USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 692 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 259 LYS NZ :NH3+ -111:sc= 1.2 (180deg=-0.26) USER MOD Set 1.2: A 276 CYS SG : rot 65:sc= -0.334 USER MOD Set 1.3: A 284 TYR OH : rot 135:sc= 1.03 USER MOD Set 2.1: A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 254 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.6!) USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 218 LYS NZ :NH3+ 149:sc= -0.487 (180deg=-2.33) USER MOD Set 4.2: A 223 TYR OH : rot -127:sc= -0.082 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.46 F(o=-2.9!,f=-0.46) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 163:sc= -0.0135 (180deg=-0.225) USER MOD Single : A 229 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 230 LYS NZ :NH3+ 166:sc= -0.0174 (180deg=-0.193) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.29 F(o=-2,f=0.29) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN :FLIP amide:sc= -3.32! C(o=-5!,f=-3.3!) USER MOD Single : A 251 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.33) USER MOD Single : A 255 MET CE :methyl -107:sc= -0.216 (180deg=-2.69!) USER MOD Single : A 256 SER OG : rot 180:sc= 0.319 USER MOD Single : A 258 SER OG : rot 180:sc= 0.222 USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 268 LYS NZ :NH3+ 156:sc= -1.09! (180deg=-3.1!) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot -150:sc= -0.258 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 277 SER OG : rot -130:sc= -0.0809 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.9! C(o=-16!,f=-12!) USER MOD Single : A 286 CYS SG : rot 115:sc= -8.91! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= -0.545 USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 295 THR OG1 : rot -151:sc= -1.11 USER MOD Single : A 300 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.344 -2.989 -0.031 1.00 0.50 N ATOM 98 CA ALA A 214 12.780 -1.677 0.437 1.00 0.39 C ATOM 99 C ALA A 214 11.792 -1.073 1.424 1.00 0.25 C ATOM 100 O ALA A 214 12.005 0.032 1.909 1.00 0.27 O ATOM 101 CB ALA A 214 13.010 -0.709 -0.702 1.00 0.48 C ATOM 0 HA ALA A 214 13.730 -1.842 0.945 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.333 0.252 -0.303 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.780 -1.104 -1.365 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.083 -0.577 -1.260 1.00 0.48 H new ATOM 107 N PHE A 215 10.787 -1.837 1.821 1.00 0.25 N ATOM 108 CA PHE A 215 9.929 -1.424 2.907 1.00 0.18 C ATOM 109 C PHE A 215 10.427 -2.109 4.157 1.00 0.21 C ATOM 110 O PHE A 215 10.209 -3.310 4.350 1.00 0.28 O ATOM 111 CB PHE A 215 8.449 -1.783 2.663 1.00 0.20 C ATOM 112 CG PHE A 215 7.851 -1.198 1.400 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.364 -1.516 0.152 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.783 -0.327 1.459 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.822 -0.980 -0.998 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.237 0.213 0.312 1.00 0.31 C ATOM 117 CZ PHE A 215 6.749 -0.136 -0.924 1.00 0.35 C ATOM 0 H PHE A 215 10.551 -2.739 1.408 1.00 0.25 H new ATOM 0 HA PHE A 215 9.969 -0.339 2.999 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.355 -2.868 2.623 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.862 -1.443 3.517 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.201 -2.194 0.079 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.367 -0.063 2.420 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.247 -1.228 -1.960 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.412 0.906 0.380 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.304 0.256 -1.826 1.00 0.35 H new ATOM 127 N GLN A 216 11.135 -1.337 4.966 1.00 0.18 N ATOM 128 CA GLN A 216 11.696 -1.792 6.227 1.00 0.21 C ATOM 129 C GLN A 216 10.673 -2.628 6.965 1.00 0.24 C ATOM 130 O GLN A 216 10.849 -3.828 7.178 1.00 0.31 O ATOM 131 CB GLN A 216 12.036 -0.561 7.052 1.00 0.20 C ATOM 132 CG GLN A 216 13.383 -0.638 7.753 1.00 0.25 C ATOM 133 CD GLN A 216 13.741 0.630 8.512 1.00 0.30 C ATOM 134 OE1 GLN A 216 12.964 1.685 8.327 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.731 0.667 9.240 1.00 0.79 N flip ATOM 0 H GLN A 216 11.339 -0.359 4.760 1.00 0.18 H new ATOM 0 HA GLN A 216 12.586 -2.397 6.054 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.026 0.314 6.402 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.257 -0.411 7.800 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.376 -1.478 8.447 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.158 -0.842 7.014 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.308 -0.166 9.359 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.976 1.531 9.725 1.00 0.79 H new ATOM 144 N LYS A 217 9.522 -2.024 7.143 1.00 0.20 N ATOM 145 CA LYS A 217 8.366 -2.732 7.609 1.00 0.22 C ATOM 146 C LYS A 217 7.149 -2.328 6.787 1.00 0.17 C ATOM 147 O LYS A 217 6.712 -1.186 6.850 1.00 0.17 O ATOM 148 CB LYS A 217 8.131 -2.420 9.081 1.00 0.28 C ATOM 149 CG LYS A 217 6.856 -3.023 9.621 1.00 0.36 C ATOM 150 CD LYS A 217 6.491 -2.415 10.964 1.00 0.59 C ATOM 151 CE LYS A 217 7.465 -2.831 12.053 1.00 1.26 C ATOM 152 NZ LYS A 217 7.206 -2.112 13.329 1.00 1.85 N ATOM 0 H LYS A 217 9.366 -1.031 6.968 1.00 0.20 H new ATOM 0 HA LYS A 217 8.529 -3.804 7.496 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.975 -2.790 9.663 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.100 -1.339 9.216 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.044 -2.861 8.912 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.976 -4.101 9.727 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.481 -1.328 10.881 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.483 -2.723 11.241 1.00 0.59 H new ATOM 0 HE2 LYS A 217 7.388 -3.906 12.219 1.00 1.26 H new ATOM 0 HE3 LYS A 217 8.485 -2.632 11.724 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 7.891 -2.423 14.048 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 7.305 -1.088 13.177 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.241 -2.322 13.656 1.00 1.85 H new ATOM 166 N LYS A 218 6.479 -3.301 6.210 1.00 0.19 N ATOM 167 CA LYS A 218 5.171 -3.053 5.635 1.00 0.20 C ATOM 168 C LYS A 218 4.141 -3.275 6.724 1.00 0.18 C ATOM 169 O LYS A 218 4.353 -4.104 7.609 1.00 0.20 O ATOM 170 CB LYS A 218 4.897 -3.964 4.429 1.00 0.31 C ATOM 171 CG LYS A 218 3.508 -3.789 3.820 1.00 0.39 C ATOM 172 CD LYS A 218 3.392 -4.542 2.513 1.00 0.96 C ATOM 173 CE LYS A 218 2.029 -4.362 1.879 1.00 1.56 C ATOM 174 NZ LYS A 218 1.601 -2.940 1.860 1.00 2.42 N ATOM 0 H LYS A 218 6.811 -4.262 6.126 1.00 0.19 H new ATOM 0 HA LYS A 218 5.122 -2.029 5.264 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.646 -3.768 3.662 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.019 -5.003 4.736 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.752 -4.148 4.519 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.311 -2.730 3.653 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.162 -4.195 1.824 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.575 -5.602 2.687 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.051 -4.746 0.859 1.00 1.56 H new ATOM 0 HE3 LYS A 218 1.295 -4.953 2.427 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.001 -2.769 1.028 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.063 -2.728 2.725 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.439 -2.326 1.814 1.00 2.42 H new ATOM 188 N LEU A 219 3.077 -2.493 6.713 1.00 0.16 N ATOM 189 CA LEU A 219 2.040 -2.619 7.722 1.00 0.16 C ATOM 190 C LEU A 219 1.466 -4.037 7.702 1.00 0.16 C ATOM 191 O LEU A 219 1.748 -4.809 6.783 1.00 0.17 O ATOM 192 CB LEU A 219 0.932 -1.595 7.490 1.00 0.20 C ATOM 193 CG LEU A 219 0.258 -1.062 8.753 1.00 0.66 C ATOM 194 CD1 LEU A 219 1.245 -0.255 9.582 1.00 1.20 C ATOM 195 CD2 LEU A 219 -0.954 -0.217 8.393 1.00 1.62 C ATOM 0 H LEU A 219 2.908 -1.765 6.018 1.00 0.16 H new ATOM 0 HA LEU A 219 2.480 -2.426 8.700 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.349 -0.753 6.938 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.170 -2.047 6.855 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.079 -1.910 9.349 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.749 0.117 10.478 1.00 1.20 H new ATOM 0 HD12 LEU A 219 2.084 -0.890 9.869 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.611 0.587 8.994 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.422 0.155 9.304 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.640 0.625 7.777 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.670 -0.825 7.839 1.00 1.62 H new ATOM 207 N GLU A 220 0.740 -4.390 8.753 1.00 0.17 N ATOM 208 CA GLU A 220 0.201 -5.739 8.916 1.00 0.20 C ATOM 209 C GLU A 220 -0.465 -6.247 7.632 1.00 0.19 C ATOM 210 O GLU A 220 -1.047 -5.467 6.875 1.00 0.19 O ATOM 211 CB GLU A 220 -0.816 -5.741 10.058 1.00 0.23 C ATOM 212 CG GLU A 220 -1.952 -4.747 9.853 1.00 0.24 C ATOM 213 CD GLU A 220 -2.888 -4.676 11.039 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.642 -5.377 12.040 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.876 -3.913 10.977 1.00 1.12 O ATOM 0 H GLU A 220 0.507 -3.754 9.516 1.00 0.17 H new ATOM 0 HA GLU A 220 1.030 -6.408 9.145 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.233 -6.743 10.163 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.304 -5.510 10.992 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.534 -3.758 9.666 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.518 -5.027 8.965 1.00 0.24 H new ATOM 222 N PRO A 221 -0.328 -7.558 7.339 1.00 0.22 N ATOM 223 CA PRO A 221 -0.861 -8.179 6.110 1.00 0.23 C ATOM 224 C PRO A 221 -2.387 -8.191 6.045 1.00 0.20 C ATOM 225 O PRO A 221 -2.973 -9.057 5.407 1.00 0.19 O ATOM 226 CB PRO A 221 -0.326 -9.614 6.166 1.00 0.29 C ATOM 227 CG PRO A 221 -0.017 -9.856 7.601 1.00 0.57 C ATOM 228 CD PRO A 221 0.416 -8.530 8.158 1.00 0.26 C ATOM 0 HA PRO A 221 -0.552 -7.619 5.227 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.065 -10.325 5.796 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.564 -9.728 5.546 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -0.891 -10.235 8.130 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.770 -10.602 7.711 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.168 -8.438 9.215 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.493 -8.389 8.070 1.00 0.26 H new ATOM 236 N ALA A 222 -3.004 -7.142 6.562 1.00 0.20 N ATOM 237 CA ALA A 222 -4.439 -6.953 6.467 1.00 0.19 C ATOM 238 C ALA A 222 -4.782 -5.489 6.693 1.00 0.15 C ATOM 239 O ALA A 222 -5.107 -5.080 7.809 1.00 0.17 O ATOM 240 CB ALA A 222 -5.175 -7.825 7.469 1.00 0.24 C ATOM 0 H ALA A 222 -2.521 -6.395 7.061 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.758 -7.248 5.468 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.248 -7.662 7.374 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.949 -8.873 7.274 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.857 -7.567 8.479 1.00 0.24 H new ATOM 246 N TYR A 223 -4.735 -4.713 5.624 1.00 0.12 N ATOM 247 CA TYR A 223 -5.089 -3.307 5.696 1.00 0.11 C ATOM 248 C TYR A 223 -6.603 -3.176 5.718 1.00 0.13 C ATOM 249 O TYR A 223 -7.295 -3.741 4.864 1.00 0.17 O ATOM 250 CB TYR A 223 -4.529 -2.527 4.497 1.00 0.12 C ATOM 251 CG TYR A 223 -3.026 -2.299 4.499 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.192 -3.133 5.235 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.445 -1.241 3.815 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.827 -2.922 5.280 1.00 0.18 C ATOM 255 CE2 TYR A 223 -1.080 -1.023 3.868 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.276 -1.895 4.406 1.00 0.16 C ATOM 257 OH TYR A 223 1.079 -1.654 4.671 1.00 0.21 O ATOM 0 H TYR A 223 -4.455 -5.033 4.697 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.657 -2.889 6.605 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.795 -3.060 3.584 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -5.024 -1.557 4.455 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.619 -3.961 5.782 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -3.068 -0.578 3.233 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.193 -3.497 5.938 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.673 -0.112 3.455 1.00 0.20 H new ATOM 0 HH TYR A 223 1.217 -0.696 4.824 1.00 0.21 H new ATOM 267 N GLN A 224 -7.118 -2.508 6.733 1.00 0.15 N ATOM 268 CA GLN A 224 -8.550 -2.351 6.877 1.00 0.18 C ATOM 269 C GLN A 224 -8.998 -0.979 6.393 1.00 0.17 C ATOM 270 O GLN A 224 -8.702 0.038 7.024 1.00 0.22 O ATOM 271 CB GLN A 224 -8.969 -2.565 8.330 1.00 0.26 C ATOM 272 CG GLN A 224 -8.849 -4.006 8.789 1.00 0.34 C ATOM 273 CD GLN A 224 -9.455 -4.231 10.157 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.004 -3.665 11.152 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.493 -5.049 10.219 1.00 0.99 N ATOM 0 H GLN A 224 -6.566 -2.067 7.468 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.036 -3.106 6.259 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.355 -1.935 8.973 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.001 -2.237 8.454 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.341 -4.656 8.066 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.797 -4.291 8.810 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.838 -5.500 9.372 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.948 -5.229 11.114 1.00 0.99 H new ATOM 284 N VAL A 225 -9.690 -0.952 5.260 1.00 0.16 N ATOM 285 CA VAL A 225 -10.190 0.296 4.704 1.00 0.18 C ATOM 286 C VAL A 225 -11.405 0.764 5.470 1.00 0.24 C ATOM 287 O VAL A 225 -12.415 0.080 5.475 1.00 0.30 O ATOM 288 CB VAL A 225 -10.634 0.156 3.230 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.916 1.521 2.613 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.624 -0.606 2.406 1.00 0.77 C ATOM 0 H VAL A 225 -9.917 -1.780 4.710 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.363 1.002 4.775 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.559 -0.421 3.226 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.226 1.394 1.576 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.710 2.016 3.172 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.013 2.130 2.650 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -9.976 -0.681 1.377 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.669 -0.082 2.425 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.497 -1.606 2.820 1.00 0.77 H new ATOM 300 N SER A 226 -11.426 2.023 5.818 1.00 0.26 N ATOM 301 CA SER A 226 -12.679 2.620 6.195 1.00 0.33 C ATOM 302 C SER A 226 -13.320 3.131 4.913 1.00 0.32 C ATOM 303 O SER A 226 -12.743 3.987 4.243 1.00 0.32 O ATOM 304 CB SER A 226 -12.463 3.746 7.206 1.00 0.42 C ATOM 305 OG SER A 226 -13.689 4.336 7.620 1.00 1.20 O ATOM 0 H SER A 226 -10.615 2.640 5.849 1.00 0.26 H new ATOM 0 HA SER A 226 -13.331 1.896 6.683 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.937 3.355 8.077 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.824 4.511 6.765 1.00 0.42 H new ATOM 0 HG SER A 226 -13.507 5.049 8.267 1.00 1.20 H new ATOM 311 N LYS A 227 -14.311 2.393 4.418 1.00 0.34 N ATOM 312 CA LYS A 227 -14.856 2.650 3.086 1.00 0.37 C ATOM 313 C LYS A 227 -15.152 4.123 2.859 1.00 0.42 C ATOM 314 O LYS A 227 -15.897 4.756 3.613 1.00 0.48 O ATOM 315 CB LYS A 227 -16.118 1.817 2.821 1.00 0.44 C ATOM 316 CG LYS A 227 -17.071 2.441 1.803 1.00 0.95 C ATOM 317 CD LYS A 227 -18.357 1.642 1.656 1.00 0.93 C ATOM 318 CE LYS A 227 -19.317 1.896 2.805 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.880 3.272 2.766 1.00 1.54 N ATOM 0 H LYS A 227 -14.751 1.618 4.914 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.083 2.349 2.379 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.822 0.829 2.468 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.650 1.673 3.761 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.311 3.459 2.109 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.574 2.507 0.835 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.841 1.903 0.715 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.120 0.579 1.609 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -20.130 1.170 2.766 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.798 1.743 3.751 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.725 3.319 3.371 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -19.169 3.948 3.112 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.140 3.513 1.788 1.00 1.54 H new ATOM 333 N GLY A 228 -14.563 4.644 1.795 1.00 0.46 N ATOM 334 CA GLY A 228 -14.777 6.031 1.417 1.00 0.57 C ATOM 335 C GLY A 228 -14.017 6.996 2.300 1.00 0.57 C ATOM 336 O GLY A 228 -14.098 8.210 2.123 1.00 0.70 O ATOM 0 H GLY A 228 -13.934 4.129 1.179 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.470 6.173 0.381 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.842 6.258 1.468 1.00 0.57 H new ATOM 340 N HIS A 229 -13.184 6.453 3.169 1.00 0.47 N ATOM 341 CA HIS A 229 -12.321 7.272 4.012 1.00 0.53 C ATOM 342 C HIS A 229 -10.980 7.430 3.325 1.00 0.54 C ATOM 343 O HIS A 229 -10.140 8.233 3.737 1.00 1.02 O ATOM 344 CB HIS A 229 -12.153 6.630 5.397 1.00 0.55 C ATOM 345 CG HIS A 229 -11.175 7.325 6.301 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.316 8.631 6.708 1.00 1.94 N ATOM 347 CD2 HIS A 229 -10.028 6.880 6.869 1.00 2.31 C ATOM 348 CE1 HIS A 229 -10.299 8.962 7.482 1.00 2.66 C ATOM 349 NE2 HIS A 229 -9.502 7.918 7.597 1.00 2.89 N ATOM 0 H HIS A 229 -13.084 5.448 3.312 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.772 8.253 4.157 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.125 6.603 5.889 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.833 5.596 5.266 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -9.606 5.891 6.768 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.146 9.926 7.944 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -8.638 7.887 8.138 1.00 2.89 H new ATOM 358 N LYS A 230 -10.785 6.592 2.308 1.00 0.30 N ATOM 359 CA LYS A 230 -9.530 6.508 1.576 1.00 0.28 C ATOM 360 C LYS A 230 -8.470 5.890 2.475 1.00 0.24 C ATOM 361 O LYS A 230 -8.038 6.501 3.453 1.00 0.28 O ATOM 362 CB LYS A 230 -9.074 7.881 1.057 1.00 0.36 C ATOM 363 CG LYS A 230 -10.090 8.572 0.154 1.00 1.00 C ATOM 364 CD LYS A 230 -10.842 9.682 0.875 1.00 1.23 C ATOM 365 CE LYS A 230 -9.926 10.841 1.231 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.405 11.537 0.023 1.00 2.24 N ATOM 0 H LYS A 230 -11.501 5.949 1.969 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.682 5.877 0.700 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.861 8.527 1.908 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.140 7.759 0.509 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.578 8.987 -0.714 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.802 7.836 -0.218 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.655 10.041 0.243 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -11.296 9.284 1.783 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -10.469 11.553 1.853 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -9.090 10.472 1.825 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -8.987 12.448 0.300 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -8.679 10.947 -0.432 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.185 11.703 -0.645 1.00 2.24 H new ATOM 380 N ILE A 231 -8.152 4.628 2.229 1.00 0.20 N ATOM 381 CA ILE A 231 -7.265 3.909 3.130 1.00 0.17 C ATOM 382 C ILE A 231 -5.804 4.125 2.750 1.00 0.16 C ATOM 383 O ILE A 231 -5.420 4.005 1.594 1.00 0.17 O ATOM 384 CB ILE A 231 -7.575 2.395 3.166 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.614 1.694 4.137 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.442 1.796 1.779 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.752 0.192 4.179 1.00 0.19 C ATOM 0 H ILE A 231 -8.487 4.090 1.430 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.439 4.314 4.127 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.600 2.252 3.508 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.590 1.944 3.859 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.778 2.089 5.139 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.663 0.730 1.821 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.142 2.286 1.102 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.425 1.942 1.416 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -6.036 -0.219 4.890 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.763 -0.072 4.489 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.557 -0.219 3.189 1.00 0.19 H new ATOM 399 N ARG A 232 -5.008 4.496 3.732 1.00 0.17 N ATOM 400 CA ARG A 232 -3.598 4.756 3.513 1.00 0.17 C ATOM 401 C ARG A 232 -2.785 3.476 3.662 1.00 0.15 C ATOM 402 O ARG A 232 -2.962 2.740 4.634 1.00 0.19 O ATOM 403 CB ARG A 232 -3.117 5.806 4.508 1.00 0.22 C ATOM 404 CG ARG A 232 -3.667 7.199 4.242 1.00 0.34 C ATOM 405 CD ARG A 232 -2.940 8.258 5.058 1.00 0.77 C ATOM 406 NE ARG A 232 -3.125 8.077 6.497 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.630 8.902 7.417 1.00 2.13 C ATOM 408 NH1 ARG A 232 -1.811 9.890 7.064 1.00 2.48 N ATOM 409 NH2 ARG A 232 -2.921 8.710 8.696 1.00 3.14 N ATOM 0 H ARG A 232 -5.315 4.625 4.696 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.459 5.128 2.498 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.403 5.498 5.514 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.028 5.844 4.484 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.574 7.430 3.181 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.730 7.222 4.481 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -1.876 8.226 4.824 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.300 9.246 4.770 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.665 7.272 6.814 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -1.559 10.018 6.084 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -1.435 10.519 7.774 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.522 7.933 8.971 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -2.544 9.339 9.405 1.00 3.14 H new ATOM 423 N LEU A 233 -1.868 3.215 2.730 1.00 0.13 N ATOM 424 CA LEU A 233 -1.028 2.048 2.835 1.00 0.14 C ATOM 425 C LEU A 233 0.267 2.456 3.496 1.00 0.13 C ATOM 426 O LEU A 233 1.137 3.041 2.854 1.00 0.13 O ATOM 427 CB LEU A 233 -0.777 1.436 1.449 1.00 0.15 C ATOM 428 CG LEU A 233 -1.855 0.454 0.945 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.240 1.083 0.952 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.517 -0.041 -0.451 1.00 0.23 C ATOM 0 H LEU A 233 -1.698 3.795 1.908 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.519 1.284 3.438 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.684 2.246 0.726 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.181 0.916 1.470 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.867 -0.392 1.632 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.970 0.359 0.590 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.498 1.383 1.968 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.245 1.959 0.303 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.289 -0.732 -0.789 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.464 0.806 -1.135 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.555 -0.553 -0.433 1.00 0.23 H new ATOM 442 N THR A 234 0.297 2.320 4.811 1.00 0.14 N ATOM 443 CA THR A 234 1.405 2.807 5.607 1.00 0.16 C ATOM 444 C THR A 234 2.500 1.757 5.715 1.00 0.16 C ATOM 445 O THR A 234 2.218 0.564 5.858 1.00 0.22 O ATOM 446 CB THR A 234 0.934 3.203 7.020 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.235 4.030 6.930 1.00 0.33 O ATOM 448 CG2 THR A 234 2.032 3.947 7.766 1.00 0.24 C ATOM 0 H THR A 234 -0.442 1.871 5.352 1.00 0.14 H new ATOM 0 HA THR A 234 1.806 3.688 5.105 1.00 0.16 H new ATOM 0 HB THR A 234 0.695 2.293 7.571 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.531 4.277 7.831 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.678 4.217 8.761 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.910 3.307 7.855 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.296 4.851 7.218 1.00 0.24 H new ATOM 456 N VAL A 235 3.742 2.201 5.587 1.00 0.14 N ATOM 457 CA VAL A 235 4.900 1.321 5.648 1.00 0.14 C ATOM 458 C VAL A 235 6.086 2.081 6.215 1.00 0.14 C ATOM 459 O VAL A 235 6.283 3.242 5.888 1.00 0.16 O ATOM 460 CB VAL A 235 5.286 0.793 4.250 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.204 -0.105 3.694 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.518 1.954 3.309 1.00 0.14 C ATOM 0 H VAL A 235 3.975 3.183 5.438 1.00 0.14 H new ATOM 0 HA VAL A 235 4.639 0.476 6.284 1.00 0.14 H new ATOM 0 HB VAL A 235 6.203 0.211 4.345 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.500 -0.464 2.708 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.058 -0.955 4.361 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.273 0.455 3.611 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.790 1.575 2.324 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.607 2.547 3.231 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.325 2.578 3.693 1.00 0.14 H new ATOM 472 N GLU A 236 6.961 1.394 6.912 1.00 0.13 N ATOM 473 CA GLU A 236 8.208 1.994 7.305 1.00 0.13 C ATOM 474 C GLU A 236 9.216 1.657 6.235 1.00 0.13 C ATOM 475 O GLU A 236 9.479 0.490 5.989 1.00 0.17 O ATOM 476 CB GLU A 236 8.670 1.455 8.661 1.00 0.18 C ATOM 477 CG GLU A 236 9.803 2.255 9.278 1.00 0.29 C ATOM 478 CD GLU A 236 10.136 1.813 10.686 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.482 0.630 10.880 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.048 2.650 11.609 1.00 1.05 O ATOM 0 H GLU A 236 6.832 0.429 7.215 1.00 0.13 H new ATOM 0 HA GLU A 236 8.096 3.073 7.410 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.824 1.450 9.348 1.00 0.18 H new ATOM 0 HB3 GLU A 236 8.990 0.420 8.541 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.691 2.160 8.653 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.532 3.311 9.288 1.00 0.29 H new ATOM 487 N LEU A 237 9.610 2.646 5.461 1.00 0.13 N ATOM 488 CA LEU A 237 10.470 2.397 4.322 1.00 0.15 C ATOM 489 C LEU A 237 11.907 2.195 4.754 1.00 0.17 C ATOM 490 O LEU A 237 12.369 2.817 5.700 1.00 0.19 O ATOM 491 CB LEU A 237 10.403 3.548 3.327 1.00 0.17 C ATOM 492 CG LEU A 237 9.448 3.351 2.155 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.513 4.555 1.236 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.792 2.090 1.384 1.00 0.55 C ATOM 0 H LEU A 237 9.351 3.623 5.597 1.00 0.13 H new ATOM 0 HA LEU A 237 10.113 1.486 3.842 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.111 4.451 3.863 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.404 3.722 2.932 1.00 0.17 H new ATOM 0 HG LEU A 237 8.436 3.247 2.545 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.829 4.411 0.399 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.227 5.450 1.788 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.529 4.670 0.859 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.097 1.971 0.553 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.809 2.165 0.999 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.717 1.227 2.046 1.00 0.55 H new ATOM 506 N ALA A 238 12.626 1.420 3.970 1.00 0.19 N ATOM 507 CA ALA A 238 14.064 1.280 4.114 1.00 0.21 C ATOM 508 C ALA A 238 14.734 2.348 3.263 1.00 0.23 C ATOM 509 O ALA A 238 15.726 2.957 3.657 1.00 0.28 O ATOM 510 CB ALA A 238 14.500 -0.107 3.673 1.00 0.25 C ATOM 0 H ALA A 238 12.230 0.866 3.211 1.00 0.19 H new ATOM 0 HA ALA A 238 14.353 1.406 5.157 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.580 -0.202 3.785 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.004 -0.857 4.289 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.229 -0.259 2.628 1.00 0.25 H new ATOM 516 N ASP A 239 14.108 2.621 2.123 1.00 0.22 N ATOM 517 CA ASP A 239 14.555 3.676 1.214 1.00 0.25 C ATOM 518 C ASP A 239 14.254 5.048 1.794 1.00 0.25 C ATOM 519 O ASP A 239 15.010 5.995 1.597 1.00 0.34 O ATOM 520 CB ASP A 239 13.873 3.545 -0.148 1.00 0.31 C ATOM 521 CG ASP A 239 14.515 2.493 -1.030 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.431 1.795 -0.554 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.101 2.352 -2.200 1.00 1.19 O ATOM 0 H ASP A 239 13.279 2.120 1.802 1.00 0.22 H new ATOM 0 HA ASP A 239 15.632 3.567 1.087 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.822 3.296 -0.000 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.904 4.508 -0.658 1.00 0.31 H new ATOM 528 N HIS A 240 13.126 5.131 2.500 1.00 0.27 N ATOM 529 CA HIS A 240 12.657 6.363 3.156 1.00 0.39 C ATOM 530 C HIS A 240 12.072 7.354 2.157 1.00 0.47 C ATOM 531 O HIS A 240 10.878 7.653 2.195 1.00 0.70 O ATOM 532 CB HIS A 240 13.772 7.050 3.957 1.00 0.46 C ATOM 533 CG HIS A 240 14.348 6.217 5.056 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.166 4.916 5.372 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.256 6.706 5.966 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.964 4.641 6.456 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.610 5.743 6.793 1.00 0.48 N flip ATOM 0 H HIS A 240 12.501 4.337 2.637 1.00 0.27 H new ATOM 0 HA HIS A 240 11.871 6.053 3.845 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.573 7.331 3.273 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.379 7.972 4.385 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.550 4.259 4.894 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.622 7.722 5.998 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.049 3.684 6.950 1.00 0.57 H new ATOM 546 N ASP A 241 12.902 7.872 1.265 1.00 0.41 N ATOM 547 CA ASP A 241 12.435 8.856 0.304 1.00 0.51 C ATOM 548 C ASP A 241 12.534 8.324 -1.110 1.00 0.44 C ATOM 549 O ASP A 241 13.008 9.002 -2.020 1.00 0.78 O ATOM 550 CB ASP A 241 13.196 10.175 0.432 1.00 0.80 C ATOM 551 CG ASP A 241 12.439 11.327 -0.204 1.00 1.53 C ATOM 552 OD1 ASP A 241 11.322 11.643 0.255 1.00 2.22 O ATOM 553 OD2 ASP A 241 12.964 11.926 -1.169 1.00 2.08 O ATOM 0 H ASP A 241 13.890 7.631 1.187 1.00 0.41 H new ATOM 0 HA ASP A 241 11.386 9.052 0.527 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.371 10.393 1.486 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.174 10.078 -0.040 1.00 0.80 H new ATOM 558 N ALA A 242 11.976 7.153 -1.307 1.00 0.33 N ATOM 559 CA ALA A 242 11.860 6.591 -2.635 1.00 0.30 C ATOM 560 C ALA A 242 10.407 6.439 -3.010 1.00 0.24 C ATOM 561 O ALA A 242 9.546 6.250 -2.145 1.00 0.28 O ATOM 562 CB ALA A 242 12.554 5.257 -2.728 1.00 0.38 C ATOM 0 H ALA A 242 11.594 6.568 -0.564 1.00 0.33 H new ATOM 0 HA ALA A 242 12.344 7.276 -3.331 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.448 4.862 -3.738 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.612 5.380 -2.495 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.105 4.563 -2.018 1.00 0.38 H new ATOM 568 N GLU A 243 10.141 6.509 -4.296 1.00 0.26 N ATOM 569 CA GLU A 243 8.800 6.361 -4.803 1.00 0.30 C ATOM 570 C GLU A 243 8.362 4.921 -4.634 1.00 0.25 C ATOM 571 O GLU A 243 8.991 4.006 -5.173 1.00 0.25 O ATOM 572 CB GLU A 243 8.746 6.751 -6.283 1.00 0.39 C ATOM 573 CG GLU A 243 9.456 8.064 -6.604 1.00 0.67 C ATOM 574 CD GLU A 243 10.969 7.947 -6.653 1.00 1.10 C ATOM 575 OE1 GLU A 243 11.484 6.812 -6.577 1.00 1.64 O ATOM 576 OE2 GLU A 243 11.655 8.988 -6.747 1.00 1.56 O ATOM 0 H GLU A 243 10.847 6.669 -5.015 1.00 0.26 H new ATOM 0 HA GLU A 243 8.130 7.017 -4.247 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.194 5.953 -6.875 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.703 6.829 -6.590 1.00 0.39 H new ATOM 0 HG2 GLU A 243 9.098 8.434 -7.565 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.183 8.807 -5.855 1.00 0.67 H new ATOM 583 N VAL A 244 7.312 4.715 -3.862 1.00 0.24 N ATOM 584 CA VAL A 244 6.830 3.375 -3.608 1.00 0.21 C ATOM 585 C VAL A 244 5.717 3.014 -4.575 1.00 0.20 C ATOM 586 O VAL A 244 4.689 3.689 -4.646 1.00 0.23 O ATOM 587 CB VAL A 244 6.354 3.190 -2.140 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.546 3.254 -1.196 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.295 4.232 -1.742 1.00 0.27 C ATOM 0 H VAL A 244 6.781 5.455 -3.403 1.00 0.24 H new ATOM 0 HA VAL A 244 7.670 2.698 -3.765 1.00 0.21 H new ATOM 0 HB VAL A 244 5.885 2.209 -2.063 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.204 3.124 -0.169 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.252 2.462 -1.447 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.037 4.222 -1.295 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.991 4.065 -0.709 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.715 5.233 -1.840 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.428 4.137 -2.395 1.00 0.27 H new ATOM 599 N LYS A 245 5.912 1.913 -5.274 1.00 0.18 N ATOM 600 CA LYS A 245 4.890 1.368 -6.141 1.00 0.19 C ATOM 601 C LYS A 245 4.242 0.213 -5.409 1.00 0.15 C ATOM 602 O LYS A 245 4.782 -0.257 -4.417 1.00 0.16 O ATOM 603 CB LYS A 245 5.495 0.911 -7.467 1.00 0.30 C ATOM 604 CG LYS A 245 6.096 2.041 -8.284 1.00 0.89 C ATOM 605 CD LYS A 245 6.710 1.528 -9.575 1.00 1.51 C ATOM 606 CE LYS A 245 5.679 0.820 -10.436 1.00 2.00 C ATOM 607 NZ LYS A 245 6.245 0.386 -11.738 1.00 2.79 N ATOM 0 H LYS A 245 6.778 1.375 -5.256 1.00 0.18 H new ATOM 0 HA LYS A 245 4.144 2.127 -6.379 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.267 0.168 -7.267 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.723 0.418 -8.058 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.324 2.776 -8.514 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.858 2.552 -7.695 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.140 2.361 -10.131 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.526 0.843 -9.345 1.00 1.51 H new ATOM 0 HE2 LYS A 245 5.294 -0.048 -9.901 1.00 2.00 H new ATOM 0 HE3 LYS A 245 4.834 1.486 -10.612 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 5.508 -0.093 -12.295 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 6.589 1.216 -12.261 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 7.035 -0.270 -11.572 1.00 2.79 H new ATOM 621 N TRP A 246 3.007 -0.088 -5.700 1.00 0.14 N ATOM 622 CA TRP A 246 2.315 -1.081 -4.902 1.00 0.13 C ATOM 623 C TRP A 246 1.665 -2.099 -5.811 1.00 0.14 C ATOM 624 O TRP A 246 1.797 -2.021 -7.023 1.00 0.14 O ATOM 625 CB TRP A 246 1.332 -0.434 -3.903 1.00 0.14 C ATOM 626 CG TRP A 246 2.012 0.564 -2.993 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.625 1.716 -3.384 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.181 0.504 -1.560 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.169 2.357 -2.311 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.910 1.651 -1.186 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.798 -0.385 -0.555 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.260 1.928 0.126 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.154 -0.096 0.755 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.874 1.052 1.076 1.00 0.15 C ATOM 0 H TRP A 246 2.465 0.322 -6.460 1.00 0.14 H new ATOM 0 HA TRP A 246 3.039 -1.610 -4.282 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.534 0.064 -4.453 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.865 -1.213 -3.300 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.673 2.072 -4.403 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.690 3.233 -2.350 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.237 -1.277 -0.791 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.822 2.815 0.379 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 1.866 -0.776 1.543 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.129 1.245 2.108 1.00 0.15 H new ATOM 645 N LEU A 247 1.222 -3.184 -5.250 1.00 0.15 N ATOM 646 CA LEU A 247 0.730 -4.283 -6.048 1.00 0.14 C ATOM 647 C LEU A 247 -0.677 -4.637 -5.591 1.00 0.15 C ATOM 648 O LEU A 247 -0.911 -4.806 -4.415 1.00 0.16 O ATOM 649 CB LEU A 247 1.676 -5.485 -5.880 1.00 0.15 C ATOM 650 CG LEU A 247 2.500 -5.930 -7.096 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.839 -7.112 -7.795 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.711 -4.779 -8.063 1.00 0.17 C ATOM 0 H LEU A 247 1.188 -3.339 -4.242 1.00 0.15 H new ATOM 0 HA LEU A 247 0.697 -4.006 -7.102 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.371 -5.253 -5.073 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.079 -6.336 -5.552 1.00 0.15 H new ATOM 0 HG LEU A 247 3.479 -6.251 -6.739 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.441 -7.410 -8.654 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.760 -7.948 -7.100 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.843 -6.825 -8.132 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.298 -5.122 -8.915 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.745 -4.415 -8.411 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.242 -3.972 -7.558 1.00 0.17 H new ATOM 664 N LYS A 248 -1.568 -4.891 -6.515 1.00 0.19 N ATOM 665 CA LYS A 248 -2.853 -5.470 -6.158 1.00 0.25 C ATOM 666 C LYS A 248 -2.687 -6.967 -6.336 1.00 0.25 C ATOM 667 O LYS A 248 -1.792 -7.353 -7.075 1.00 0.21 O ATOM 668 CB LYS A 248 -3.960 -4.926 -7.071 1.00 0.34 C ATOM 669 CG LYS A 248 -5.358 -5.409 -6.725 1.00 0.77 C ATOM 670 CD LYS A 248 -6.407 -4.655 -7.528 1.00 0.95 C ATOM 671 CE LYS A 248 -7.821 -5.074 -7.157 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.163 -6.424 -7.675 1.00 2.06 N ATOM 0 H LYS A 248 -1.437 -4.711 -7.511 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.143 -5.220 -5.137 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.945 -3.837 -7.029 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.736 -5.208 -8.100 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.438 -6.477 -6.927 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.541 -5.271 -5.659 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.291 -3.584 -7.360 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.244 -4.831 -8.591 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.927 -5.066 -6.072 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.529 -4.345 -7.552 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.136 -6.666 -7.397 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.088 -6.427 -8.712 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.505 -7.125 -7.278 1.00 2.06 H new ATOM 686 N ASN A 249 -3.313 -7.800 -5.508 1.00 0.34 N ATOM 687 CA ASN A 249 -2.966 -9.224 -5.542 1.00 0.40 C ATOM 688 C ASN A 249 -2.944 -9.731 -6.981 1.00 0.35 C ATOM 689 O ASN A 249 -3.919 -9.594 -7.718 1.00 0.35 O ATOM 690 CB ASN A 249 -3.867 -10.099 -4.639 1.00 0.61 C ATOM 691 CG ASN A 249 -5.308 -10.262 -5.097 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.235 -9.927 -4.226 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.593 -10.743 -6.191 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.031 -7.535 -4.834 1.00 0.34 H new ATOM 0 HA ASN A 249 -1.964 -9.315 -5.123 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.417 -11.089 -4.560 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -3.871 -9.669 -3.637 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -4.853 -10.993 -6.847 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.570 -10.892 -6.444 1.00 1.19 H new ATOM 700 N GLY A 250 -1.739 -10.056 -7.430 1.00 0.35 N ATOM 701 CA GLY A 250 -1.510 -10.387 -8.819 1.00 0.35 C ATOM 702 C GLY A 250 -1.189 -9.187 -9.705 1.00 0.33 C ATOM 703 O GLY A 250 -0.242 -9.248 -10.492 1.00 0.39 O ATOM 0 H GLY A 250 -0.905 -10.096 -6.844 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.687 -11.099 -8.880 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.395 -10.888 -9.212 1.00 0.35 H new ATOM 707 N GLN A 251 -1.997 -8.131 -9.658 1.00 0.30 N ATOM 708 CA GLN A 251 -1.790 -7.007 -10.577 1.00 0.36 C ATOM 709 C GLN A 251 -0.959 -5.890 -9.976 1.00 0.25 C ATOM 710 O GLN A 251 -0.714 -5.834 -8.780 1.00 0.28 O ATOM 711 CB GLN A 251 -3.087 -6.407 -11.094 1.00 0.52 C ATOM 712 CG GLN A 251 -3.952 -7.361 -11.907 1.00 1.28 C ATOM 713 CD GLN A 251 -4.743 -8.323 -11.043 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.528 -7.908 -10.191 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.541 -9.612 -11.250 1.00 2.59 N ATOM 0 H GLN A 251 -2.781 -8.026 -9.014 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.245 -7.452 -11.410 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.668 -6.046 -10.245 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -2.850 -5.540 -11.710 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.641 -6.783 -12.523 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.317 -7.929 -12.587 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.882 -9.916 -11.966 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -5.044 -10.303 -10.694 1.00 2.59 H new ATOM 724 N GLU A 252 -0.436 -5.058 -10.844 1.00 0.26 N ATOM 725 CA GLU A 252 0.493 -4.033 -10.438 1.00 0.25 C ATOM 726 C GLU A 252 -0.180 -2.691 -10.194 1.00 0.27 C ATOM 727 O GLU A 252 -1.061 -2.268 -10.943 1.00 0.32 O ATOM 728 CB GLU A 252 1.595 -3.942 -11.464 1.00 0.32 C ATOM 729 CG GLU A 252 2.329 -5.261 -11.591 1.00 0.60 C ATOM 730 CD GLU A 252 1.737 -6.195 -12.630 1.00 1.05 C ATOM 731 OE1 GLU A 252 0.702 -5.839 -13.227 1.00 1.49 O ATOM 732 OE2 GLU A 252 2.292 -7.292 -12.851 1.00 1.60 O ATOM 0 H GLU A 252 -0.640 -5.072 -11.843 1.00 0.26 H new ATOM 0 HA GLU A 252 0.921 -4.311 -9.475 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.175 -3.661 -12.430 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.296 -3.157 -11.181 1.00 0.32 H new ATOM 0 HG2 GLU A 252 3.370 -5.063 -11.845 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.327 -5.762 -10.623 1.00 0.60 H new ATOM 739 N ILE A 253 0.189 -2.080 -9.080 1.00 0.23 N ATOM 740 CA ILE A 253 -0.412 -0.843 -8.626 1.00 0.27 C ATOM 741 C ILE A 253 0.593 0.316 -8.675 1.00 0.28 C ATOM 742 O ILE A 253 1.668 0.276 -8.065 1.00 0.28 O ATOM 743 CB ILE A 253 -0.980 -1.056 -7.205 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.417 -1.554 -7.279 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.883 0.182 -6.337 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.987 -1.913 -5.930 1.00 0.33 C ATOM 0 H ILE A 253 0.920 -2.434 -8.463 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.228 -0.568 -9.294 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.361 -1.815 -6.727 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.039 -0.785 -7.737 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.460 -2.428 -7.929 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.298 -0.031 -5.352 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.162 0.474 -6.235 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.443 0.995 -6.799 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.013 -2.261 -6.049 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.386 -2.703 -5.480 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.974 -1.035 -5.284 1.00 0.33 H new ATOM 758 N GLN A 254 0.267 1.314 -9.479 1.00 0.36 N ATOM 759 CA GLN A 254 1.157 2.444 -9.684 1.00 0.43 C ATOM 760 C GLN A 254 0.960 3.505 -8.602 1.00 0.61 C ATOM 761 O GLN A 254 0.848 3.189 -7.418 1.00 1.42 O ATOM 762 CB GLN A 254 0.926 3.047 -11.076 1.00 0.70 C ATOM 763 CG GLN A 254 1.073 2.043 -12.210 1.00 1.00 C ATOM 764 CD GLN A 254 2.414 1.333 -12.189 1.00 1.75 C ATOM 765 OE1 GLN A 254 3.467 1.963 -12.270 1.00 2.63 O ATOM 766 NE2 GLN A 254 2.380 0.013 -12.079 1.00 2.21 N ATOM 0 H GLN A 254 -0.608 1.365 -10.001 1.00 0.36 H new ATOM 0 HA GLN A 254 2.185 2.087 -9.617 1.00 0.43 H new ATOM 0 HB2 GLN A 254 -0.074 3.480 -11.113 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.633 3.862 -11.231 1.00 0.70 H new ATOM 0 HG2 GLN A 254 0.274 1.305 -12.143 1.00 1.00 H new ATOM 0 HG3 GLN A 254 0.953 2.557 -13.164 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.484 -0.470 -12.014 1.00 2.21 H new ATOM 0 HE22 GLN A 254 3.250 -0.520 -12.059 1.00 2.21 H new ATOM 775 N MET A 255 0.888 4.756 -9.028 1.00 0.59 N ATOM 776 CA MET A 255 0.690 5.883 -8.133 1.00 0.61 C ATOM 777 C MET A 255 -0.045 6.978 -8.888 1.00 0.65 C ATOM 778 O MET A 255 0.120 7.105 -10.102 1.00 0.95 O ATOM 779 CB MET A 255 2.038 6.396 -7.608 1.00 0.95 C ATOM 780 CG MET A 255 3.005 6.819 -8.707 1.00 1.58 C ATOM 781 SD MET A 255 4.631 7.273 -8.074 1.00 2.30 S ATOM 782 CE MET A 255 5.165 5.717 -7.362 1.00 2.61 C ATOM 0 H MET A 255 0.966 5.019 -10.011 1.00 0.59 H new ATOM 0 HA MET A 255 0.098 5.572 -7.273 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.861 7.244 -6.947 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.504 5.615 -7.007 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.114 6.004 -9.422 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.583 7.665 -9.250 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.127 5.782 -6.275 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.507 4.917 -7.701 1.00 2.61 H new ATOM 0 HE3 MET A 255 6.187 5.504 -7.677 1.00 2.61 H new ATOM 792 N SER A 256 -0.988 7.630 -8.228 1.00 0.57 N ATOM 793 CA SER A 256 -1.873 8.547 -8.920 1.00 0.69 C ATOM 794 C SER A 256 -2.465 9.581 -7.964 1.00 1.00 C ATOM 795 O SER A 256 -1.972 9.771 -6.848 1.00 1.47 O ATOM 796 CB SER A 256 -2.995 7.739 -9.582 1.00 0.76 C ATOM 797 OG SER A 256 -3.716 8.504 -10.535 1.00 1.64 O ATOM 0 H SER A 256 -1.158 7.542 -7.226 1.00 0.57 H new ATOM 0 HA SER A 256 -1.301 9.089 -9.674 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.570 6.862 -10.070 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.680 7.377 -8.816 1.00 0.76 H new ATOM 0 HG SER A 256 -4.420 7.951 -10.934 1.00 1.64 H new ATOM 803 N GLY A 257 -3.501 10.268 -8.430 1.00 1.01 N ATOM 804 CA GLY A 257 -4.161 11.280 -7.635 1.00 1.41 C ATOM 805 C GLY A 257 -5.439 10.760 -7.016 1.00 1.28 C ATOM 806 O GLY A 257 -5.816 11.165 -5.920 1.00 1.69 O ATOM 0 H GLY A 257 -3.899 10.137 -9.360 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.488 11.621 -6.848 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.385 12.145 -8.260 1.00 1.41 H new ATOM 810 N SER A 258 -6.118 9.880 -7.735 1.00 1.07 N ATOM 811 CA SER A 258 -7.350 9.282 -7.250 1.00 0.96 C ATOM 812 C SER A 258 -7.041 8.092 -6.343 1.00 0.74 C ATOM 813 O SER A 258 -6.904 8.241 -5.129 1.00 1.14 O ATOM 814 CB SER A 258 -8.209 8.854 -8.441 1.00 1.08 C ATOM 815 OG SER A 258 -7.409 8.263 -9.455 1.00 1.77 O ATOM 0 H SER A 258 -5.834 9.563 -8.662 1.00 1.07 H new ATOM 0 HA SER A 258 -7.903 10.015 -6.663 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.968 8.145 -8.111 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.735 9.719 -8.845 1.00 1.08 H new ATOM 0 HG SER A 258 -7.978 7.995 -10.206 1.00 1.77 H new ATOM 821 N LYS A 259 -6.768 6.951 -6.955 1.00 0.51 N ATOM 822 CA LYS A 259 -6.285 5.791 -6.227 1.00 0.37 C ATOM 823 C LYS A 259 -4.769 5.833 -6.165 1.00 0.33 C ATOM 824 O LYS A 259 -4.136 6.467 -7.009 1.00 0.45 O ATOM 825 CB LYS A 259 -6.726 4.485 -6.899 1.00 0.48 C ATOM 826 CG LYS A 259 -8.213 4.185 -6.806 1.00 1.11 C ATOM 827 CD LYS A 259 -8.528 2.823 -7.411 1.00 1.59 C ATOM 828 CE LYS A 259 -9.986 2.435 -7.227 1.00 2.02 C ATOM 829 NZ LYS A 259 -10.270 1.075 -7.760 1.00 2.41 N ATOM 0 H LYS A 259 -6.874 6.804 -7.959 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.708 5.819 -5.223 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.443 4.522 -7.951 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.175 3.659 -6.450 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.529 4.207 -5.763 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.778 4.959 -7.326 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.289 2.836 -8.474 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.892 2.067 -6.950 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.240 2.470 -6.168 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.622 3.163 -7.731 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -10.872 1.152 -8.605 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.376 0.608 -8.013 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -10.761 0.514 -7.035 1.00 2.41 H new ATOM 843 N TYR A 260 -4.192 5.089 -5.226 1.00 0.24 N ATOM 844 CA TYR A 260 -2.738 4.953 -5.130 1.00 0.27 C ATOM 845 C TYR A 260 -2.070 6.315 -4.938 1.00 0.27 C ATOM 846 O TYR A 260 -1.169 6.694 -5.684 1.00 0.29 O ATOM 847 CB TYR A 260 -2.167 4.264 -6.379 1.00 0.33 C ATOM 848 CG TYR A 260 -3.050 3.175 -6.954 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.695 2.255 -6.134 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.249 3.083 -8.325 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.510 1.275 -6.667 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.063 2.107 -8.862 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.691 1.207 -8.031 1.00 0.95 C ATOM 854 OH TYR A 260 -5.502 0.233 -8.567 1.00 1.24 O ATOM 0 H TYR A 260 -4.709 4.569 -4.517 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.524 4.334 -4.259 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.994 5.018 -7.147 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.197 3.834 -6.130 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.557 2.308 -5.064 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.759 3.787 -8.982 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.003 0.566 -6.018 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.207 2.049 -9.931 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.523 0.325 -9.542 1.00 1.24 H new ATOM 864 N ILE A 261 -2.527 7.042 -3.938 1.00 0.26 N ATOM 865 CA ILE A 261 -1.996 8.361 -3.632 1.00 0.27 C ATOM 866 C ILE A 261 -0.736 8.249 -2.777 1.00 0.28 C ATOM 867 O ILE A 261 -0.791 7.793 -1.637 1.00 0.35 O ATOM 868 CB ILE A 261 -3.041 9.187 -2.864 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.272 9.446 -3.727 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.447 10.489 -2.376 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.363 10.197 -2.995 1.00 0.39 C ATOM 0 H ILE A 261 -3.275 6.739 -3.314 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.753 8.852 -4.574 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.352 8.609 -1.994 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.977 10.014 -4.609 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.668 8.494 -4.079 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.206 11.055 -1.836 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.609 10.280 -1.711 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.098 11.072 -3.228 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.211 10.350 -3.663 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.684 9.619 -2.128 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.982 11.164 -2.666 1.00 0.39 H new ATOM 883 N PHE A 262 0.394 8.677 -3.313 1.00 0.30 N ATOM 884 CA PHE A 262 1.652 8.610 -2.577 1.00 0.32 C ATOM 885 C PHE A 262 1.698 9.632 -1.438 1.00 0.30 C ATOM 886 O PHE A 262 1.185 10.747 -1.560 1.00 0.37 O ATOM 887 CB PHE A 262 2.854 8.778 -3.521 1.00 0.46 C ATOM 888 CG PHE A 262 2.693 9.843 -4.577 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.455 11.165 -4.235 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.787 9.512 -5.920 1.00 0.84 C ATOM 891 CE1 PHE A 262 2.315 12.132 -5.210 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.648 10.477 -6.898 1.00 1.09 C ATOM 893 CZ PHE A 262 2.413 11.789 -6.543 1.00 1.18 C ATOM 0 H PHE A 262 0.470 9.073 -4.250 1.00 0.30 H new ATOM 0 HA PHE A 262 1.713 7.619 -2.126 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.736 9.010 -2.924 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.045 7.825 -4.014 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.378 11.442 -3.194 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.971 8.487 -6.205 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.129 13.158 -4.929 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.723 10.205 -7.940 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.306 12.546 -7.306 1.00 1.18 H new ATOM 903 N GLU A 263 2.252 9.207 -0.307 1.00 0.26 N ATOM 904 CA GLU A 263 2.346 10.043 0.882 1.00 0.30 C ATOM 905 C GLU A 263 3.572 9.636 1.698 1.00 0.28 C ATOM 906 O GLU A 263 3.916 8.454 1.760 1.00 0.33 O ATOM 907 CB GLU A 263 1.071 9.909 1.722 1.00 0.37 C ATOM 908 CG GLU A 263 1.047 10.795 2.957 1.00 0.56 C ATOM 909 CD GLU A 263 -0.293 10.777 3.664 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.319 11.085 3.023 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.332 10.429 4.861 1.00 1.73 O ATOM 0 H GLU A 263 2.648 8.274 -0.190 1.00 0.26 H new ATOM 0 HA GLU A 263 2.452 11.086 0.583 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.210 10.150 1.098 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.960 8.870 2.031 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.823 10.467 3.649 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.288 11.818 2.670 1.00 0.56 H new ATOM 918 N SER A 264 4.291 10.619 2.225 1.00 0.34 N ATOM 919 CA SER A 264 5.531 10.357 2.940 1.00 0.36 C ATOM 920 C SER A 264 5.450 10.862 4.378 1.00 0.34 C ATOM 921 O SER A 264 5.167 12.040 4.615 1.00 0.39 O ATOM 922 CB SER A 264 6.689 11.049 2.227 1.00 0.46 C ATOM 923 OG SER A 264 6.640 10.826 0.828 1.00 1.41 O ATOM 0 H SER A 264 4.036 11.605 2.170 1.00 0.34 H new ATOM 0 HA SER A 264 5.694 9.279 2.958 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.655 12.120 2.428 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.635 10.680 2.623 1.00 0.46 H new ATOM 0 HG SER A 264 7.393 11.282 0.397 1.00 1.41 H new ATOM 929 N ILE A 265 5.703 9.980 5.337 1.00 0.31 N ATOM 930 CA ILE A 265 5.675 10.364 6.742 1.00 0.34 C ATOM 931 C ILE A 265 6.911 9.849 7.485 1.00 0.38 C ATOM 932 O ILE A 265 6.927 8.708 7.959 1.00 0.42 O ATOM 933 CB ILE A 265 4.408 9.842 7.456 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.151 10.180 6.648 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.312 10.435 8.855 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.871 9.642 7.251 1.00 1.31 C ATOM 0 H ILE A 265 5.929 9.000 5.169 1.00 0.31 H new ATOM 0 HA ILE A 265 5.668 11.454 6.762 1.00 0.34 H new ATOM 0 HB ILE A 265 4.481 8.757 7.537 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.070 11.263 6.556 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.261 9.782 5.639 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.415 10.060 9.348 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.191 10.149 9.433 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.261 11.522 8.787 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.026 9.923 6.622 1.00 1.31 H new ATOM 0 HD12 ILE A 265 1.929 8.556 7.318 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.735 10.060 8.248 1.00 1.31 H new ATOM 948 N GLY A 266 7.917 10.715 7.621 1.00 0.48 N ATOM 949 CA GLY A 266 9.112 10.386 8.391 1.00 0.65 C ATOM 950 C GLY A 266 9.679 9.024 8.053 1.00 0.86 C ATOM 951 O GLY A 266 9.573 8.096 8.861 1.00 1.93 O ATOM 0 H GLY A 266 7.926 11.647 7.208 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.873 11.145 8.211 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.873 10.420 9.454 1.00 0.65 H new ATOM 955 N ALA A 267 10.138 8.876 6.808 1.00 0.48 N ATOM 956 CA ALA A 267 10.609 7.595 6.270 1.00 0.39 C ATOM 957 C ALA A 267 9.449 6.656 5.972 1.00 0.30 C ATOM 958 O ALA A 267 9.488 5.909 4.997 1.00 0.32 O ATOM 959 CB ALA A 267 11.598 6.909 7.196 1.00 0.44 C ATOM 0 H ALA A 267 10.194 9.645 6.140 1.00 0.48 H new ATOM 0 HA ALA A 267 11.125 7.828 5.338 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.917 5.965 6.753 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.466 7.552 7.343 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.123 6.716 8.158 1.00 0.44 H new ATOM 965 N LYS A 268 8.438 6.661 6.829 1.00 0.26 N ATOM 966 CA LYS A 268 7.303 5.786 6.636 1.00 0.25 C ATOM 967 C LYS A 268 6.498 6.243 5.433 1.00 0.29 C ATOM 968 O LYS A 268 5.986 7.364 5.398 1.00 0.47 O ATOM 969 CB LYS A 268 6.430 5.732 7.888 1.00 0.28 C ATOM 970 CG LYS A 268 7.105 5.048 9.065 1.00 0.30 C ATOM 971 CD LYS A 268 6.244 5.093 10.319 1.00 0.41 C ATOM 972 CE LYS A 268 6.311 6.447 11.015 1.00 1.20 C ATOM 973 NZ LYS A 268 5.640 7.526 10.241 1.00 2.00 N ATOM 0 H LYS A 268 8.385 7.257 7.655 1.00 0.26 H new ATOM 0 HA LYS A 268 7.670 4.777 6.450 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.156 6.747 8.175 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.504 5.207 7.654 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.318 4.010 8.808 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.062 5.530 9.265 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.210 4.873 10.055 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.570 4.315 11.009 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.847 6.369 11.998 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.355 6.717 11.176 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 5.353 8.289 10.887 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.298 7.904 9.530 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 4.800 7.140 9.765 1.00 2.00 H new ATOM 987 N ARG A 269 6.436 5.392 4.428 1.00 0.16 N ATOM 988 CA ARG A 269 5.734 5.726 3.215 1.00 0.16 C ATOM 989 C ARG A 269 4.289 5.294 3.299 1.00 0.18 C ATOM 990 O ARG A 269 3.929 4.403 4.074 1.00 0.17 O ATOM 991 CB ARG A 269 6.385 5.111 1.985 1.00 0.20 C ATOM 992 CG ARG A 269 6.207 5.964 0.746 1.00 0.53 C ATOM 993 CD ARG A 269 7.125 7.177 0.756 1.00 0.79 C ATOM 994 NE ARG A 269 6.946 7.996 -0.437 1.00 0.69 N ATOM 995 CZ ARG A 269 7.910 8.735 -0.993 1.00 0.97 C ATOM 996 NH1 ARG A 269 9.112 8.803 -0.436 1.00 1.85 N ATOM 997 NH2 ARG A 269 7.653 9.449 -2.080 1.00 1.17 N ATOM 0 H ARG A 269 6.864 4.466 4.432 1.00 0.16 H new ATOM 0 HA ARG A 269 5.783 6.810 3.110 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.449 4.968 2.174 1.00 0.20 H new ATOM 0 HB3 ARG A 269 5.958 4.124 1.807 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.409 5.363 -0.141 1.00 0.53 H new ATOM 0 HG3 ARG A 269 5.170 6.294 0.678 1.00 0.53 H new ATOM 0 HD2 ARG A 269 6.926 7.778 1.643 1.00 0.79 H new ATOM 0 HD3 ARG A 269 8.162 6.848 0.820 1.00 0.79 H new ATOM 0 HE ARG A 269 6.025 8.005 -0.875 1.00 0.69 H new ATOM 0 HH11 ARG A 269 9.306 8.289 0.423 1.00 1.85 H new ATOM 0 HH12 ARG A 269 9.842 9.370 -0.867 1.00 1.85 H new ATOM 0 HH21 ARG A 269 6.720 9.434 -2.491 1.00 1.17 H new ATOM 0 HH22 ARG A 269 8.389 10.014 -2.505 1.00 1.17 H new ATOM 1011 N THR A 270 3.449 6.019 2.605 1.00 0.18 N ATOM 1012 CA THR A 270 2.040 5.756 2.625 1.00 0.18 C ATOM 1013 C THR A 270 1.454 5.820 1.225 1.00 0.19 C ATOM 1014 O THR A 270 1.797 6.701 0.433 1.00 0.22 O ATOM 1015 CB THR A 270 1.335 6.758 3.547 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.815 6.589 4.889 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.166 6.576 3.504 1.00 0.24 C ATOM 0 H THR A 270 3.725 6.804 2.014 1.00 0.18 H new ATOM 0 HA THR A 270 1.882 4.748 3.008 1.00 0.18 H new ATOM 0 HB THR A 270 1.559 7.767 3.201 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.367 7.230 5.480 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.639 7.300 4.167 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.522 6.730 2.485 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.420 5.567 3.828 1.00 0.24 H new ATOM 1025 N LEU A 271 0.590 4.869 0.919 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.059 4.821 -0.376 1.00 0.17 C ATOM 1027 C LEU A 271 -1.574 4.870 -0.188 1.00 0.16 C ATOM 1028 O LEU A 271 -2.175 3.909 0.263 1.00 0.17 O ATOM 1029 CB LEU A 271 0.358 3.539 -1.091 1.00 0.20 C ATOM 1030 CG LEU A 271 0.209 3.513 -2.612 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.148 2.982 -3.013 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.459 4.890 -3.205 1.00 0.49 C ATOM 0 H LEU A 271 0.322 4.117 1.554 1.00 0.17 H new ATOM 0 HA LEU A 271 0.240 5.677 -0.981 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.402 3.341 -0.849 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.226 2.716 -0.679 1.00 0.20 H new ATOM 0 HG LEU A 271 0.962 2.836 -3.014 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -1.229 2.974 -4.100 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -1.269 1.968 -2.632 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -1.926 3.621 -2.596 1.00 0.56 H new ATOM 0 HD21 LEU A 271 0.347 4.845 -4.288 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.260 5.599 -2.795 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.470 5.215 -2.958 1.00 0.49 H new ATOM 1044 N THR A 272 -2.165 6.028 -0.407 1.00 0.18 N ATOM 1045 CA THR A 272 -3.578 6.217 -0.122 1.00 0.21 C ATOM 1046 C THR A 272 -4.461 5.662 -1.236 1.00 0.22 C ATOM 1047 O THR A 272 -4.370 6.064 -2.395 1.00 0.29 O ATOM 1048 CB THR A 272 -3.907 7.700 0.111 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.842 8.322 0.848 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.209 7.847 0.883 1.00 0.30 C ATOM 0 H THR A 272 -1.693 6.851 -0.780 1.00 0.18 H new ATOM 0 HA THR A 272 -3.789 5.661 0.791 1.00 0.21 H new ATOM 0 HB THR A 272 -4.018 8.186 -0.858 1.00 0.27 H new ATOM 0 HG1 THR A 272 -3.054 9.268 0.994 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.423 8.905 1.037 1.00 0.30 H new ATOM 0 HG22 THR A 272 -6.021 7.391 0.317 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.117 7.351 1.849 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.345 4.770 -0.852 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.311 4.173 -1.754 1.00 0.26 C ATOM 1060 C ILE A 273 -7.671 4.845 -1.566 1.00 0.28 C ATOM 1061 O ILE A 273 -8.238 4.831 -0.468 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.378 2.632 -1.533 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.645 1.908 -2.653 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.787 2.091 -1.415 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -4.153 1.984 -2.525 1.00 0.86 C ATOM 0 H ILE A 273 -5.417 4.432 0.108 1.00 0.23 H new ATOM 0 HA ILE A 273 -6.001 4.333 -2.786 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.892 2.445 -0.575 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -5.950 0.862 -2.662 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.944 2.335 -3.610 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.751 1.012 -1.263 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -8.287 2.561 -0.568 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.339 2.310 -2.329 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -3.689 1.449 -3.353 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -3.839 3.028 -2.546 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -3.845 1.531 -1.583 1.00 0.86 H new ATOM 1077 N SER A 274 -8.082 5.599 -2.580 1.00 0.33 N ATOM 1078 CA SER A 274 -9.271 6.432 -2.483 1.00 0.39 C ATOM 1079 C SER A 274 -10.401 5.884 -3.342 1.00 0.45 C ATOM 1080 O SER A 274 -10.168 5.494 -4.487 1.00 0.50 O ATOM 1081 CB SER A 274 -8.936 7.856 -2.913 1.00 0.52 C ATOM 1082 OG SER A 274 -7.805 8.340 -2.211 1.00 1.13 O ATOM 0 H SER A 274 -7.606 5.649 -3.481 1.00 0.33 H new ATOM 0 HA SER A 274 -9.605 6.431 -1.446 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.742 7.881 -3.985 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.790 8.507 -2.728 1.00 0.52 H new ATOM 0 HG SER A 274 -7.874 9.312 -2.111 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.608 5.828 -2.767 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.776 5.268 -3.449 1.00 0.62 C ATOM 1090 C GLN A 275 -12.428 3.886 -3.978 1.00 0.62 C ATOM 1091 O GLN A 275 -12.158 3.704 -5.166 1.00 0.74 O ATOM 1092 CB GLN A 275 -13.265 6.191 -4.569 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.662 7.572 -4.073 1.00 0.90 C ATOM 1094 CD GLN A 275 -14.450 8.364 -5.097 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.987 8.602 -6.213 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -15.646 8.787 -4.718 1.00 2.27 N ATOM 0 H GLN A 275 -11.800 6.167 -1.824 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.597 5.180 -2.737 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -12.479 6.292 -5.317 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -14.119 5.730 -5.065 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.257 7.469 -3.165 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.764 8.128 -3.804 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -15.992 8.568 -3.784 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -16.221 9.332 -5.360 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.224 2.976 -3.042 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.638 1.683 -3.332 1.00 0.69 C ATOM 1107 C CYS A 276 -11.899 0.810 -2.139 1.00 0.75 C ATOM 1108 O CYS A 276 -11.024 0.554 -1.311 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.140 1.862 -3.600 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.265 0.386 -4.151 1.00 2.00 S ATOM 0 H CYS A 276 -12.461 3.114 -2.060 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.070 1.220 -4.219 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.014 2.639 -4.354 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.667 2.224 -2.687 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.721 0.019 -5.312 1.00 2.00 H new ATOM 1116 N SER A 277 -13.175 0.673 -1.901 1.00 0.54 N ATOM 1117 CA SER A 277 -13.667 0.140 -0.672 1.00 0.52 C ATOM 1118 C SER A 277 -14.274 -1.241 -0.873 1.00 0.48 C ATOM 1119 O SER A 277 -13.546 -2.197 -1.151 1.00 0.47 O ATOM 1120 CB SER A 277 -14.671 1.116 -0.096 1.00 0.56 C ATOM 1121 OG SER A 277 -15.376 1.786 -1.128 1.00 0.63 O ATOM 0 H SER A 277 -13.905 0.932 -2.565 1.00 0.54 H new ATOM 0 HA SER A 277 -12.844 0.013 0.031 1.00 0.52 H new ATOM 0 HB2 SER A 277 -15.375 0.584 0.544 1.00 0.56 H new ATOM 0 HB3 SER A 277 -14.157 1.845 0.531 1.00 0.56 H new ATOM 0 HG SER A 277 -15.357 2.752 -0.963 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.592 -1.354 -0.664 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.291 -2.638 -0.710 1.00 0.54 C ATOM 1129 C LEU A 278 -16.349 -3.203 -2.129 1.00 0.58 C ATOM 1130 O LEU A 278 -17.428 -3.420 -2.683 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.720 -2.503 -0.161 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.880 -2.663 1.355 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.439 -4.048 1.802 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.105 -1.589 2.099 1.00 0.79 C ATOM 0 H LEU A 278 -16.199 -0.560 -0.459 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.724 -3.328 -0.085 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.105 -1.524 -0.445 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.348 -3.247 -0.652 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.937 -2.547 1.595 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.562 -4.138 2.881 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.048 -4.802 1.303 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.391 -4.198 1.542 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.235 -1.725 3.173 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.047 -1.665 1.849 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.477 -0.606 1.810 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.186 -3.402 -2.717 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.068 -3.906 -4.071 1.00 0.61 C ATOM 1148 C ALA A 279 -13.636 -4.346 -4.315 1.00 0.58 C ATOM 1149 O ALA A 279 -13.381 -5.456 -4.782 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.478 -2.838 -5.075 1.00 0.71 C ATOM 0 H ALA A 279 -14.290 -3.217 -2.266 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.734 -4.759 -4.199 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.383 -3.234 -6.086 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.513 -2.547 -4.895 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -14.832 -1.967 -4.964 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.698 -3.497 -3.915 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.284 -3.812 -4.051 1.00 0.59 C ATOM 1158 C ASP A 280 -10.745 -4.486 -2.793 1.00 0.50 C ATOM 1159 O ASP A 280 -9.542 -4.720 -2.670 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.494 -2.550 -4.371 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.673 -2.107 -5.812 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.422 -2.919 -6.727 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.063 -0.939 -6.036 1.00 1.84 O ATOM 0 H ASP A 280 -12.891 -2.588 -3.495 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.168 -4.515 -4.876 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -10.810 -1.747 -3.705 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.436 -2.727 -4.177 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.667 -4.921 -1.939 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.344 -5.739 -0.775 1.00 0.33 C ATOM 1170 C ASP A 281 -10.691 -7.031 -1.247 1.00 0.34 C ATOM 1171 O ASP A 281 -11.322 -7.823 -1.952 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.638 -6.033 0.001 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.453 -6.926 1.216 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.100 -8.108 1.033 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -12.613 -6.443 2.356 1.00 1.12 O ATOM 0 H ASP A 281 -12.661 -4.715 -2.035 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.651 -5.216 -0.116 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.076 -5.088 0.323 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.353 -6.503 -0.674 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.389 -7.144 -1.017 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.599 -8.230 -1.591 1.00 0.37 C ATOM 1182 C ALA A 282 -7.213 -8.289 -0.951 1.00 0.35 C ATOM 1183 O ALA A 282 -7.090 -8.608 0.226 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.494 -8.050 -3.100 1.00 0.48 C ATOM 0 H ALA A 282 -8.856 -6.497 -0.436 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.099 -9.176 -1.386 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.904 -8.863 -3.523 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.492 -8.060 -3.538 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.011 -7.098 -3.320 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.173 -7.943 -1.713 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.818 -7.870 -1.173 1.00 0.17 C ATOM 1192 C ALA A 283 -3.999 -6.840 -1.937 1.00 0.15 C ATOM 1193 O ALA A 283 -3.993 -6.854 -3.169 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.138 -9.231 -1.222 1.00 0.22 C ATOM 0 H ALA A 283 -6.245 -7.710 -2.703 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.884 -7.562 -0.130 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.130 -9.149 -0.814 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.711 -9.946 -0.632 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.084 -9.574 -2.255 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.253 -6.003 -1.220 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.356 -5.044 -1.862 1.00 0.13 C ATOM 1202 C TYR A 284 -0.917 -5.219 -1.355 1.00 0.14 C ATOM 1203 O TYR A 284 -0.588 -4.845 -0.227 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.803 -3.575 -1.652 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.997 -3.124 -2.487 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.893 -4.058 -3.021 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.241 -1.783 -2.738 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -5.979 -3.653 -3.772 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.329 -1.376 -3.484 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.163 -2.288 -4.026 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.283 -1.912 -4.733 1.00 0.41 O ATOM 0 H TYR A 284 -3.251 -5.969 -0.201 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.397 -5.254 -2.931 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.045 -3.435 -0.599 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.959 -2.922 -1.875 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.732 -5.111 -2.843 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.565 -1.040 -2.341 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.678 -4.380 -4.159 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.514 -0.323 -3.635 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.696 -1.134 -4.303 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.048 -5.688 -2.242 1.00 0.13 N ATOM 1222 CA GLN A 285 1.372 -5.800 -1.976 1.00 0.13 C ATOM 1223 C GLN A 285 2.053 -4.445 -2.166 1.00 0.12 C ATOM 1224 O GLN A 285 1.439 -3.500 -2.658 1.00 0.13 O ATOM 1225 CB GLN A 285 2.023 -6.829 -2.915 1.00 0.12 C ATOM 1226 CG GLN A 285 1.404 -8.215 -2.856 1.00 0.15 C ATOM 1227 CD GLN A 285 0.172 -8.372 -3.728 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.004 -7.495 -4.710 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.604 -9.304 -3.543 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.317 -6.003 -3.174 1.00 0.13 H new ATOM 0 HA GLN A 285 1.497 -6.131 -0.945 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.959 -6.460 -3.939 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.082 -6.907 -2.670 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.150 -8.949 -3.161 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.138 -8.441 -1.823 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.440 -9.960 -2.780 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.413 -9.423 -4.153 1.00 0.18 H new ATOM 1238 N CYS A 286 3.317 -4.355 -1.785 1.00 0.14 N ATOM 1239 CA CYS A 286 4.068 -3.111 -1.926 1.00 0.19 C ATOM 1240 C CYS A 286 5.371 -3.354 -2.629 1.00 0.19 C ATOM 1241 O CYS A 286 5.912 -4.441 -2.539 1.00 0.20 O ATOM 1242 CB CYS A 286 4.341 -2.523 -0.584 1.00 0.28 C ATOM 1243 SG CYS A 286 5.516 -3.452 0.422 1.00 1.00 S ATOM 0 H CYS A 286 3.847 -5.125 -1.376 1.00 0.14 H new ATOM 0 HA CYS A 286 3.468 -2.419 -2.516 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.719 -1.509 -0.717 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.400 -2.444 -0.039 1.00 0.28 H new ATOM 0 HG CYS A 286 6.583 -2.735 0.616 1.00 1.00 H new ATOM 1249 N VAL A 287 5.733 -2.447 -3.516 1.00 0.20 N ATOM 1250 CA VAL A 287 6.777 -2.748 -4.462 1.00 0.21 C ATOM 1251 C VAL A 287 7.673 -1.539 -4.761 1.00 0.22 C ATOM 1252 O VAL A 287 7.219 -0.419 -4.993 1.00 0.24 O ATOM 1253 CB VAL A 287 6.146 -3.341 -5.756 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.672 -3.667 -5.506 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.296 -2.425 -6.964 1.00 0.27 C ATOM 0 H VAL A 287 5.326 -1.515 -3.598 1.00 0.20 H new ATOM 0 HA VAL A 287 7.437 -3.492 -4.016 1.00 0.21 H new ATOM 0 HB VAL A 287 6.691 -4.254 -5.995 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.232 -4.082 -6.413 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.592 -4.395 -4.698 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.140 -2.757 -5.228 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.837 -2.893 -7.835 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.805 -1.473 -6.762 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.354 -2.253 -7.161 1.00 0.27 H new ATOM 1265 N VAL A 288 8.962 -1.787 -4.744 1.00 0.24 N ATOM 1266 CA VAL A 288 9.942 -0.766 -5.049 1.00 0.26 C ATOM 1267 C VAL A 288 11.014 -1.368 -5.945 1.00 0.33 C ATOM 1268 O VAL A 288 11.618 -2.388 -5.597 1.00 0.37 O ATOM 1269 CB VAL A 288 10.576 -0.181 -3.764 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.875 0.534 -4.067 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.618 0.780 -3.083 1.00 0.36 C ATOM 0 H VAL A 288 9.362 -2.698 -4.519 1.00 0.24 H new ATOM 0 HA VAL A 288 9.445 0.056 -5.563 1.00 0.26 H new ATOM 0 HB VAL A 288 10.785 -1.016 -3.096 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.295 0.933 -3.144 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.581 -0.167 -4.513 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.687 1.351 -4.763 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.083 1.180 -2.182 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.380 1.599 -3.762 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.703 0.252 -2.815 1.00 0.36 H new ATOM 1281 N GLY A 289 11.125 -0.836 -7.155 1.00 0.43 N ATOM 1282 CA GLY A 289 12.020 -1.403 -8.150 1.00 0.57 C ATOM 1283 C GLY A 289 11.432 -2.632 -8.833 1.00 0.73 C ATOM 1284 O GLY A 289 11.624 -2.841 -10.030 1.00 1.51 O ATOM 0 H GLY A 289 10.607 -0.015 -7.469 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.247 -0.647 -8.902 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.963 -1.672 -7.674 1.00 0.57 H new ATOM 1288 N GLY A 290 10.774 -3.472 -8.050 1.00 0.41 N ATOM 1289 CA GLY A 290 10.213 -4.708 -8.561 1.00 0.41 C ATOM 1290 C GLY A 290 9.773 -5.611 -7.430 1.00 0.37 C ATOM 1291 O GLY A 290 8.803 -6.361 -7.551 1.00 0.64 O ATOM 0 H GLY A 290 10.616 -3.317 -7.054 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.363 -4.486 -9.206 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.953 -5.222 -9.174 1.00 0.41 H new ATOM 1295 N GLU A 291 10.506 -5.529 -6.328 1.00 0.27 N ATOM 1296 CA GLU A 291 10.221 -6.311 -5.131 1.00 0.22 C ATOM 1297 C GLU A 291 8.844 -5.971 -4.567 1.00 0.16 C ATOM 1298 O GLU A 291 8.584 -4.815 -4.263 1.00 0.19 O ATOM 1299 CB GLU A 291 11.287 -6.011 -4.075 1.00 0.26 C ATOM 1300 CG GLU A 291 12.650 -6.599 -4.384 1.00 0.53 C ATOM 1301 CD GLU A 291 13.631 -6.380 -3.256 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.421 -6.940 -2.161 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.635 -5.674 -3.472 1.00 2.11 O ATOM 0 H GLU A 291 11.317 -4.917 -6.238 1.00 0.27 H new ATOM 0 HA GLU A 291 10.232 -7.368 -5.395 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.385 -4.930 -3.970 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.948 -6.395 -3.113 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.549 -7.668 -4.574 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.041 -6.148 -5.296 1.00 0.53 H new ATOM 1310 N LYS A 292 7.999 -6.986 -4.366 1.00 0.18 N ATOM 1311 CA LYS A 292 6.666 -6.786 -3.788 1.00 0.16 C ATOM 1312 C LYS A 292 6.502 -7.528 -2.456 1.00 0.17 C ATOM 1313 O LYS A 292 6.993 -8.637 -2.292 1.00 0.29 O ATOM 1314 CB LYS A 292 5.579 -7.214 -4.774 1.00 0.18 C ATOM 1315 CG LYS A 292 5.874 -8.510 -5.501 1.00 0.23 C ATOM 1316 CD LYS A 292 4.742 -8.868 -6.443 1.00 0.29 C ATOM 1317 CE LYS A 292 5.110 -10.047 -7.330 1.00 0.49 C ATOM 1318 NZ LYS A 292 3.941 -10.562 -8.091 1.00 1.33 N ATOM 0 H LYS A 292 8.214 -7.956 -4.595 1.00 0.18 H new ATOM 0 HA LYS A 292 6.558 -5.720 -3.586 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.637 -7.319 -4.236 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.439 -6.422 -5.509 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.804 -8.414 -6.062 1.00 0.23 H new ATOM 0 HG3 LYS A 292 6.019 -9.313 -4.778 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.849 -9.109 -5.866 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.497 -8.006 -7.064 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.891 -9.745 -8.027 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.523 -10.847 -6.716 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.238 -11.365 -8.682 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.205 -10.875 -7.426 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 3.562 -9.807 -8.698 1.00 1.33 H new ATOM 1332 N CYS A 293 5.840 -6.877 -1.501 1.00 0.16 N ATOM 1333 CA CYS A 293 5.571 -7.452 -0.181 1.00 0.18 C ATOM 1334 C CYS A 293 4.070 -7.518 0.013 1.00 0.15 C ATOM 1335 O CYS A 293 3.385 -6.526 -0.225 1.00 0.14 O ATOM 1336 CB CYS A 293 6.187 -6.596 0.932 1.00 0.28 C ATOM 1337 SG CYS A 293 5.820 -7.167 2.611 1.00 1.55 S ATOM 0 H CYS A 293 5.473 -5.933 -1.620 1.00 0.16 H new ATOM 0 HA CYS A 293 6.015 -8.446 -0.129 1.00 0.18 H new ATOM 0 HB2 CYS A 293 7.269 -6.573 0.798 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.830 -5.572 0.824 1.00 0.28 H new ATOM 0 HG CYS A 293 6.389 -6.376 3.472 1.00 1.55 H new ATOM 1343 N SER A 294 3.552 -8.697 0.311 1.00 0.17 N ATOM 1344 CA SER A 294 2.111 -8.911 0.304 1.00 0.18 C ATOM 1345 C SER A 294 1.417 -8.421 1.565 1.00 0.17 C ATOM 1346 O SER A 294 1.910 -8.586 2.679 1.00 0.20 O ATOM 1347 CB SER A 294 1.799 -10.384 0.094 1.00 0.27 C ATOM 1348 OG SER A 294 2.527 -10.913 -0.997 1.00 0.61 O ATOM 0 H SER A 294 4.103 -9.519 0.560 1.00 0.17 H new ATOM 0 HA SER A 294 1.722 -8.317 -0.523 1.00 0.18 H new ATOM 0 HB2 SER A 294 2.040 -10.942 0.999 1.00 0.27 H new ATOM 0 HB3 SER A 294 0.731 -10.510 -0.083 1.00 0.27 H new ATOM 0 HG SER A 294 2.308 -11.862 -1.107 1.00 0.61 H new ATOM 1354 N THR A 295 0.224 -7.892 1.359 1.00 0.17 N ATOM 1355 CA THR A 295 -0.647 -7.472 2.433 1.00 0.15 C ATOM 1356 C THR A 295 -2.091 -7.659 1.988 1.00 0.15 C ATOM 1357 O THR A 295 -2.442 -7.307 0.863 1.00 0.15 O ATOM 1358 CB THR A 295 -0.383 -5.996 2.808 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.148 -5.906 4.134 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.627 -5.128 2.685 1.00 0.20 C ATOM 0 H THR A 295 -0.168 -7.742 0.429 1.00 0.17 H new ATOM 0 HA THR A 295 -0.452 -8.077 3.319 1.00 0.15 H new ATOM 0 HB THR A 295 0.348 -5.615 2.094 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.104 -5.045 4.529 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.383 -4.102 2.960 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.987 -5.152 1.656 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.403 -5.508 3.350 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.912 -8.258 2.828 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.305 -8.451 2.478 1.00 0.15 C ATOM 1370 C GLU A 296 -5.081 -7.168 2.736 1.00 0.14 C ATOM 1371 O GLU A 296 -4.683 -6.346 3.561 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.905 -9.625 3.244 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.081 -10.888 3.120 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.783 -12.108 3.673 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.073 -12.146 4.887 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -5.048 -13.045 2.892 1.00 0.96 O ATOM 0 H GLU A 296 -2.644 -8.615 3.745 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.372 -8.691 1.417 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.996 -9.358 4.297 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.913 -9.816 2.876 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.842 -11.058 2.070 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.135 -10.751 3.644 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.107 -6.944 1.946 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.877 -5.723 2.024 1.00 0.15 C ATOM 1385 C LEU A 297 -8.322 -6.032 2.369 1.00 0.15 C ATOM 1386 O LEU A 297 -9.020 -6.701 1.605 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.799 -4.975 0.689 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.512 -3.627 0.660 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.019 -2.761 1.806 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.273 -2.931 -0.668 1.00 0.29 C ATOM 0 H LEU A 297 -6.430 -7.600 1.235 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.462 -5.092 2.810 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.750 -4.819 0.438 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.222 -5.609 -0.090 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.584 -3.790 0.774 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.531 -1.799 1.781 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.227 -3.258 2.753 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.945 -2.603 1.707 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.788 -1.970 -0.673 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.204 -2.770 -0.807 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.655 -3.552 -1.478 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.775 -5.505 3.495 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.150 -5.691 3.925 1.00 0.19 C ATOM 1404 C PHE A 298 -10.799 -4.340 4.153 1.00 0.19 C ATOM 1405 O PHE A 298 -10.263 -3.504 4.876 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.215 -6.517 5.215 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.598 -7.885 5.109 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.227 -8.047 5.216 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.382 -9.004 4.884 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.652 -9.296 5.105 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.811 -10.256 4.775 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.474 -10.421 4.944 1.00 0.45 C ATOM 0 H PHE A 298 -8.207 -4.943 4.129 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.685 -6.231 3.143 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.713 -5.966 6.010 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.259 -6.624 5.511 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.600 -7.185 5.389 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.453 -8.896 4.793 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.578 -9.407 5.142 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.433 -11.111 4.554 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.046 -11.413 4.954 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.942 -4.112 3.543 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.619 -2.840 3.706 1.00 0.28 C ATOM 1424 C VAL A 299 -13.806 -2.954 4.656 1.00 0.32 C ATOM 1425 O VAL A 299 -14.599 -3.895 4.584 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.077 -2.239 2.360 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.025 -3.153 1.630 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.714 -0.879 2.579 1.00 0.35 C ATOM 0 H VAL A 299 -12.419 -4.780 2.937 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.885 -2.162 4.142 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.192 -2.121 1.735 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.322 -2.692 0.688 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.531 -4.104 1.428 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.909 -3.326 2.244 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.032 -0.468 1.621 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.579 -0.984 3.234 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -12.989 -0.208 3.040 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.927 -1.973 5.529 1.00 0.33 N ATOM 1439 CA LYS A 300 -15.033 -1.889 6.453 1.00 0.41 C ATOM 1440 C LYS A 300 -15.993 -0.813 5.966 1.00 0.40 C ATOM 1441 O LYS A 300 -15.564 0.294 5.603 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.503 -1.557 7.853 1.00 0.48 C ATOM 1443 CG LYS A 300 -15.451 -1.898 8.993 1.00 1.17 C ATOM 1444 CD LYS A 300 -16.560 -0.874 9.144 1.00 1.72 C ATOM 1445 CE LYS A 300 -16.024 0.498 9.514 1.00 2.32 C ATOM 1446 NZ LYS A 300 -17.112 1.505 9.569 1.00 3.03 N ATOM 0 H LYS A 300 -13.256 -1.210 5.615 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.562 -2.841 6.505 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.565 -2.091 8.007 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.274 -0.492 7.896 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.888 -2.881 8.818 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.888 -1.961 9.924 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -17.119 -0.805 8.211 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -17.260 -1.208 9.910 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -15.524 0.447 10.481 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -15.276 0.807 8.784 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -16.703 2.451 9.706 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -17.648 1.486 8.678 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -17.749 1.285 10.361 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.272 -1.163 5.883 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.287 -0.239 5.399 1.00 0.57 C ATOM 1462 C GLU A 301 -18.382 0.978 6.315 1.00 0.65 C ATOM 1463 O GLU A 301 -18.164 2.108 5.835 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.651 -0.929 5.304 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.733 -1.962 4.195 1.00 0.66 C ATOM 1466 CD GLU A 301 -21.136 -2.483 3.976 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.641 -3.220 4.850 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.739 -2.168 2.929 1.00 1.44 O ATOM 1469 OXT GLU A 301 -18.669 0.798 7.515 1.00 1.20 O ATOM 0 H GLU A 301 -17.629 -2.082 6.145 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.995 0.091 4.402 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.872 -1.412 6.256 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.421 -0.174 5.144 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.366 -1.522 3.268 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -19.074 -2.797 4.434 1.00 0.66 H new