS A 20 10.010 -0.461 -1.562 1.00 0.00 O ATOM 206 CB CYS A 20 9.576 2.511 0.128 1.00 0.00 C ATOM 207 SG CYS A 20 7.830 2.140 -0.164 1.00 0.00 S ATOM 0 H CYS A 20 9.820 1.460 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 20 11.562 2.001 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.818 2.278 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.736 3.581 -0.003 1.00 0.00 H new ATOM 0 HG CYS A 20 7.727 1.020 -0.816 1.00 0.00 H new ATOM 213 N LYS A 21 10.559 -0.232 0.607 1.00 0.00 N ATOM 214 CA LYS A 21 10.410 -1.651 0.909 1.00 0.00 C ATOM 215 C LYS A 21 9.211 -1.891 1.822 1.00 0.00 C ATOM 216 O LYS A 21 8.673 -0.955 2.415 1.00 0.00 O ATOM 217 CB LYS A 21 11.682 -2.190 1.567 1.00 0.00 C ATOM 218 CG LYS A 21 12.943 -1.920 0.765 1.00 0.00 C ATOM 219 CD LYS A 21 14.187 -2.028 1.630 1.00 0.00 C ATOM 220 CE LYS A 21 14.479 -3.471 2.010 1.00 0.00 C ATOM 221 NZ LYS A 21 15.769 -3.603 2.741 1.00 0.00 N ATOM 0 H LYS A 21 10.837 0.341 1.403 1.00 0.00 H new ATOM 0 HA LYS A 21 10.241 -2.180 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.787 -1.743 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.578 -3.265 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.010 -2.629 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.890 -0.924 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.041 -1.612 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.056 -1.432 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.669 -3.854 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.508 -4.085 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.931 -4.602 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.546 -3.262 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.733 -3.038 3.613 1.00 0.00 H new ATOM 235 N LEU A 22 8.799 -3.149 1.931 1.00 0.00 N ATOM 236 CA LEU A 22 7.665 -3.511 2.774 1.00 0.00 C ATOM 237 C LEU A 22 8.084 -4.504 3.854 1.00 0.00 C ATOM 238 O LEU A 22 8.873 -5.414 3.602 1.00 0.00 O ATOM 239 CB LEU A 22 6.543 -4.109 1.923 1.00 0.00 C ATOM 240 CG LEU A 22 5.522 -3.117 1.364 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.675 -3.773 0.285 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.641 -2.573 2.479 1.00 0.00 C ATOM 0 H LEU A 22 9.233 -3.935 1.447 1.00 0.00 H new ATOM 0 HA LEU A 22 7.301 -2.606 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.994 -4.645 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.011 -4.846 2.525 1.00 0.00 H new ATOM 0 HG LEU A 22 6.062 -2.283 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.954 -3.052 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.319 -4.112 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.144 -4.626 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.921 -1.869 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.109 -3.396 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.261 -2.064 3.217 1.00 0.00 H new ATOM 254 N PHE A 23 7.549 -4.323 5.056 1.00 0.00 N ATOM 255 CA PHE A 23 7.866 -5.203 6.175 1.00 0.00 C ATOM 256 C PHE A 23 6.611 -5.543 6.972 1.00 0.00 C ATOM 257 O PHE A 23 5.803 -4.668 7.284 1.00 0.00 O ATOM 258 CB PHE A 23 8.903 -4.547 7.089 1.00 0.00 C ATOM 259 CG PHE A 23 10.217 -4.283 6.413 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.422 -3.113 5.700 1.00 0.00 C ATOM 261 CD2 PHE A 23 11.249 -5.205 6.489 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.630 -2.868 5.076 1.00 0.00 C ATOM 263 CE2 PHE A 23 12.460 -4.965 5.868 1.00 0.00 C ATOM 264 CZ PHE A 23 12.651 -3.795 5.161 1.00 0.00 C ATOM 0 H PHE A 23 6.893 -3.575 5.281 1.00 0.00 H new ATOM 0 HA PHE A 23 8.280 -6.127 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.501 -3.606 7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.071 -5.189 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.628 -2.384 5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.105 -6.122 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.776 -1.952 4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 23 13.256 -5.692 5.936 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.597 -3.605 4.675 1.00 0.00 H new ATOM 274 N TYR A 24 6.453 -6.821 7.299 1.00 0.00 N ATOM 275 CA TYR A 24 5.295 -7.279 8.057 1.00 0.00 C ATOM 276 C TYR A 24 5.721 -7.874 9.396 1.00 0.00 C ATOM 277 O TYR A 24 6.809 -8.437 9.521 1.00 0.00 O ATOM 278 CB TYR A 24 4.509 -8.316 7.253 1.00 0.00 C ATOM 279 CG TYR A 24 5.299 -9.569 6.945 1.00 0.00 C ATOM 280 CD1 TYR A 24 6.100 -9.648 5.814 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.243 -10.672 7.788 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.822 -10.791 5.529 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.963 -11.819 7.512 1.00 0.00 C ATOM 284 CZ TYR A 24 6.751 -11.873 6.381 1.00 0.00 C ATOM 285 OH TYR A 24 7.469 -13.013 6.101 1.00 0.00 O ATOM 0 H TYR A 24 7.113 -7.558 7.051 1.00 0.00 H new ATOM 0 HA TYR A 24 4.655 -6.418 8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.612 -8.590 7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.180 -7.865 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.160 -8.802 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.626 -10.632 8.674 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.439 -10.837 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.909 -12.668 8.178 1.00 0.00 H new ATOM 0 HH TYR A 24 7.309 -13.680 6.801 1.00 0.00 H new ATOM 295 N LYS A 25 4.855 -7.746 10.395 1.00 0.00 N ATOM 296 CA LYS A 25 5.137 -8.271 11.726 1.00 0.00 C ATOM 297 C LYS A 25 4.599 -9.691 11.876 1.00 0.00 C ATOM 298 O LYS A 25 3.388 -9.911 11.859 1.00 0.00 O ATOM 299 CB LYS A 25 4.523 -7.366 12.795 1.00 0.00 C ATOM 300 CG LYS A 25 4.954 -7.715 14.209 1.00 0.00 C ATOM 301 CD LYS A 25 6.275 -7.054 14.569 1.00 0.00 C ATOM 302 CE LYS A 25 6.727 -7.439 15.969 1.00 0.00 C ATOM 303 NZ LYS A 25 8.196 -7.263 16.145 1.00 0.00 N ATOM 0 H LYS A 25 3.951 -7.283 10.308 1.00 0.00 H new ATOM 0 HA LYS A 25 6.219 -8.295 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.798 -6.332 12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.437 -7.427 12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.184 -7.399 14.913 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.049 -8.797 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.037 -7.345 13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.171 -5.971 14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.198 -6.830 16.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.459 -8.477 16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.642 -8.191 16.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.596 -6.813 15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.377 -6.661 16.974 1.00 0.00 H new ATOM 317 N LYS A 26 5.506 -10.650 12.024 1.00 0.00 N ATOM 318 CA LYS A 26 5.123 -12.048 12.181 1.00 0.00 C ATOM 319 C LYS A 26 6.036 -12.754 13.178 1.00 0.00 C ATOM 320 O LYS A 26 7.226 -12.451 13.266 1.00 0.00 O ATOM 321 CB LYS A 26 5.173 -12.766 10.830 1.00 0.00 C ATOM 322 CG LYS A 26 4.343 -14.037 10.786 1.00 0.00 C ATOM 323 CD LYS A 26 3.838 -14.325 9.382 1.00 0.00 C ATOM 324 CE LYS A 26 3.391 -15.772 9.236 1.00 0.00 C ATOM 325 NZ LYS A 26 2.151 -16.050 10.012 1.00 0.00 N ATOM 0 H LYS A 26 6.512 -10.485 12.039 1.00 0.00 H new ATOM 0 HA LYS A 26 4.103 -12.079 12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.823 -12.086 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.209 -13.010 10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.943 -14.877 11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.496 -13.943 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.005 -13.661 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.626 -14.112 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.218 -15.994 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.188 -16.434 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.648 -16.855 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.401 -16.279 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.537 -15.211 9.997 1.00 0.00 H new ATOM 339 N ASP A 27 5.472 -13.697 13.924 1.00 0.00 N ATOM 340 CA ASP A 27 6.237 -14.448 14.913 1.00 0.00 C ATOM 341 C ASP A 27 7.027 -13.508 15.818 1.00 0.00 C ATOM 342 O ASP A 27 8.174 -13.784 16.166 1.00 0.00 O ATOM 343 CB ASP A 27 7.186 -15.427 14.220 1.00 0.00 C ATOM 344 CG ASP A 27 7.709 -14.890 12.902 1.00 0.00 C ATOM 345 OD1 ASP A 27 7.003 -15.035 11.881 1.00 0.00 O ATOM 346 OD2 ASP A 27 8.823 -14.327 12.890 1.00 0.00 O ATOM 0 H ASP A 27 4.488 -13.960 13.863 1.00 0.00 H new ATOM 0 HA ASP A 27 5.535 -15.010 15.528 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.026 -15.643 14.880 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.667 -16.369 14.045 1.00 0.00 H new ATOM 351 N ASN A 28 6.405 -12.395 16.194 1.00 0.00 N ATOM 352 CA ASN A 28 7.051 -11.413 17.057 1.00 0.00 C ATOM 353 C ASN A 28 8.360 -10.926 16.442 1.00 0.00 C ATOM 354 O ASN A 28 9.391 -10.876 17.113 1.00 0.00 O ATOM 355 CB ASN A 28 7.316 -12.013 18.439 1.00 0.00 C ATOM 356 CG ASN A 28 6.137 -11.845 19.378 1.00 0.00 C ATOM 357 OD1 ASN A 28 5.595 -12.823 19.892 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.735 -10.600 19.605 1.00 0.00 N ATOM 0 H ASN A 28 5.455 -12.151 15.915 1.00 0.00 H new ATOM 0 HA ASN A 28 6.380 -10.561 17.161 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.545 -13.073 18.334 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.195 -11.539 18.875 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.946 -10.424 20.228 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.215 -9.819 19.157 1.00 0.00 H new ATOM 365 N GLU A 29 8.310 -10.569 15.163 1.00 0.00 N ATOM 366 CA GLU A 29 9.492 -10.087 14.458 1.00 0.00 C ATOM 367 C GLU A 29 9.106 -9.418 13.142 1.00 0.00 C ATOM 368 O GLU A 29 8.084 -9.749 12.541 1.00 0.00 O ATOM 369 CB GLU A 29 10.460 -11.241 14.191 1.00 0.00 C ATOM 370 CG GLU A 29 11.848 -10.786 13.771 1.00 0.00 C ATOM 371 CD GLU A 29 12.413 -9.716 14.684 1.00 0.00 C ATOM 372 OE1 GLU A 29 12.926 -10.071 15.766 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.342 -8.525 14.317 1.00 0.00 O ATOM 0 H GLU A 29 7.464 -10.604 14.594 1.00 0.00 H new ATOM 0 HA GLU A 29 9.984 -9.348 15.091 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.543 -11.850 15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.045 -11.880 13.411 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.520 -11.644 13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.808 -10.404 12.751 1.00 0.00 H new ATOM 380 N PHE A 30 9.930 -8.473 12.701 1.00 0.00 N ATOM 381 CA PHE A 30 9.675 -7.756 11.457 1.00 0.00 C ATOM 382 C PHE A 30 10.380 -8.432 10.285 1.00 0.00 C ATOM 383 O PHE A 30 11.606 -8.537 10.259 1.00 0.00 O ATOM 384 CB PHE A 30 10.141 -6.303 11.577 1.00 0.00 C ATOM 385 CG PHE A 30 9.110 -5.391 12.178 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.955 -5.310 13.553 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.297 -4.614 11.369 1.00 0.00 C ATOM 388 CE1 PHE A 30 8.006 -4.473 14.108 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.347 -3.774 11.919 1.00 0.00 C ATOM 390 CZ PHE A 30 7.202 -3.702 13.291 1.00 0.00 C ATOM 0 H PHE A 30 10.780 -8.186 13.187 1.00 0.00 H new ATOM 0 HA PHE A 30 8.601 -7.773 11.271 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.044 -6.269 12.186 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.409 -5.933 10.588 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.583 -5.908 14.197 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.407 -4.665 10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.893 -4.422 15.181 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.719 -3.175 11.277 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.462 -3.045 13.724 1.00 0.00 H new ATOM 400 N LYS A 31 9.595 -8.891 9.316 1.00 0.00 N ATOM 401 CA LYS A 31 10.140 -9.557 8.139 1.00 0.00 C ATOM 402 C LYS A 31 9.838 -8.760 6.874 1.00 0.00 C ATOM 403 O LYS A 31 8.830 -8.058 6.798 1.00 0.00 O ATOM 404 CB LYS A 31 9.565 -10.970 8.015 1.00 0.00 C ATOM 405 CG LYS A 31 10.012 -11.908 9.122 1.00 0.00 C ATOM 406 CD LYS A 31 11.302 -12.624 8.760 1.00 0.00 C ATOM 407 CE LYS A 31 11.924 -13.301 9.972 1.00 0.00 C ATOM 408 NZ LYS A 31 12.921 -14.334 9.579 1.00 0.00 N ATOM 0 H LYS A 31 8.578 -8.814 9.323 1.00 0.00 H new ATOM 0 HA LYS A 31 11.222 -9.621 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.477 -10.912 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.860 -11.390 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.155 -11.343 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.230 -12.642 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.102 -13.368 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.009 -11.910 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.406 -12.551 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.140 -13.763 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.322 -14.772 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.456 -15.063 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.683 -13.889 9.028 1.00 0.00 H new ATOM 422 N GLU A 32 10.717 -8.876 5.883 1.00 0.00 N ATOM 423 CA GLU A 32 10.542 -8.167 4.621 1.00 0.00 C ATOM 424 C GLU A 32 9.563 -8.904 3.713 1.00 0.00 C ATOM 425 O GLU A 32 9.687 -10.110 3.495 1.00 0.00 O ATOM 426 CB GLU A 32 11.888 -8.003 3.912 1.00 0.00 C ATOM 427 CG GLU A 32 11.771 -7.431 2.509 1.00 0.00 C ATOM 428 CD GLU A 32 11.103 -6.070 2.488 1.00 0.00 C ATOM 429 OE1 GLU A 32 11.380 -5.258 3.396 1.00 0.00 O ATOM 430 OE2 GLU A 32 10.304 -5.816 1.562 1.00 0.00 O ATOM 0 H GLU A 32 11.556 -9.454 5.930 1.00 0.00 H new ATOM 0 HA GLU A 32 10.133 -7.181 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.527 -7.352 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.382 -8.973 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.765 -7.350 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.202 -8.121 1.886 1.00 0.00 H new ATOM 437 N LYS A 33 8.587 -8.172 3.186 1.00 0.00 N ATOM 438 CA LYS A 33 7.585 -8.755 2.301 1.00 0.00 C ATOM 439 C LYS A 33 8.105 -8.836 0.869 1.00 0.00 C ATOM 440 O LYS A 33 7.930 -9.847 0.192 1.00 0.00 O ATOM 441 CB LYS A 33 6.298 -7.928 2.341 1.00 0.00 C ATOM 442 CG LYS A 33 5.221 -8.434 1.396 1.00 0.00 C ATOM 443 CD LYS A 33 4.677 -9.781 1.839 1.00 0.00 C ATOM 444 CE LYS A 33 3.938 -10.483 0.711 1.00 0.00 C ATOM 445 NZ LYS A 33 3.951 -11.963 0.875 1.00 0.00 N ATOM 0 H LYS A 33 8.469 -7.173 3.357 1.00 0.00 H new ATOM 0 HA LYS A 33 7.372 -9.766 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.907 -7.929 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.533 -6.893 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.408 -7.710 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.630 -8.519 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.498 -10.410 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.004 -9.642 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.907 -10.131 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.396 -10.219 -0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.437 -12.404 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.934 -12.303 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.491 -12.217 1.773 1.00 0.00 H new ATOM 459 N GLY A 34 8.748 -7.764 0.416 1.00 0.00 N ATOM 460 CA GLY A 34 9.285 -7.736 -0.932 1.00 0.00 C ATOM 461 C GLY A 34 9.601 -6.329 -1.401 1.00 0.00 C ATOM 462 O GLY A 34 8.766 -5.430 -1.293 1.00 0.00 O ATOM 0 H GLY A 34 8.907 -6.915 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.191 -8.341 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.568 -8.191 -1.615 1.00 0.00 H new ATOM 466 N ILE A 35 10.808 -6.138 -1.921 1.00 0.00 N ATOM 467 CA ILE A 35 11.232 -4.831 -2.407 1.00 0.00 C ATOM 468 C ILE A 35 10.525 -4.474 -3.711 1.00 0.00 C ATOM 469 O ILE A 35 10.351 -5.320 -4.586 1.00 0.00 O ATOM 470 CB ILE A 35 12.755 -4.780 -2.631 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.493 -5.261 -1.380 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.189 -3.369 -2.999 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.869 -5.819 -1.668 1.00 0.00 C ATOM 0 H ILE A 35 11.510 -6.872 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 35 10.962 -4.106 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 35 13.008 -5.444 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.586 -4.430 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.895 -6.027 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.268 -3.349 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.685 -3.060 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.926 -2.685 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.334 -6.140 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.782 -6.671 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.484 -5.049 -2.133 1.00 0.00 H new ATOM 485 N GLY A 36 10.122 -3.212 -3.833 1.00 0.00 N ATOM 486 CA GLY A 36 9.441 -2.764 -5.033 1.00 0.00 C ATOM 487 C GLY A 36 9.182 -1.271 -5.029 1.00 0.00 C ATOM 488 O GLY A 36 9.959 -0.499 -4.466 1.00 0.00 O ATOM 0 H GLY A 36 10.255 -2.493 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.041 -3.023 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.493 -3.294 -5.129 1.00 0.00 H new ATOM 492 N THR A 37 8.086 -0.860 -5.660 1.00 0.00 N ATOM 493 CA THR A 37 7.727 0.550 -5.730 1.00 0.00 C ATOM 494 C THR A 37 6.255 0.761 -5.396 1.00 0.00 C ATOM 495 O THR A 37 5.409 -0.075 -5.717 1.00 0.00 O ATOM 496 CB THR A 37 8.013 1.134 -7.127 1.00 0.00 C ATOM 497 OG1 THR A 37 9.329 0.764 -7.553 1.00 0.00 O ATOM 498 CG2 THR A 37 7.887 2.650 -7.116 1.00 0.00 C ATOM 0 H THR A 37 7.431 -1.485 -6.130 1.00 0.00 H new ATOM 0 HA THR A 37 8.341 1.069 -4.994 1.00 0.00 H new ATOM 0 HB THR A 37 7.278 0.729 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.502 1.138 -8.442 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.093 3.039 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.876 2.929 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.601 3.069 -6.408 1.00 0.00 H new ATOM 506 N LEU A 38 5.954 1.882 -4.750 1.00 0.00 N ATOM 507 CA LEU A 38 4.582 2.202 -4.372 1.00 0.00 C ATOM 508 C LEU A 38 3.912 3.067 -5.436 1.00 0.00 C ATOM 509 O LEU A 38 4.513 4.009 -5.953 1.00 0.00 O ATOM 510 CB LEU A 38 4.558 2.924 -3.024 1.00 0.00 C ATOM 511 CG LEU A 38 3.224 3.554 -2.622 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.968 4.820 -3.426 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.087 2.560 -2.812 1.00 0.00 C ATOM 0 H LEU A 38 6.641 2.584 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 38 4.028 1.267 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.850 2.215 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.316 3.707 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 38 3.273 3.822 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.014 5.255 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.768 5.537 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.938 4.577 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.145 3.025 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.036 2.261 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.265 1.681 -2.192 1.00 0.00 H new ATOM 525 N HIS A 39 2.664 2.740 -5.757 1.00 0.00 N ATOM 526 CA HIS A 39 1.911 3.489 -6.757 1.00 0.00 C ATOM 527 C HIS A 39 0.504 3.800 -6.258 1.00 0.00 C ATOM 528 O HIS A 39 -0.075 3.035 -5.484 1.00 0.00 O ATOM 529 CB HIS A 39 1.839 2.702 -8.066 1.00 0.00 C ATOM 530 CG HIS A 39 3.181 2.395 -8.655 1.00 0.00 C ATOM 531 ND1 HIS A 39 3.736 3.127 -9.684 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.080 1.429 -8.354 1.00 0.00 C ATOM 533 CE1 HIS A 39 4.919 2.623 -9.991 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.151 1.592 -9.198 1.00 0.00 N ATOM 0 H HIS A 39 2.153 1.962 -5.340 1.00 0.00 H new ATOM 0 HA HIS A 39 2.429 4.431 -6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.306 1.767 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.255 3.270 -8.790 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.302 3.931 -10.137 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.975 0.671 -7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.583 2.991 -10.759 1.00 0.00 H new ATOM 542 N LEU A 40 -0.042 4.926 -6.704 1.00 0.00 N ATOM 543 CA LEU A 40 -1.382 5.338 -6.301 1.00 0.00 C ATOM 544 C LEU A 40 -2.230 5.697 -7.518 1.00 0.00 C ATOM 545 O LEU A 40 -1.935 6.655 -8.233 1.00 0.00 O ATOM 546 CB LEU A 40 -1.305 6.532 -5.349 1.00 0.00 C ATOM 547 CG LEU A 40 -0.824 6.228 -3.930 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.564 7.518 -3.167 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.840 5.367 -3.194 1.00 0.00 C ATOM 0 H LEU A 40 0.422 5.570 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.854 4.501 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.639 7.277 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.294 6.986 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 40 0.112 5.673 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.222 7.282 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.201 8.098 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.484 8.100 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.480 5.161 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.792 5.895 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.977 4.427 -3.729 1.00 0.00 H new ATOM 561 N LYS A 41 -3.285 4.924 -7.747 1.00 0.00 N ATOM 562 CA LYS A 41 -4.179 5.161 -8.874 1.00 0.00 C ATOM 563 C LYS A 41 -5.553 5.616 -8.393 1.00 0.00 C ATOM 564 O LYS A 41 -6.232 4.923 -7.635 1.00 0.00 O ATOM 565 CB LYS A 41 -4.316 3.892 -9.718 1.00 0.00 C ATOM 566 CG LYS A 41 -3.038 3.499 -10.438 1.00 0.00 C ATOM 567 CD LYS A 41 -2.135 2.658 -9.551 1.00 0.00 C ATOM 568 CE LYS A 41 -1.352 1.637 -10.362 1.00 0.00 C ATOM 569 NZ LYS A 41 -0.384 2.288 -11.288 1.00 0.00 N ATOM 0 H LYS A 41 -3.543 4.126 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.748 5.953 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.628 3.070 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.107 4.039 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.285 2.941 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.506 4.397 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.442 3.307 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.736 2.145 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.816 0.970 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.044 1.020 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.342 1.753 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.692 3.262 -11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.559 2.304 -10.849 1.00 0.00 H new ATOM 583 N PRO A 42 -5.974 6.807 -8.844 1.00 0.00 N ATOM 584 CA PRO A 42 -7.272 7.379 -8.473 1.00 0.00 C ATOM 585 C PRO A 42 -8.439 6.621 -9.096 1.00 0.00 C ATOM 586 O PRO A 42 -8.309 6.033 -10.170 1.00 0.00 O ATOM 587 CB PRO A 42 -7.203 8.804 -9.029 1.00 0.00 C ATOM 588 CG PRO A 42 -6.226 8.726 -10.151 1.00 0.00 C ATOM 589 CD PRO A 42 -5.217 7.686 -9.750 1.00 0.00 C ATOM 0 HA PRO A 42 -7.445 7.334 -7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.179 9.141 -9.377 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.875 9.511 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.722 8.450 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.747 9.690 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.837 7.141 -10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.357 8.132 -9.251 1.00 0.00 H new ATOM 597 N THR A 43 -9.581 6.638 -8.415 1.00 0.00 N ATOM 598 CA THR A 43 -10.771 5.951 -8.901 1.00 0.00 C ATOM 599 C THR A 43 -11.863 6.945 -9.280 1.00 0.00 C ATOM 600 O THR A 43 -11.691 8.155 -9.136 1.00 0.00 O ATOM 601 CB THR A 43 -11.326 4.974 -7.847 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.812 5.701 -6.713 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.253 3.991 -7.403 1.00 0.00 C ATOM 0 H THR A 43 -9.706 7.120 -7.525 1.00 0.00 H new ATOM 0 HA THR A 43 -10.472 5.388 -9.785 1.00 0.00 H new ATOM 0 HB THR A 43 -12.146 4.414 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.436 5.139 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.668 3.311 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.905 3.419 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.416 4.538 -6.969 1.00 0.00 H new ATOM 611 N ALA A 44 -12.986 6.426 -9.766 1.00 0.00 N ATOM 612 CA ALA A 44 -14.107 7.269 -10.163 1.00 0.00 C ATOM 613 C ALA A 44 -14.818 7.847 -8.945 1.00 0.00 C ATOM 614 O ALA A 44 -15.438 8.907 -9.021 1.00 0.00 O ATOM 615 CB ALA A 44 -15.083 6.478 -11.021 1.00 0.00 C ATOM 0 H ALA A 44 -13.143 5.426 -9.894 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.715 8.100 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.915 7.119 -11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.573 6.119 -11.915 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.461 5.628 -10.453 1.00 0.00 H new ATOM 621 N ASN A 45 -14.726 7.141 -7.822 1.00 0.00 N ATOM 622 CA ASN A 45 -15.363 7.585 -6.587 1.00 0.00 C ATOM 623 C ASN A 45 -14.507 8.630 -5.878 1.00 0.00 C ATOM 624 O ASN A 45 -14.690 8.894 -4.690 1.00 0.00 O ATOM 625 CB ASN A 45 -15.606 6.393 -5.658 1.00 0.00 C ATOM 626 CG ASN A 45 -16.711 5.485 -6.160 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.994 5.436 -7.357 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.342 4.759 -5.244 1.00 0.00 N ATOM 0 H ASN A 45 -14.217 6.261 -7.742 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.320 8.039 -6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.685 5.819 -5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.863 6.757 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.094 4.129 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.074 4.831 -4.262 1.00 0.00 H new ATOM 635 N GLN A 46 -13.573 9.221 -6.616 1.00 0.00 N ATOM 636 CA GLN A 46 -12.689 10.238 -6.058 1.00 0.00 C ATOM 637 C GLN A 46 -11.931 9.696 -4.851 1.00 0.00 C ATOM 638 O GLN A 46 -11.669 10.422 -3.892 1.00 0.00 O ATOM 639 CB GLN A 46 -13.491 11.477 -5.658 1.00 0.00 C ATOM 640 CG GLN A 46 -14.081 12.229 -6.840 1.00 0.00 C ATOM 641 CD GLN A 46 -13.019 12.745 -7.791 1.00 0.00 C ATOM 642 OE1 GLN A 46 -12.651 12.072 -8.754 1.00 0.00 O ATOM 643 NE2 GLN A 46 -12.521 13.947 -7.526 1.00 0.00 N ATOM 0 H GLN A 46 -13.409 9.013 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.965 10.515 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.298 11.177 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.845 12.151 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.760 11.571 -7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.674 13.067 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.855 14.470 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.804 14.347 -8.132 1.00 0.00 H new ATOM 652 N LYS A 47 -11.581 8.416 -4.904 1.00 0.00 N ATOM 653 CA LYS A 47 -10.851 7.775 -3.816 1.00 0.00 C ATOM 654 C LYS A 47 -9.426 7.436 -4.242 1.00 0.00 C ATOM 655 O LYS A 47 -9.036 7.672 -5.386 1.00 0.00 O ATOM 656 CB LYS A 47 -11.577 6.506 -3.366 1.00 0.00 C ATOM 657 CG LYS A 47 -12.985 6.758 -2.857 1.00 0.00 C ATOM 658 CD LYS A 47 -13.523 5.562 -2.089 1.00 0.00 C ATOM 659 CE LYS A 47 -13.157 5.637 -0.615 1.00 0.00 C ATOM 660 NZ LYS A 47 -11.712 5.358 -0.387 1.00 0.00 N ATOM 0 H LYS A 47 -11.791 7.801 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.804 8.474 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.622 5.808 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.996 6.025 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.988 7.637 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.643 6.977 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.607 5.518 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.124 4.643 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.401 6.627 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.758 4.921 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.580 4.972 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.377 4.668 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.169 6.240 -0.482 1.00 0.00 H new ATOM 674 N THR A 48 -8.654 6.877 -3.316 1.00 0.00 N ATOM 675 CA THR A 48 -7.273 6.505 -3.595 1.00 0.00 C ATOM 676 C THR A 48 -6.990 5.072 -3.156 1.00 0.00 C ATOM 677 O THR A 48 -7.175 4.724 -1.991 1.00 0.00 O ATOM 678 CB THR A 48 -6.282 7.450 -2.891 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.561 8.808 -3.250 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.848 7.107 -3.264 1.00 0.00 C ATOM 0 H THR A 48 -8.962 6.672 -2.366 1.00 0.00 H new ATOM 0 HA THR A 48 -7.136 6.586 -4.673 1.00 0.00 H new ATOM 0 HB THR A 48 -6.400 7.327 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.271 9.160 -2.673 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.167 7.788 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.629 6.082 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.719 7.204 -4.342 1.00 0.00 H new ATOM 688 N GLN A 49 -6.541 4.248 -4.097 1.00 0.00 N ATOM 689 CA GLN A 49 -6.233 2.853 -3.805 1.00 0.00 C ATOM 690 C GLN A 49 -4.735 2.659 -3.592 1.00 0.00 C ATOM 691 O GLN A 49 -3.919 3.115 -4.394 1.00 0.00 O ATOM 692 CB GLN A 49 -6.719 1.953 -4.942 1.00 0.00 C ATOM 693 CG GLN A 49 -6.263 0.508 -4.812 1.00 0.00 C ATOM 694 CD GLN A 49 -6.931 -0.408 -5.818 1.00 0.00 C ATOM 695 OE1 GLN A 49 -8.045 -0.143 -6.272 1.00 0.00 O ATOM 696 NE2 GLN A 49 -6.254 -1.493 -6.173 1.00 0.00 N ATOM 0 H GLN A 49 -6.383 4.522 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.751 2.578 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.808 1.980 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.361 2.354 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.182 0.459 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.478 0.153 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.334 -1.674 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.654 -2.146 -6.847 1.00 0.00 H new ATOM 705 N LEU A 50 -4.380 1.980 -2.507 1.00 0.00 N ATOM 706 CA LEU A 50 -2.979 1.726 -2.188 1.00 0.00 C ATOM 707 C LEU A 50 -2.485 0.458 -2.879 1.00 0.00 C ATOM 708 O LEU A 50 -2.959 -0.642 -2.594 1.00 0.00 O ATOM 709 CB LEU A 50 -2.794 1.601 -0.675 1.00 0.00 C ATOM 710 CG LEU A 50 -1.361 1.738 -0.160 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.466 0.677 -0.782 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.821 3.131 -0.450 1.00 0.00 C ATOM 0 H LEU A 50 -5.042 1.595 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.391 2.569 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.407 2.361 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.180 0.631 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.368 1.590 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.550 0.790 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.841 -0.313 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.464 0.792 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.200 3.210 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.829 3.308 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.447 3.874 0.044 1.00 0.00 H new ATOM 724 N LEU A 51 -1.528 0.620 -3.786 1.00 0.00 N ATOM 725 CA LEU A 51 -0.967 -0.512 -4.516 1.00 0.00 C ATOM 726 C LEU A 51 0.558 -0.458 -4.515 1.00 0.00 C ATOM 727 O LEU A 51 1.153 0.600 -4.719 1.00 0.00 O ATOM 728 CB LEU A 51 -1.487 -0.525 -5.954 1.00 0.00 C ATOM 729 CG LEU A 51 -1.230 -1.805 -6.750 1.00 0.00 C ATOM 730 CD1 LEU A 51 -2.170 -2.912 -6.298 1.00 0.00 C ATOM 731 CD2 LEU A 51 -1.384 -1.547 -8.241 1.00 0.00 C ATOM 0 H LEU A 51 -1.124 1.523 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.281 -1.428 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.562 -0.345 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.035 0.309 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.206 -2.127 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.973 -3.815 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.010 -3.116 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.202 -2.599 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.197 -2.469 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.396 -1.200 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.669 -0.787 -8.554 1.00 0.00 H new ATOM 743 N VAL A 52 1.185 -1.608 -4.286 1.00 0.00 N ATOM 744 CA VAL A 52 2.640 -1.693 -4.262 1.00 0.00 C ATOM 745 C VAL A 52 3.144 -2.767 -5.220 1.00 0.00 C ATOM 746 O VAL A 52 2.851 -3.951 -5.050 1.00 0.00 O ATOM 747 CB VAL A 52 3.161 -2.000 -2.845 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.677 -2.126 -2.849 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.710 -0.924 -1.868 1.00 0.00 C ATOM 0 H VAL A 52 0.708 -2.493 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 52 3.019 -0.721 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 52 2.742 -2.953 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.027 -2.343 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.973 -2.935 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.119 -1.191 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.087 -1.156 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.099 0.043 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.621 -0.887 -1.845 1.00 0.00 H new ATOM 759 N ARG A 53 3.903 -2.346 -6.226 1.00 0.00 N ATOM 760 CA ARG A 53 4.447 -3.272 -7.212 1.00 0.00 C ATOM 761 C ARG A 53 5.761 -3.874 -6.725 1.00 0.00 C ATOM 762 O ARG A 53 6.460 -3.281 -5.904 1.00 0.00 O ATOM 763 CB ARG A 53 4.664 -2.558 -8.548 1.00 0.00 C ATOM 764 CG ARG A 53 5.476 -3.367 -9.545 1.00 0.00 C ATOM 765 CD ARG A 53 5.498 -2.704 -10.914 1.00 0.00 C ATOM 766 NE ARG A 53 6.302 -3.456 -11.873 1.00 0.00 N ATOM 767 CZ ARG A 53 6.547 -3.041 -13.111 1.00 0.00 C ATOM 768 NH1 ARG A 53 6.053 -1.887 -13.537 1.00 0.00 N ATOM 769 NH2 ARG A 53 7.288 -3.781 -13.926 1.00 0.00 N ATOM 0 H ARG A 53 4.155 -1.370 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 53 3.728 -4.079 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.694 -2.324 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.169 -1.609 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.496 -3.481 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.055 -4.369 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.479 -2.612 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.896 -1.693 -10.821 1.00 0.00 H new ATOM 0 HE ARG A 53 6.697 -4.348 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.483 -1.315 -12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.243 -1.571 -14.488 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.670 -4.670 -13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.475 -3.461 -14.876 1.00 0.00 H new ATOM 783 N ALA A 54 6.091 -5.055 -7.237 1.00 0.00 N ATOM 784 CA ALA A 54 7.321 -5.737 -6.856 1.00 0.00 C ATOM 785 C ALA A 54 8.427 -5.484 -7.875 1.00 0.00 C ATOM 786 O ALA A 54 8.156 -5.191 -9.039 1.00 0.00 O ATOM 787 CB ALA A 54 7.072 -7.230 -6.704 1.00 0.00 C ATOM 0 H ALA A 54 5.523 -5.560 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 54 7.648 -5.335 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.000 -7.726 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.320 -7.397 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.718 -7.638 -7.651 1.00 0.00 H new ATOM 793 N ASP A 55 9.673 -5.599 -7.429 1.00 0.00 N ATOM 794 CA ASP A 55 10.821 -5.384 -8.303 1.00 0.00 C ATOM 795 C ASP A 55 10.916 -6.483 -9.356 1.00 0.00 C ATOM 796 O ASP A 55 11.354 -6.243 -10.482 1.00 0.00 O ATOM 797 CB ASP A 55 12.111 -5.333 -7.483 1.00 0.00 C ATOM 798 CG ASP A 55 12.453 -3.928 -7.028 1.00 0.00 C ATOM 799 OD1 ASP A 55 11.966 -2.965 -7.657 1.00 0.00 O ATOM 800 OD2 ASP A 55 13.207 -3.791 -6.042 1.00 0.00 O ATOM 0 H ASP A 55 9.914 -5.840 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 55 10.685 -4.430 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.010 -5.979 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.933 -5.729 -8.079 1.00 0.00 H new ATOM 859 N ASN A 60 4.849 -8.134 -10.184 1.00 0.00 N ATOM 860 CA ASN A 60 4.256 -8.917 -9.105 1.00 0.00 C ATOM 861 C ASN A 60 3.620 -8.006 -8.060 1.00 0.00 C ATOM 862 O ASN A 60 4.192 -6.983 -7.682 1.00 0.00 O ATOM 863 CB ASN A 60 5.316 -9.803 -8.449 1.00 0.00 C ATOM 864 CG ASN A 60 4.722 -10.755 -7.428 1.00 0.00 C ATOM 865 OD1 ASN A 60 3.629 -11.288 -7.622 1.00 0.00 O ATOM 866 ND2 ASN A 60 5.442 -10.972 -6.333 1.00 0.00 N ATOM 0 HA ASN A 60 3.478 -9.549 -9.532 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.833 -10.376 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.062 -9.174 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.094 -11.602 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.343 -10.508 -6.215 1.00 0.00 H new ATOM 873 N ILE A 61 2.434 -8.386 -7.595 1.00 0.00 N ATOM 874 CA ILE A 61 1.721 -7.605 -6.592 1.00 0.00 C ATOM 875 C ILE A 61 2.161 -7.988 -5.183 1.00 0.00 C ATOM 876 O ILE A 61 2.177 -9.166 -4.824 1.00 0.00 O ATOM 877 CB ILE A 61 0.197 -7.792 -6.711 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.284 -7.367 -8.100 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.520 -6.998 -5.630 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.667 -7.875 -8.442 1.00 0.00 C ATOM 0 H ILE A 61 1.947 -9.230 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 61 1.965 -6.558 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.037 -8.848 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.281 -6.279 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.422 -7.729 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.596 -7.140 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.195 -7.344 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.283 -5.940 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.943 -7.536 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.671 -8.965 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.385 -7.491 -7.717 1.00 0.00 H new ATOM 892 N LEU A 62 2.515 -6.985 -4.387 1.00 0.00 N ATOM 893 CA LEU A 62 2.953 -7.216 -3.015 1.00 0.00 C ATOM 894 C LEU A 62 1.869 -6.812 -2.021 1.00 0.00 C ATOM 895 O LEU A 62 1.667 -7.473 -1.002 1.00 0.00 O ATOM 896 CB LEU A 62 4.238 -6.436 -2.730 1.00 0.00 C ATOM 897 CG LEU A 62 5.469 -6.853 -3.536 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.570 -5.813 -3.405 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.965 -8.218 -3.083 1.00 0.00 C ATOM 0 H LEU A 62 2.507 -6.004 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 62 3.148 -8.282 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.047 -5.379 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.472 -6.535 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 62 5.186 -6.922 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.438 -6.127 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.211 -4.854 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.852 -5.711 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.841 -8.499 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.231 -8.176 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.178 -8.958 -3.230 1.00 0.00 H new ATOM 911 N LEU A 63 1.171 -5.723 -2.326 1.00 0.00 N ATOM 912 CA LEU A 63 0.104 -5.231 -1.461 1.00 0.00 C ATOM 913 C LEU A 63 -0.916 -4.425 -2.260 1.00 0.00 C ATOM 914 O LEU A 63 -0.593 -3.377 -2.818 1.00 0.00 O ATOM 915 CB LEU A 63 0.687 -4.369 -0.340 1.00 0.00 C ATOM 916 CG LEU A 63 -0.326 -3.728 0.609 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.075 -4.796 1.392 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.368 -2.759 1.555 1.00 0.00 C ATOM 0 H LEU A 63 1.325 -5.164 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.402 -6.091 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.367 -4.985 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.284 -3.577 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.049 -3.169 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.791 -4.321 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.605 -5.450 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.366 -5.383 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.368 -2.312 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.113 -3.295 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.857 -1.974 0.978 1.00 0.00 H new ATOM 930 N ASN A 64 -2.148 -4.921 -2.307 1.00 0.00 N ATOM 931 CA ASN A 64 -3.216 -4.246 -3.035 1.00 0.00 C ATOM 932 C ASN A 64 -4.445 -4.061 -2.151 1.00 0.00 C ATOM 933 O ASN A 64 -5.184 -5.011 -1.889 1.00 0.00 O ATOM 934 CB ASN A 64 -3.589 -5.042 -4.287 1.00 0.00 C ATOM 935 CG ASN A 64 -4.770 -4.440 -5.024 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.421 -3.519 -4.529 1.00 0.00 O ATOM 937 ND2 ASN A 64 -5.052 -4.958 -6.214 1.00 0.00 N ATOM 0 H ASN A 64 -2.431 -5.788 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.854 -3.262 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.730 -5.085 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.825 -6.068 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.835 -4.593 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.486 -5.721 -6.585 1.00 0.00 H new ATOM 944 N VAL A 65 -4.659 -2.832 -1.693 1.00 0.00 N ATOM 945 CA VAL A 65 -5.800 -2.522 -0.839 1.00 0.00 C ATOM 946 C VAL A 65 -6.184 -1.050 -0.949 1.00 0.00 C ATOM 947 O VAL A 65 -5.331 -0.189 -1.164 1.00 0.00 O ATOM 948 CB VAL A 65 -5.504 -2.855 0.635 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.304 -4.352 0.814 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.287 -2.083 1.122 1.00 0.00 C ATOM 0 H VAL A 65 -4.057 -2.034 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.631 -3.138 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.361 -2.553 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.096 -4.569 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.207 -4.879 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.465 -4.683 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.093 -2.331 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.420 -2.351 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.475 -1.013 1.032 1.00 0.00 H new ATOM 960 N LEU A 66 -7.474 -0.769 -0.800 1.00 0.00 N ATOM 961 CA LEU A 66 -7.973 0.599 -0.882 1.00 0.00 C ATOM 962 C LEU A 66 -7.914 1.283 0.481 1.00 0.00 C ATOM 963 O LEU A 66 -8.084 0.639 1.517 1.00 0.00 O ATOM 964 CB LEU A 66 -9.409 0.609 -1.408 1.00 0.00 C ATOM 965 CG LEU A 66 -10.128 1.958 -1.373 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.756 2.794 -2.587 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.635 1.757 -1.303 1.00 0.00 C ATOM 0 H LEU A 66 -8.193 -1.470 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.336 1.151 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.400 0.252 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.992 -0.106 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.810 2.494 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.278 3.750 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.680 2.968 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.043 2.264 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.131 2.727 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.969 1.201 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.886 1.199 -0.401 1.00 0.00 H new ATOM 979 N ILE A 67 -7.675 2.590 0.472 1.00 0.00 N ATOM 980 CA ILE A 67 -7.598 3.360 1.707 1.00 0.00 C ATOM 981 C ILE A 67 -8.949 3.401 2.415 1.00 0.00 C ATOM 982 O ILE A 67 -9.910 4.002 1.936 1.00 0.00 O ATOM 983 CB ILE A 67 -7.126 4.802 1.442 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.708 4.800 0.869 1.00 0.00 C ATOM 985 CG2 ILE A 67 -7.185 5.622 2.722 1.00 0.00 C ATOM 986 CD1 ILE A 67 -5.331 6.096 0.185 1.00 0.00 C ATOM 0 H ILE A 67 -7.531 3.138 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.871 2.860 2.346 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.793 5.258 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.000 4.604 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.614 3.981 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.848 6.639 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.210 5.646 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.539 5.169 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.313 6.023 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.016 6.284 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.392 6.916 0.900 1.00 0.00 H new ATOM 998 N PRO A 68 -9.024 2.748 3.584 1.00 0.00 N ATOM 999 CA PRO A 68 -10.251 2.696 4.384 1.00 0.00 C ATOM 1000 C PRO A 68 -10.595 4.046 5.004 1.00 0.00 C ATOM 1001 O PRO A 68 -9.803 4.988 4.980 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.919 1.675 5.475 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.435 1.716 5.595 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.917 2.009 4.214 1.00 0.00 C ATOM 0 HA PRO A 68 -11.120 2.430 3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.400 1.934 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.267 0.678 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.121 2.485 6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.047 0.767 5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.004 2.603 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.684 1.094 3.670 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.805 4.144 5.575 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.281 5.375 6.214 1.00 0.00 C ATOM 1014 C PRO A 69 -11.537 5.681 7.509 1.00 0.00 C ATOM 1015 O PRO A 69 -11.217 6.834 7.794 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.755 5.078 6.502 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.830 3.593 6.601 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.801 3.062 5.642 1.00 0.00 C ATOM 0 HA PRO A 69 -12.123 6.249 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.081 5.553 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.398 5.455 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.625 3.259 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.826 3.234 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.360 2.132 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.234 2.853 4.664 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.263 4.641 8.290 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.556 4.799 9.555 1.00 0.00 C ATOM 1028 C ASN A 70 -9.287 3.953 9.579 1.00 0.00 C ATOM 1029 O ASN A 70 -9.336 2.738 9.391 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.464 4.410 10.723 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.128 5.165 11.994 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -10.415 6.169 11.963 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -11.640 4.685 13.121 1.00 0.00 N ATOM 0 H ASN A 70 -11.520 3.679 8.068 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.274 5.847 9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.502 4.604 10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.377 3.339 10.906 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.448 5.151 14.008 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.226 3.850 13.100 1.00 0.00 H new ATOM 1040 N MET A 71 -8.152 4.604 9.813 1.00 0.00 N ATOM 1041 CA MET A 71 -6.870 3.911 9.863 1.00 0.00 C ATOM 1042 C MET A 71 -5.868 4.682 10.716 1.00 0.00 C ATOM 1043 O MET A 71 -5.565 5.847 10.459 1.00 0.00 O ATOM 1044 CB MET A 71 -6.314 3.718 8.451 1.00 0.00 C ATOM 1045 CG MET A 71 -5.190 2.698 8.374 1.00 0.00 C ATOM 1046 SD MET A 71 -4.094 2.976 6.970 1.00 0.00 S ATOM 1047 CE MET A 71 -3.229 4.451 7.503 1.00 0.00 C ATOM 0 H MET A 71 -8.094 5.610 9.971 1.00 0.00 H new ATOM 0 HA MET A 71 -7.032 2.934 10.318 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.123 3.405 7.791 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.950 4.676 8.079 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.609 2.733 9.296 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.617 1.697 8.304 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.291 4.540 6.955 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.848 5.327 7.308 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.021 4.385 8.571 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.342 4.019 11.757 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.366 4.624 12.669 1.00 0.00 C ATOM 1059 C PRO A 72 -3.013 4.851 12.002 1.00 0.00 C ATOM 1060 O PRO A 72 -2.451 3.941 11.391 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.242 3.592 13.792 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.619 2.297 13.159 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.658 2.629 12.123 1.00 0.00 C ATOM 0 HA PRO A 72 -4.684 5.609 13.011 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.227 3.558 14.189 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.902 3.832 14.625 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.752 1.819 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.014 1.601 13.899 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.595 1.963 11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.668 2.538 12.523 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.495 6.068 12.125 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.207 6.414 11.533 1.00 0.00 C ATOM 1073 C CYS A 73 -0.167 6.683 12.616 1.00 0.00 C ATOM 1074 O CYS A 73 -0.427 7.410 13.575 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.350 7.640 10.630 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.987 9.108 11.473 1.00 0.00 S ATOM 0 H CYS A 73 -2.946 6.831 12.629 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.871 5.568 10.933 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.377 7.875 10.198 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.014 7.393 9.802 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.636 9.076 12.724 1.00 0.00 H new ATOM 1082 N THR A 74 1.012 6.091 12.456 1.00 0.00 N ATOM 1083 CA THR A 74 2.091 6.264 13.421 1.00 0.00 C ATOM 1084 C THR A 74 3.435 6.423 12.719 1.00 0.00 C ATOM 1085 O THR A 74 4.016 5.448 12.242 1.00 0.00 O ATOM 1086 CB THR A 74 2.171 5.074 14.395 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.827 3.861 13.715 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.237 5.280 15.578 1.00 0.00 C ATOM 0 H THR A 74 1.244 5.487 11.667 1.00 0.00 H new ATOM 0 HA THR A 74 1.868 7.170 13.985 1.00 0.00 H new ATOM 0 HB THR A 74 3.193 5.005 14.767 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.882 3.109 14.340 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.311 4.427 16.252 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.519 6.189 16.110 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.212 5.372 15.220 1.00 0.00 H new ATOM 1096 N ARG A 75 3.925 7.657 12.660 1.00 0.00 N ATOM 1097 CA ARG A 75 5.201 7.943 12.016 1.00 0.00 C ATOM 1098 C ARG A 75 6.365 7.625 12.951 1.00 0.00 C ATOM 1099 O ARG A 75 6.561 8.293 13.967 1.00 0.00 O ATOM 1100 CB ARG A 75 5.263 9.410 11.588 1.00 0.00 C ATOM 1101 CG ARG A 75 4.752 9.655 10.178 1.00 0.00 C ATOM 1102 CD ARG A 75 5.789 9.272 9.134 1.00 0.00 C ATOM 1103 NE ARG A 75 6.692 10.378 8.828 1.00 0.00 N ATOM 1104 CZ ARG A 75 7.861 10.561 9.433 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.266 9.716 10.371 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.627 11.592 9.099 1.00 0.00 N ATOM 0 H ARG A 75 3.457 8.475 13.051 1.00 0.00 H new ATOM 0 HA ARG A 75 5.284 7.310 11.132 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.678 10.008 12.286 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.294 9.757 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.841 9.079 10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.490 10.707 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.367 8.421 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.284 8.953 8.222 1.00 0.00 H new ATOM 0 HE ARG A 75 6.410 11.046 8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.680 8.923 10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.164 9.859 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.318 12.244 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.524 11.732 9.563 1.00 0.00 H new ATOM 1120 N THR A 76 7.135 6.599 12.601 1.00 0.00 N ATOM 1121 CA THR A 76 8.277 6.191 13.409 1.00 0.00 C ATOM 1122 C THR A 76 9.591 6.549 12.723 1.00 0.00 C ATOM 1123 O THR A 76 9.662 6.628 11.498 1.00 0.00 O ATOM 1124 CB THR A 76 8.255 4.676 13.689 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.329 4.325 14.569 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.372 3.884 12.396 1.00 0.00 C ATOM 0 H THR A 76 6.988 6.036 11.763 1.00 0.00 H new ATOM 0 HA THR A 76 8.204 6.729 14.354 1.00 0.00 H new ATOM 0 HB THR A 76 7.304 4.430 14.161 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.307 3.361 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.354 2.817 12.620 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.537 4.131 11.741 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.309 4.135 11.899 1.00 0.00 H new ATOM 1134 N GLY A 77 10.631 6.766 13.523 1.00 0.00 N ATOM 1135 CA GLY A 77 11.929 7.113 12.975 1.00 0.00 C ATOM 1136 C GLY A 77 11.871 8.334 12.078 1.00 0.00 C ATOM 1137 O GLY A 77 11.019 9.205 12.256 1.00 0.00 O ATOM 0 H GLY A 77 10.597 6.708 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.627 7.298 13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.319 6.267 12.408 1.00 0.00 H new ATOM 1141 N LYS A 78 12.782 8.400 11.113 1.00 0.00 N ATOM 1142 CA LYS A 78 12.833 9.523 10.184 1.00 0.00 C ATOM 1143 C LYS A 78 12.407 9.092 8.784 1.00 0.00 C ATOM 1144 O LYS A 78 11.773 9.854 8.056 1.00 0.00 O ATOM 1145 CB LYS A 78 14.245 10.112 10.141 1.00 0.00 C ATOM 1146 CG LYS A 78 15.307 9.114 9.714 1.00 0.00 C ATOM 1147 CD LYS A 78 16.661 9.781 9.539 1.00 0.00 C ATOM 1148 CE LYS A 78 17.754 8.760 9.261 1.00 0.00 C ATOM 1149 NZ LYS A 78 18.848 9.331 8.428 1.00 0.00 N ATOM 0 H LYS A 78 13.495 7.689 10.954 1.00 0.00 H new ATOM 0 HA LYS A 78 12.138 10.285 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.256 10.958 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.498 10.500 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.384 8.322 10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.009 8.642 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.612 10.496 8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.909 10.345 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.165 8.402 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.324 7.897 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.573 8.604 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.461 9.649 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.276 10.139 8.923 1.00 0.00 H new ATOM 1163 N ASN A 79 12.760 7.864 8.416 1.00 0.00 N ATOM 1164 CA ASN A 79 12.413 7.332 7.103 1.00 0.00 C ATOM 1165 C ASN A 79 11.510 6.109 7.234 1.00 0.00 C ATOM 1166 O ASN A 79 11.371 5.325 6.296 1.00 0.00 O ATOM 1167 CB ASN A 79 13.680 6.963 6.328 1.00 0.00 C ATOM 1168 CG ASN A 79 14.363 5.731 6.889 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.520 5.592 8.102 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.772 4.828 6.005 1.00 0.00 N ATOM 0 H ASN A 79 13.285 7.220 9.007 1.00 0.00 H new ATOM 0 HA ASN A 79 11.873 8.105 6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.425 6.789 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.375 7.803 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.237 3.978 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.621 4.985 5.009 1.00 0.00 H new ATOM 1177 N ASN A 80 10.898 5.954 8.403 1.00 0.00 N ATOM 1178 CA ASN A 80 10.008 4.827 8.657 1.00 0.00 C ATOM 1179 C ASN A 80 8.568 5.299 8.831 1.00 0.00 C ATOM 1180 O ASN A 80 8.317 6.367 9.391 1.00 0.00 O ATOM 1181 CB ASN A 80 10.461 4.063 9.903 1.00 0.00 C ATOM 1182 CG ASN A 80 11.911 3.628 9.820 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.207 2.455 9.591 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.824 4.574 10.007 1.00 0.00 N ATOM 0 H ASN A 80 11.002 6.595 9.190 1.00 0.00 H new ATOM 0 HA ASN A 80 10.051 4.161 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.323 4.693 10.782 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.829 3.185 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.816 4.341 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.533 5.534 10.194 1.00 0.00 H new ATOM 1191 N VAL A 81 7.625 4.497 8.348 1.00 0.00 N ATOM 1192 CA VAL A 81 6.210 4.831 8.452 1.00 0.00 C ATOM 1193 C VAL A 81 5.384 3.611 8.843 1.00 0.00 C ATOM 1194 O VAL A 81 5.248 2.665 8.066 1.00 0.00 O ATOM 1195 CB VAL A 81 5.669 5.400 7.127 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.198 5.762 7.261 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.486 6.608 6.693 1.00 0.00 C ATOM 0 H VAL A 81 7.816 3.611 7.880 1.00 0.00 H new ATOM 0 HA VAL A 81 6.121 5.590 9.229 1.00 0.00 H new ATOM 0 HB VAL A 81 5.761 4.632 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.834 6.162 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.626 4.871 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.078 6.512 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.090 6.997 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.428 7.381 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.526 6.313 6.553 1.00 0.00 H new ATOM 1207 N LEU A 82 4.833 3.639 10.052 1.00 0.00 N ATOM 1208 CA LEU A 82 4.019 2.535 10.547 1.00 0.00 C ATOM 1209 C LEU A 82 2.539 2.785 10.277 1.00 0.00 C ATOM 1210 O LEU A 82 2.006 3.842 10.616 1.00 0.00 O ATOM 1211 CB LEU A 82 4.249 2.339 12.047 1.00 0.00 C ATOM 1212 CG LEU A 82 4.077 0.913 12.572 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.063 -0.027 11.895 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.252 0.876 14.083 1.00 0.00 C ATOM 0 H LEU A 82 4.935 4.414 10.707 1.00 0.00 H new ATOM 0 HA LEU A 82 4.318 1.630 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.258 2.673 12.286 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.561 2.989 12.588 1.00 0.00 H new ATOM 0 HG LEU A 82 3.067 0.578 12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.926 -1.037 12.281 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.889 -0.023 10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.081 0.305 12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.126 -0.147 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.250 1.230 14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.506 1.518 14.552 1.00 0.00 H new ATOM 1226 N ILE A 83 1.881 1.807 9.665 1.00 0.00 N ATOM 1227 CA ILE A 83 0.462 1.920 9.352 1.00 0.00 C ATOM 1228 C ILE A 83 -0.241 0.574 9.489 1.00 0.00 C ATOM 1229 O ILE A 83 0.287 -0.459 9.077 1.00 0.00 O ATOM 1230 CB ILE A 83 0.241 2.459 7.927 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.931 1.555 6.903 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.757 3.886 7.814 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.454 1.774 5.485 1.00 0.00 C ATOM 0 H ILE A 83 2.308 0.927 9.376 1.00 0.00 H new ATOM 0 HA ILE A 83 0.037 2.623 10.068 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.829 2.462 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.007 1.726 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.762 0.514 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.594 4.253 6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.224 4.522 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.823 3.906 8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.986 1.100 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.616 1.575 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.648 2.806 5.191 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.437 0.592 10.069 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.214 -0.627 10.258 1.00 0.00 C ATOM 1247 C VAL A 84 -3.218 -0.818 9.127 1.00 0.00 C ATOM 1248 O VAL A 84 -4.164 -0.042 8.984 1.00 0.00 O ATOM 1249 CB VAL A 84 -2.968 -0.610 11.601 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.722 -1.914 11.807 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.003 -0.355 12.749 1.00 0.00 C ATOM 0 H VAL A 84 -1.889 1.438 10.416 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.507 -1.457 10.258 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.695 0.202 11.580 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.248 -1.883 12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.442 -2.050 11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.017 -2.746 11.808 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.552 -0.346 13.691 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.251 -1.144 12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.513 0.608 12.605 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.008 -1.857 8.326 1.00 0.00 N ATOM 1262 CA CYS A 85 -3.895 -2.151 7.206 1.00 0.00 C ATOM 1263 C CYS A 85 -3.959 -3.652 6.943 1.00 0.00 C ATOM 1264 O CYS A 85 -3.019 -4.387 7.248 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.422 -1.421 5.948 1.00 0.00 C ATOM 1266 SG CYS A 85 -1.771 -1.903 5.390 1.00 0.00 S ATOM 0 H CYS A 85 -2.231 -2.510 8.431 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.895 -1.802 7.465 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.134 -1.607 5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.430 -0.348 6.139 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.462 -1.233 4.320 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.074 -4.101 6.377 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.262 -5.515 6.073 1.00 0.00 C ATOM 1274 C VAL A 86 -4.460 -5.924 4.843 1.00 0.00 C ATOM 1275 O VAL A 86 -4.668 -5.421 3.739 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.748 -5.846 5.837 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -6.919 -7.318 5.493 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.576 -5.475 7.058 1.00 0.00 C ATOM 0 H VAL A 86 -5.862 -3.506 6.119 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.906 -6.075 6.938 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.104 -5.257 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.975 -7.533 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.358 -7.548 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.547 -7.929 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.623 -5.715 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.221 -6.036 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.478 -4.407 7.253 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.519 -6.861 5.035 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.666 -7.360 3.952 1.00 0.00 C ATOM 1290 C PRO A 87 -3.441 -8.205 2.947 1.00 0.00 C ATOM 1291 O PRO A 87 -4.115 -9.165 3.317 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.629 -8.217 4.683 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.306 -8.640 5.941 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.216 -7.505 6.324 1.00 0.00 C ATOM 0 HA PRO A 87 -2.233 -6.548 3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.334 -9.078 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.723 -7.649 4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.872 -9.559 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.578 -8.839 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.120 -7.863 6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.730 -6.815 7.013 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.340 -7.841 1.673 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.032 -8.566 0.613 1.00 0.00 C ATOM 1304 C ASN A 88 -3.056 -9.003 -0.475 1.00 0.00 C ATOM 1305 O ASN A 88 -2.440 -8.183 -1.156 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.133 -7.694 0.006 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.350 -7.590 0.905 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.164 -7.017 2.088 1.00 0.00 O flip ATOM 1309 ND2 ASN A 88 -7.445 -8.018 0.539 1.00 0.00 N flip ATOM 0 H ASN A 88 -2.786 -7.048 1.349 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.482 -9.457 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.739 -6.696 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.431 -8.108 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.542 -8.451 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.255 -7.939 1.154 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.911 -10.325 -0.643 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.639 -11.310 0.163 1.00 0.00 C ATOM 1318 C PRO A 89 -3.160 -11.343 1.610 1.00 0.00 C ATOM 1319 O PRO A 89 -2.092 -10.833 1.948 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.328 -12.638 -0.534 1.00 0.00 C ATOM 1321 CG PRO A 89 -2.027 -12.408 -1.223 1.00 0.00 C ATOM 1322 CD PRO A 89 -2.025 -10.961 -1.632 1.00 0.00 C ATOM 0 HA PRO A 89 -4.703 -11.082 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.257 -13.455 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.110 -12.905 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.190 -12.627 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.925 -13.059 -2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.021 -10.537 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.398 -10.830 -2.648 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.967 -11.958 2.487 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.646 -12.073 3.913 1.00 0.00 C ATOM 1332 C PRO A 90 -2.481 -13.023 4.170 1.00 0.00 C ATOM 1333 O PRO A 90 -2.455 -14.141 3.656 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.935 -12.630 4.523 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.603 -13.350 3.404 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.256 -12.589 2.155 1.00 0.00 C ATOM 0 HA PRO A 90 -3.334 -11.119 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.721 -13.302 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.566 -11.831 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.256 -14.381 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.682 -13.385 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.170 -13.250 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.016 -11.847 1.913 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.520 -12.570 4.967 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.353 -13.381 5.293 1.00 0.00 C ATOM 1346 C ILE A 91 -0.729 -14.543 6.206 1.00 0.00 C ATOM 1347 O ILE A 91 -0.282 -15.673 6.006 1.00 0.00 O ATOM 1348 CB ILE A 91 0.744 -12.542 5.974 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.172 -11.388 5.065 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.937 -13.416 6.327 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.775 -10.221 5.814 1.00 0.00 C ATOM 0 H ILE A 91 -1.526 -11.646 5.399 1.00 0.00 H new ATOM 0 HA ILE A 91 0.032 -13.772 4.351 1.00 0.00 H new ATOM 0 HB ILE A 91 0.341 -12.123 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.897 -11.757 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.306 -11.040 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.704 -12.808 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.620 -14.206 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.343 -13.861 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.055 -9.440 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.045 -9.826 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.660 -10.555 6.356 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.554 -14.258 7.208 1.00 0.00 N ATOM 1364 CA ASP A 92 -1.993 -15.280 8.151 1.00 0.00 C ATOM 1365 C ASP A 92 -3.419 -15.728 7.842 1.00 0.00 C ATOM 1366 O ASP A 92 -4.239 -14.939 7.375 1.00 0.00 O ATOM 1367 CB ASP A 92 -1.911 -14.752 9.583 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.681 -13.896 9.815 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.560 -12.841 9.158 1.00 0.00 O ATOM 1370 OD2 ASP A 92 0.161 -14.282 10.653 1.00 0.00 O ATOM 0 H ASP A 92 -1.932 -13.328 7.388 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.331 -16.140 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.804 -14.167 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.901 -15.592 10.277 1.00 0.00 H new ATOM 1375 N GLU A 93 -3.705 -16.999 8.105 1.00 0.00 N ATOM 1376 CA GLU A 93 -5.030 -17.551 7.853 1.00 0.00 C ATOM 1377 C GLU A 93 -5.881 -17.523 9.119 1.00 0.00 C ATOM 1378 O GLU A 93 -7.064 -17.182 9.079 1.00 0.00 O ATOM 1379 CB GLU A 93 -4.919 -18.986 7.332 1.00 0.00 C ATOM 1380 CG GLU A 93 -4.285 -19.086 5.955 1.00 0.00 C ATOM 1381 CD GLU A 93 -4.293 -20.502 5.411 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -3.556 -21.350 5.956 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -5.034 -20.761 4.441 1.00 0.00 O ATOM 0 H GLU A 93 -3.037 -17.665 8.492 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.514 -16.934 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.332 -19.575 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.914 -19.429 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.819 -18.433 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.258 -18.726 6.005 1.00 0.00 H new ATOM 1390 N LYS A 94 -5.271 -17.884 10.243 1.00 0.00 N ATOM 1391 CA LYS A 94 -5.970 -17.900 11.523 1.00 0.00 C ATOM 1392 C LYS A 94 -6.904 -16.700 11.647 1.00 0.00 C ATOM 1393 O LYS A 94 -8.038 -16.830 12.106 1.00 0.00 O ATOM 1394 CB LYS A 94 -4.965 -17.899 12.676 1.00 0.00 C ATOM 1395 CG LYS A 94 -4.327 -19.254 12.928 1.00 0.00 C ATOM 1396 CD LYS A 94 -3.099 -19.463 12.059 1.00 0.00 C ATOM 1397 CE LYS A 94 -2.308 -20.686 12.496 1.00 0.00 C ATOM 1398 NZ LYS A 94 -3.070 -21.947 12.277 1.00 0.00 N ATOM 0 H LYS A 94 -4.293 -18.170 10.294 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.568 -18.810 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.181 -17.172 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.468 -17.569 13.585 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.048 -19.336 13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.053 -20.042 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.404 -19.578 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.462 -18.580 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.370 -20.728 11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.052 -20.595 13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.490 -22.759 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.946 -21.925 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.307 -22.039 11.269 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.420 -15.533 11.235 1.00 0.00 N ATOM 1413 CA ASN A 95 -7.212 -14.311 11.300 1.00 0.00 C ATOM 1414 C ASN A 95 -6.758 -13.311 10.240 1.00 0.00 C ATOM 1415 O ASN A 95 -5.741 -12.638 10.403 1.00 0.00 O ATOM 1416 CB ASN A 95 -7.104 -13.682 12.690 1.00 0.00 C ATOM 1417 CG ASN A 95 -5.673 -13.618 13.186 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.369 -14.394 14.220 1.00 0.00 O flip ATOM 1419 ND2 ASN A 95 -4.849 -12.879 12.646 1.00 0.00 N flip ATOM 0 H ASN A 95 -5.483 -15.408 10.852 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.253 -14.571 11.106 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.522 -12.676 12.664 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.704 -14.258 13.394 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.126 -12.299 11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.890 -12.847 12.991 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.520 -13.220 9.155 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.198 -12.301 8.070 1.00 0.00 C ATOM 1428 C ALA A 96 -7.943 -10.981 8.230 1.00 0.00 C ATOM 1429 O ALA A 96 -7.376 -9.907 8.025 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.526 -12.935 6.727 1.00 0.00 C ATOM 0 H ALA A 96 -8.365 -13.771 9.004 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.129 -12.092 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.281 -12.238 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.944 -13.848 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.589 -13.174 6.687 1.00 0.00 H new ATOM 1436 N THR A 97 -9.218 -11.066 8.598 1.00 0.00 N ATOM 1437 CA THR A 97 -10.041 -9.878 8.783 1.00 0.00 C ATOM 1438 C THR A 97 -9.293 -8.809 9.572 1.00 0.00 C ATOM 1439 O THR A 97 -9.463 -7.614 9.331 1.00 0.00 O ATOM 1440 CB THR A 97 -11.355 -10.213 9.513 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.130 -9.023 9.698 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.076 -10.857 10.863 1.00 0.00 C ATOM 0 H THR A 97 -9.703 -11.946 8.774 1.00 0.00 H new ATOM 0 HA THR A 97 -10.274 -9.496 7.789 1.00 0.00 H new ATOM 0 HB THR A 97 -11.915 -10.919 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.965 -9.245 10.161 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.019 -11.084 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.511 -11.778 10.717 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.497 -10.171 11.481 1.00 0.00 H new ATOM 1450 N MET A 98 -8.465 -9.246 10.515 1.00 0.00 N ATOM 1451 CA MET A 98 -7.690 -8.325 11.338 1.00 0.00 C ATOM 1452 C MET A 98 -6.416 -7.893 10.618 1.00 0.00 C ATOM 1453 O MET A 98 -5.656 -8.713 10.104 1.00 0.00 O ATOM 1454 CB MET A 98 -7.336 -8.978 12.676 1.00 0.00 C ATOM 1455 CG MET A 98 -6.907 -7.983 13.743 1.00 0.00 C ATOM 1456 SD MET A 98 -6.745 -8.738 15.372 1.00 0.00 S ATOM 1457 CE MET A 98 -6.576 -7.284 16.404 1.00 0.00 C ATOM 0 H MET A 98 -8.313 -10.232 10.728 1.00 0.00 H new ATOM 0 HA MET A 98 -8.300 -7.441 11.523 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.199 -9.537 13.038 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.533 -9.698 12.518 1.00 0.00 H new ATOM 0 HG2 MET A 98 -5.954 -7.538 13.457 1.00 0.00 H new ATOM 0 HG3 MET A 98 -7.635 -7.173 13.793 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.466 -7.588 17.445 1.00 0.00 H new ATOM 0 HE2 MET A 98 -5.696 -6.719 16.096 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.463 -6.659 16.300 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.177 -6.574 10.578 1.00 0.00 N ATOM 1468 CA PRO A 99 -4.997 -6.003 9.923 1.00 0.00 C ATOM 1469 C PRO A 99 -3.709 -6.312 10.678 1.00 0.00 C ATOM 1470 O PRO A 99 -3.738 -6.671 11.856 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.276 -4.498 9.937 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.199 -4.295 11.089 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.041 -5.538 11.169 1.00 0.00 C ATOM 0 HA PRO A 99 -4.847 -6.413 8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.356 -3.926 10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.731 -4.171 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.642 -4.141 12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.820 -3.412 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.308 -5.777 12.198 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.973 -5.428 10.615 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.578 -6.171 9.994 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.279 -6.434 10.601 1.00 0.00 C ATOM 1483 C VAL A 100 -0.375 -5.209 10.518 1.00 0.00 C ATOM 1484 O VAL A 100 -0.575 -4.331 9.678 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.574 -7.625 9.924 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.484 -8.844 9.904 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.136 -7.254 8.515 1.00 0.00 C ATOM 0 H VAL A 100 -2.535 -5.876 9.019 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.462 -6.676 11.648 1.00 0.00 H new ATOM 0 HB VAL A 100 0.315 -7.875 10.503 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.969 -9.675 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.743 -9.121 10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.393 -8.610 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.360 -8.107 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.009 -6.977 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.555 -6.412 8.559 1.00 0.00 H new ATOM 1497 N THR A 101 0.622 -5.156 11.396 1.00 0.00 N ATOM 1498 CA THR A 101 1.557 -4.038 11.423 1.00 0.00 C ATOM 1499 C THR A 101 2.495 -4.077 10.223 1.00 0.00 C ATOM 1500 O THR A 101 3.023 -5.131 9.870 1.00 0.00 O ATOM 1501 CB THR A 101 2.395 -4.038 12.716 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.535 -3.951 13.857 1.00 0.00 O ATOM 1503 CG2 THR A 101 3.377 -2.876 12.724 1.00 0.00 C ATOM 0 H THR A 101 0.803 -5.874 12.098 1.00 0.00 H new ATOM 0 HA THR A 101 0.961 -3.126 11.385 1.00 0.00 H new ATOM 0 HB THR A 101 2.959 -4.970 12.758 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.075 -3.953 14.675 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.957 -2.897 13.646 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.049 -2.962 11.870 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.829 -1.936 12.661 1.00 0.00 H new ATOM 1511 N MET A 102 2.699 -2.921 9.600 1.00 0.00 N ATOM 1512 CA MET A 102 3.577 -2.823 8.439 1.00 0.00 C ATOM 1513 C MET A 102 4.530 -1.640 8.576 1.00 0.00 C ATOM 1514 O MET A 102 4.129 -0.552 8.991 1.00 0.00 O ATOM 1515 CB MET A 102 2.751 -2.682 7.159 1.00 0.00 C ATOM 1516 CG MET A 102 2.128 -3.988 6.691 1.00 0.00 C ATOM 1517 SD MET A 102 3.258 -4.979 5.695 1.00 0.00 S ATOM 1518 CE MET A 102 2.103 -5.854 4.643 1.00 0.00 C ATOM 0 H MET A 102 2.269 -2.039 9.879 1.00 0.00 H new ATOM 0 HA MET A 102 4.167 -3.738 8.383 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.960 -1.951 7.325 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.388 -2.288 6.367 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.812 -4.567 7.559 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.232 -3.771 6.109 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.652 -6.510 3.967 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.429 -6.449 5.259 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.525 -5.136 4.061 1.00 0.00 H new ATOM 1528 N LEU A 103 5.792 -1.859 8.225 1.00 0.00 N ATOM 1529 CA LEU A 103 6.803 -0.810 8.308 1.00 0.00 C ATOM 1530 C LEU A 103 7.315 -0.435 6.921 1.00 0.00 C ATOM 1531 O LEU A 103 7.734 -1.299 6.150 1.00 0.00 O ATOM 1532 CB LEU A 103 7.968 -1.267 9.189 1.00 0.00 C ATOM 1533 CG LEU A 103 8.792 -0.156 9.840 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.409 0.743 8.780 1.00 0.00 C ATOM 1535 CD2 LEU A 103 7.931 0.657 10.796 1.00 0.00 C ATOM 0 H LEU A 103 6.140 -2.754 7.880 1.00 0.00 H new ATOM 0 HA LEU A 103 6.342 0.071 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.572 -1.908 9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.636 -1.881 8.584 1.00 0.00 H new ATOM 0 HG LEU A 103 9.599 -0.616 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.992 1.528 9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.060 0.152 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.618 1.195 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.534 1.443 11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.103 1.106 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.538 0.005 11.576 1.00 0.00 H new ATOM 1547 N ILE A 104 7.280 0.856 6.613 1.00 0.00 N ATOM 1548 CA ILE A 104 7.744 1.345 5.321 1.00 0.00 C ATOM 1549 C ILE A 104 9.018 2.170 5.470 1.00 0.00 C ATOM 1550 O ILE A 104 9.008 3.243 6.074 1.00 0.00 O ATOM 1551 CB ILE A 104 6.670 2.202 4.624 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.385 1.393 4.436 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.184 2.709 3.285 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.135 2.245 4.400 1.00 0.00 C ATOM 0 H ILE A 104 6.935 1.583 7.240 1.00 0.00 H new ATOM 0 HA ILE A 104 7.951 0.468 4.708 1.00 0.00 H new ATOM 0 HB ILE A 104 6.447 3.063 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.455 0.825 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.299 0.669 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.414 3.313 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.075 3.316 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.432 1.862 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.263 1.606 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.041 2.793 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.200 2.951 3.572 1.00 0.00 H new ATOM 1566 N ARG A 105 10.113 1.663 4.914 1.00 0.00 N ATOM 1567 CA ARG A 105 11.396 2.353 4.984 1.00 0.00 C ATOM 1568 C ARG A 105 11.777 2.932 3.625 1.00 0.00 C ATOM 1569 O ARG A 105 12.026 2.194 2.672 1.00 0.00 O ATOM 1570 CB ARG A 105 12.488 1.396 5.467 1.00 0.00 C ATOM 1571 CG ARG A 105 12.348 1.001 6.928 1.00 0.00 C ATOM 1572 CD ARG A 105 13.681 0.567 7.518 1.00 0.00 C ATOM 1573 NE ARG A 105 13.513 -0.156 8.776 1.00 0.00 N ATOM 1574 CZ ARG A 105 14.528 -0.618 9.499 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.776 -0.432 9.091 1.00 0.00 N ATOM 1576 NH2 ARG A 105 14.295 -1.266 10.633 1.00 0.00 N ATOM 0 H ARG A 105 10.138 0.777 4.410 1.00 0.00 H new ATOM 0 HA ARG A 105 11.301 3.173 5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.469 0.496 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 105 13.461 1.863 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.954 1.843 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.627 0.189 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.205 -0.067 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.307 1.444 7.685 1.00 0.00 H new ATOM 0 HE ARG A 105 12.565 -0.315 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.959 0.067 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.553 -0.788 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.336 -1.410 10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.074 -1.620 11.187 1.00 0.00 H new ATOM 1590 N VAL A 106 11.820 4.258 3.543 1.00 0.00 N ATOM 1591 CA VAL A 106 12.171 4.936 2.301 1.00 0.00 C ATOM 1592 C VAL A 106 13.665 5.235 2.242 1.00 0.00 C ATOM 1593 O VAL A 106 14.356 5.208 3.260 1.00 0.00 O ATOM 1594 CB VAL A 106 11.388 6.253 2.140 1.00 0.00 C ATOM 1595 CG1 VAL A 106 11.898 7.301 3.118 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.484 6.758 0.708 1.00 0.00 C ATOM 0 H VAL A 106 11.616 4.884 4.322 1.00 0.00 H new ATOM 0 HA VAL A 106 11.906 4.262 1.486 1.00 0.00 H new ATOM 0 HB VAL A 106 10.339 6.061 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.333 8.224 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.773 6.938 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.954 7.493 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.925 7.689 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.529 6.934 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.066 6.013 0.031 1.00 0.00 H new ATOM 1606 N LYS A 107 14.158 5.522 1.042 1.00 0.00 N ATOM 1607 CA LYS A 107 15.570 5.828 0.848 1.00 0.00 C ATOM 1608 C LYS A 107 15.976 7.057 1.655 1.00 0.00 C ATOM 1609 O LYS A 107 16.980 7.041 2.368 1.00 0.00 O ATOM 1610 CB LYS A 107 15.863 6.060 -0.636 1.00 0.00 C ATOM 1611 CG LYS A 107 17.330 5.901 -0.999 1.00 0.00 C ATOM 1612 CD LYS A 107 17.648 6.552 -2.334 1.00 0.00 C ATOM 1613 CE LYS A 107 17.343 5.619 -3.496 1.00 0.00 C ATOM 1614 NZ LYS A 107 18.473 4.690 -3.773 1.00 0.00 N ATOM 0 H LYS A 107 13.600 5.549 0.189 1.00 0.00 H new ATOM 0 HA LYS A 107 16.152 4.976 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.273 5.360 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.536 7.063 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.949 6.346 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.583 4.841 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.068 7.469 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.700 6.836 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 107 16.445 5.042 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.130 6.208 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.226 4.071 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.324 5.239 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.660 4.110 -2.930 1.00 0.00 H new ATOM 1628 N THR A 108 15.189 8.122 1.539 1.00 0.00 N ATOM 1629 CA THR A 108 15.467 9.359 2.258 1.00 0.00 C ATOM 1630 C THR A 108 14.309 9.732 3.177 1.00 0.00 C ATOM 1631 O THR A 108 13.158 9.795 2.747 1.00 0.00 O ATOM 1632 CB THR A 108 15.733 10.525 1.288 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.579 10.759 0.474 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.933 10.228 0.402 1.00 0.00 C ATOM 0 H THR A 108 14.354 8.153 0.954 1.00 0.00 H new ATOM 0 HA THR A 108 16.361 9.183 2.856 1.00 0.00 H new ATOM 0 HB THR A 108 15.948 11.417 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.756 11.503 -0.139 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.102 11.066 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.816 10.080 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.742 9.325 -0.178 1.00 0.00 H new ATOM 1642 N SER A 109 14.622 9.980 4.445 1.00 0.00 N ATOM 1643 CA SER A 109 13.607 10.344 5.427 1.00 0.00 C ATOM 1644 C SER A 109 12.669 11.410 4.868 1.00 0.00 C ATOM 1645 O SER A 109 11.449 11.252 4.892 1.00 0.00 O ATOM 1646 CB SER A 109 14.267 10.851 6.710 1.00 0.00 C ATOM 1647 OG SER A 109 15.091 11.974 6.451 1.00 0.00 O ATOM 0 H SER A 109 15.571 9.935 4.817 1.00 0.00 H new ATOM 0 HA SER A 109 13.022 9.453 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.499 11.119 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.863 10.054 7.156 1.00 0.00 H new ATOM 0 HG SER A 109 15.500 12.280 7.288 1.00 0.00 H new ATOM 1653 N GLU A 110 13.250 12.495 4.365 1.00 0.00 N ATOM 1654 CA GLU A 110 12.466 13.588 3.802 1.00 0.00 C ATOM 1655 C GLU A 110 11.283 13.052 3.000 1.00 0.00 C ATOM 1656 O GLU A 110 10.191 13.618 3.031 1.00 0.00 O ATOM 1657 CB GLU A 110 13.345 14.467 2.909 1.00 0.00 C ATOM 1658 CG GLU A 110 13.908 13.738 1.701 1.00 0.00 C ATOM 1659 CD GLU A 110 14.504 14.682 0.675 1.00 0.00 C ATOM 1660 OE1 GLU A 110 15.704 15.008 0.795 1.00 0.00 O ATOM 1661 OE2 GLU A 110 13.771 15.096 -0.247 1.00 0.00 O ATOM 0 H GLU A 110 14.259 12.640 4.336 1.00 0.00 H new ATOM 0 HA GLU A 110 12.082 14.189 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.761 15.322 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.170 14.862 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.673 13.035 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.117 13.152 1.234 1.00 0.00 H new ATOM 1668 N ASP A 111 11.511 11.958 2.282 1.00 0.00 N ATOM 1669 CA ASP A 111 10.465 11.344 1.472 1.00 0.00 C ATOM 1670 C ASP A 111 9.324 10.838 2.349 1.00 0.00 C ATOM 1671 O ASP A 111 8.157 11.139 2.102 1.00 0.00 O ATOM 1672 CB ASP A 111 11.039 10.192 0.646 1.00 0.00 C ATOM 1673 CG ASP A 111 10.286 9.979 -0.653 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.069 10.254 -0.684 1.00 0.00 O ATOM 1675 OD2 ASP A 111 10.914 9.535 -1.637 1.00 0.00 O ATOM 0 H ASP A 111 12.410 11.478 2.244 1.00 0.00 H new ATOM 0 HA ASP A 111 10.071 12.104 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.087 10.394 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.008 9.275 1.235 1.00 0.00 H new ATOM 1680 N ALA A 112 9.671 10.066 3.374 1.00 0.00 N ATOM 1681 CA ALA A 112 8.677 9.519 4.289 1.00 0.00 C ATOM 1682 C ALA A 112 7.601 10.550 4.612 1.00 0.00 C ATOM 1683 O ALA A 112 6.409 10.288 4.454 1.00 0.00 O ATOM 1684 CB ALA A 112 9.346 9.034 5.567 1.00 0.00 C ATOM 0 H ALA A 112 10.633 9.805 3.591 1.00 0.00 H new ATOM 0 HA ALA A 112 8.196 8.672 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.592 8.628 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.072 8.258 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.854 9.868 6.051 1.00 0.00 H new ATOM 1690 N ASP A 113 8.030 11.723 5.065 1.00 0.00 N ATOM 1691 CA ASP A 113 7.102 12.795 5.409 1.00 0.00 C ATOM 1692 C ASP A 113 5.990 12.906 4.372 1.00 0.00 C ATOM 1693 O ASP A 113 4.810 12.787 4.699 1.00 0.00 O ATOM 1694 CB ASP A 113 7.847 14.126 5.521 1.00 0.00 C ATOM 1695 CG ASP A 113 7.011 15.203 6.184 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.206 14.864 7.077 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.160 16.385 5.810 1.00 0.00 O ATOM 0 H ASP A 113 9.013 11.956 5.203 1.00 0.00 H new ATOM 0 HA ASP A 113 6.652 12.557 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.764 13.979 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.141 14.459 4.526 1.00 0.00 H new ATOM 1702 N GLU A 114 6.375 13.135 3.120 1.00 0.00 N ATOM 1703 CA GLU A 114 5.410 13.264 2.035 1.00 0.00 C ATOM 1704 C GLU A 114 4.480 12.054 1.988 1.00 0.00 C ATOM 1705 O GLU A 114 3.258 12.198 1.951 1.00 0.00 O ATOM 1706 CB GLU A 114 6.132 13.419 0.695 1.00 0.00 C ATOM 1707 CG GLU A 114 5.199 13.410 -0.504 1.00 0.00 C ATOM 1708 CD GLU A 114 5.843 13.989 -1.748 1.00 0.00 C ATOM 1709 OE1 GLU A 114 6.646 13.277 -2.387 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.543 15.154 -2.084 1.00 0.00 O ATOM 0 H GLU A 114 7.349 13.235 2.833 1.00 0.00 H new ATOM 0 HA GLU A 114 4.810 14.155 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.694 14.353 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.857 12.612 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.883 12.387 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.301 13.980 -0.265 1.00 0.00 H new ATOM 1717 N LEU A 115 5.069 10.864 1.989 1.00 0.00 N ATOM 1718 CA LEU A 115 4.295 9.628 1.945 1.00 0.00 C ATOM 1719 C LEU A 115 3.211 9.626 3.018 1.00 0.00 C ATOM 1720 O LEU A 115 2.058 9.287 2.750 1.00 0.00 O ATOM 1721 CB LEU A 115 5.215 8.420 2.131 1.00 0.00 C ATOM 1722 CG LEU A 115 4.526 7.097 2.467 1.00 0.00 C ATOM 1723 CD1 LEU A 115 4.013 6.425 1.203 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.478 6.174 3.215 1.00 0.00 C ATOM 0 H LEU A 115 6.079 10.728 2.020 1.00 0.00 H new ATOM 0 HA LEU A 115 3.814 9.564 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.792 8.284 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.926 8.649 2.925 1.00 0.00 H new ATOM 0 HG LEU A 115 3.674 7.308 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.526 5.485 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.297 7.080 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.848 6.227 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.970 5.237 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.350 5.971 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.796 6.652 4.141 1.00 0.00 H new ATOM 1736 N HIS A 116 3.588 10.009 4.234 1.00 0.00 N ATOM 1737 CA HIS A 116 2.647 10.055 5.347 1.00 0.00 C ATOM 1738 C HIS A 116 1.586 11.128 5.119 1.00 0.00 C ATOM 1739 O HIS A 116 0.389 10.870 5.247 1.00 0.00 O ATOM 1740 CB HIS A 116 3.387 10.323 6.657 1.00 0.00 C ATOM 1741 CG HIS A 116 2.594 9.968 7.877 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.088 10.911 8.747 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.219 8.765 8.370 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.438 10.303 9.723 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.501 9.000 9.517 1.00 0.00 N ATOM 0 H HIS A 116 4.538 10.292 4.473 1.00 0.00 H new ATOM 0 HA HIS A 116 2.150 9.087 5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.318 9.756 6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.656 11.378 6.703 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.198 11.921 8.652 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.443 7.799 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.940 10.789 10.549 1.00 0.00 H new ATOM 1753 N LYS A 117 2.034 12.332 4.781 1.00 0.00 N ATOM 1754 CA LYS A 117 1.125 13.445 4.534 1.00 0.00 C ATOM 1755 C LYS A 117 0.091 13.078 3.474 1.00 0.00 C ATOM 1756 O LYS A 117 -1.114 13.138 3.723 1.00 0.00 O ATOM 1757 CB LYS A 117 1.909 14.682 4.090 1.00 0.00 C ATOM 1758 CG LYS A 117 1.027 15.823 3.613 1.00 0.00 C ATOM 1759 CD LYS A 117 1.806 17.122 3.504 1.00 0.00 C ATOM 1760 CE LYS A 117 1.127 18.101 2.558 1.00 0.00 C ATOM 1761 NZ LYS A 117 1.587 19.500 2.783 1.00 0.00 N ATOM 0 H LYS A 117 3.022 12.562 4.672 1.00 0.00 H new ATOM 0 HA LYS A 117 0.603 13.668 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.522 15.031 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.591 14.401 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.599 15.572 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.194 15.954 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.901 17.575 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.816 16.913 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.333 17.812 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.047 18.048 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.101 20.136 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.368 19.785 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.614 19.557 2.628 1.00 0.00 H new ATOM 1775 N ILE A 118 0.569 12.698 2.294 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.314 12.320 1.199 1.00 0.00 C ATOM 1777 C ILE A 118 -1.300 11.241 1.635 1.00 0.00 C ATOM 1778 O ILE A 118 -2.508 11.475 1.692 1.00 0.00 O ATOM 1779 CB ILE A 118 0.483 11.810 -0.017 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.436 12.895 -0.521 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.464 11.372 -1.125 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.427 12.398 -1.550 1.00 0.00 C ATOM 0 H ILE A 118 1.563 12.644 2.072 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.863 13.217 0.913 1.00 0.00 H new ATOM 0 HB ILE A 118 1.075 10.948 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.852 13.708 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.982 13.310 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.114 11.014 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.106 10.570 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.079 12.217 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.070 13.220 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.036 11.606 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.889 12.009 -2.415 1.00 0.00 H new ATOM 1794 N LEU A 119 -0.777 10.060 1.944 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.611 8.944 2.378 1.00 0.00 C ATOM 1796 C LEU A 119 -2.817 9.441 3.168 1.00 0.00 C ATOM 1797 O LEU A 119 -3.933 8.949 2.993 1.00 0.00 O ATOM 1798 CB LEU A 119 -0.793 7.972 3.231 1.00 0.00 C ATOM 1799 CG LEU A 119 0.019 6.927 2.466 1.00 0.00 C ATOM 1800 CD1 LEU A 119 1.072 6.303 3.369 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -0.897 5.856 1.892 1.00 0.00 C ATOM 0 H LEU A 119 0.220 9.850 1.902 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.971 8.424 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.109 8.551 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.473 7.452 3.906 1.00 0.00 H new ATOM 0 HG LEU A 119 0.527 7.423 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.640 5.562 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.747 7.079 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.585 5.821 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.302 5.120 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.433 5.363 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.613 6.316 1.211 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.587 10.419 4.037 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.655 10.984 4.853 1.00 0.00 C ATOM 1815 C LEU A 120 -4.661 11.737 3.988 1.00 0.00 C ATOM 1816 O LEU A 120 -5.842 11.395 3.954 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.073 11.923 5.912 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.229 11.262 7.003 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.703 12.306 7.976 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.040 10.206 7.739 1.00 0.00 C ATOM 0 H LEU A 120 -1.670 10.837 4.194 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.172 10.163 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.460 12.670 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.896 12.455 6.389 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.377 10.773 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.105 11.818 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.086 13.026 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.541 12.824 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.423 9.746 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.911 10.672 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.367 9.442 7.034 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.183 12.762 3.290 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.040 13.562 2.423 1.00 0.00 C ATOM 1834 C GLU A 121 -5.822 12.673 1.460 1.00 0.00 C ATOM 1835 O GLU A 121 -6.997 12.917 1.185 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.206 14.575 1.636 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.940 15.864 2.395 1.00 0.00 C ATOM 1838 CD GLU A 121 -3.316 16.936 1.522 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -2.533 16.582 0.616 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -3.611 18.129 1.745 1.00 0.00 O ATOM 0 H GLU A 121 -3.207 13.058 3.308 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.750 14.098 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.254 14.118 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.720 14.811 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.877 16.237 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.280 15.656 3.237 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.160 11.639 0.950 1.00 0.00 N ATOM 1848 CA LYS A 122 -5.790 10.712 0.018 1.00 0.00 C ATOM 1849 C LYS A 122 -7.089 10.158 0.596 1.00 0.00 C ATOM 1850 O LYS A 122 -8.101 10.068 -0.099 1.00 0.00 O ATOM 1851 CB LYS A 122 -4.836 9.562 -0.314 1.00 0.00 C ATOM 1852 CG LYS A 122 -3.533 10.018 -0.949 1.00 0.00 C ATOM 1853 CD LYS A 122 -3.656 10.121 -2.460 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.049 11.525 -2.893 1.00 0.00 C ATOM 1855 NZ LYS A 122 -4.001 11.683 -4.373 1.00 0.00 N ATOM 0 H LYS A 122 -4.187 11.423 1.167 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.023 11.258 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.612 9.011 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.337 8.869 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.247 10.987 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.738 9.317 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.707 9.849 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.400 9.408 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.055 11.747 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.379 12.249 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.903 12.691 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.188 11.157 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.878 11.312 -4.790 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.053 9.788 1.872 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.226 9.246 2.545 1.00 0.00 C ATOM 1871 C LYS A 123 -9.471 10.061 2.210 1.00 0.00 C ATOM 1872 O LYS A 123 -10.492 9.511 1.797 1.00 0.00 O ATOM 1873 CB LYS A 123 -8.008 9.228 4.060 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.836 8.366 4.495 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.435 8.654 5.932 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.466 7.607 6.461 1.00 0.00 C ATOM 1877 NZ LYS A 123 -4.263 7.477 5.593 1.00 0.00 N ATOM 0 H LYS A 123 -6.223 9.854 2.461 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.376 8.225 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.847 10.248 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -8.914 8.866 4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -7.100 7.313 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.986 8.546 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.975 9.640 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.325 8.679 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.158 7.875 7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.972 6.644 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -4.254 6.536 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -4.288 8.207 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -3.405 7.597 6.169 1.00 0.00 H new ATOM 1891 N ASP A 124 -9.379 11.374 2.390 1.00 0.00 N ATOM 1892 CA ASP A 124 -10.498 12.265 2.104 1.00 0.00 C ATOM 1893 C ASP A 124 -10.615 12.526 0.605 1.00 0.00 C ATOM 1894 O ASP A 124 -11.714 12.542 0.052 1.00 0.00 O ATOM 1895 CB ASP A 124 -10.328 13.587 2.853 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.002 14.258 2.551 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -8.011 13.952 3.246 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -8.956 15.089 1.620 1.00 0.00 O ATOM 0 H ASP A 124 -8.542 11.845 2.732 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.413 11.780 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.142 14.260 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.404 13.406 3.925 1.00 0.00 H new ATOM 1903 N ALA A 125 -9.474 12.732 -0.045 1.00 0.00 N ATOM 1904 CA ALA A 125 -9.449 12.992 -1.479 1.00 0.00 C ATOM 1905 C ALA A 125 -9.474 11.691 -2.274 1.00 0.00 C ATOM 1906 O ALA A 125 -8.492 10.948 -2.298 1.00 0.00 O ATOM 1907 CB ALA A 125 -8.221 13.813 -1.845 1.00 0.00 C ATOM 0 H ALA A 125 -8.556 12.724 0.399 1.00 0.00 H new ATOM 0 HA ALA A 125 -10.343 13.561 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.215 14.000 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.246 14.763 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -7.321 13.265 -1.567 1.00 0.00 H new