USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 755 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 13 LYS NZ :NH3+ -146:sc= -0.0111 (180deg=-0.0146) USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= -0.0811 F(o=-1.3,f=-0.092) USER MOD Set 2.1: A 30 CYS SG : rot 37:sc= 0.687 USER MOD Set 2.2: A 33 CYS SG : rot 179:sc= -0.337 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -4.39! C(o=-4.6!,f=-7!) USER MOD Set 2.4: A 67 CYS SG : rot -179:sc= -0.531 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 22 TYR OH : rot 0:sc= -0.411 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00576) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.84) USER MOD Single : A 28 SER OG : rot -132:sc= 0.743 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= 0.779 (180deg=-0.321) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 1.22 (180deg=-0.58) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 45 SER OG : rot 0:sc= 0.469! USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -1.06 (180deg=-1.94!) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : A 48 MET CE :methyl -156:sc= -3.81 (180deg=-5.13!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 58 MET CE :methyl 167:sc= -3.22! (180deg=-4.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -129:sc=-0.000407 (180deg=-0.227) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.638 F(o=0,f=0.64) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0234 USER MOD Single : A 82 SER OG : rot 180:sc= -0.17 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0353) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -143:sc= 0.469 (180deg=-0.065) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.558 K(o=-0.56,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.435 13.464 -4.160 1.00 0.00 N ATOM 132 CA LYS A 13 16.319 13.681 -5.074 1.00 0.00 C ATOM 133 C LYS A 13 15.395 12.468 -5.102 1.00 0.00 C ATOM 134 O LYS A 13 15.471 11.636 -6.007 1.00 0.00 O ATOM 135 CB LYS A 13 16.837 13.974 -6.484 1.00 0.00 C ATOM 136 CG LYS A 13 15.824 14.680 -7.369 1.00 0.00 C ATOM 137 CD LYS A 13 16.222 14.613 -8.834 1.00 0.00 C ATOM 138 CE LYS A 13 15.915 13.249 -9.433 1.00 0.00 C ATOM 139 NZ LYS A 13 14.464 13.087 -9.728 1.00 0.00 N ATOM 0 HA LYS A 13 15.751 14.540 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.735 14.588 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 13 17.129 13.036 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.843 14.224 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.735 15.722 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.691 15.384 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.287 14.824 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.489 13.118 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.235 12.469 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.187 12.096 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.911 13.703 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.280 13.348 -10.718 1.00 0.00 H new ATOM 153 N THR A 14 14.519 12.374 -4.105 1.00 0.00 N ATOM 154 CA THR A 14 13.580 11.263 -4.016 1.00 0.00 C ATOM 155 C THR A 14 12.290 11.688 -3.324 1.00 0.00 C ATOM 156 O THR A 14 12.318 12.413 -2.328 1.00 0.00 O ATOM 157 CB THR A 14 14.190 10.071 -3.254 1.00 0.00 C ATOM 158 OG1 THR A 14 15.430 9.686 -3.858 1.00 0.00 O ATOM 159 CG2 THR A 14 13.234 8.888 -3.247 1.00 0.00 C ATOM 0 H THR A 14 14.441 13.054 -3.349 1.00 0.00 H new ATOM 0 HA THR A 14 13.357 10.955 -5.038 1.00 0.00 H new ATOM 0 HB THR A 14 14.369 10.379 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.812 8.929 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.686 8.058 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.302 9.176 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.028 8.581 -4.272 1.00 0.00 H new ATOM 167 N LEU A 15 11.161 11.233 -3.856 1.00 0.00 N ATOM 168 CA LEU A 15 9.859 11.566 -3.288 1.00 0.00 C ATOM 169 C LEU A 15 9.609 10.782 -2.004 1.00 0.00 C ATOM 170 O LEU A 15 9.192 9.625 -2.042 1.00 0.00 O ATOM 171 CB LEU A 15 8.750 11.276 -4.301 1.00 0.00 C ATOM 172 CG LEU A 15 8.929 11.894 -5.688 1.00 0.00 C ATOM 173 CD1 LEU A 15 7.862 11.382 -6.643 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.888 13.413 -5.605 1.00 0.00 C ATOM 0 H LEU A 15 11.121 10.633 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 15 9.855 12.629 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.663 10.195 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.806 11.630 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 15 9.905 11.597 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.006 11.833 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.939 10.298 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.876 11.648 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.017 13.835 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.927 13.729 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.690 13.764 -4.956 1.00 0.00 H new ATOM 186 N GLY A 16 9.864 11.422 -0.867 1.00 0.00 N ATOM 187 CA GLY A 16 9.658 10.769 0.413 1.00 0.00 C ATOM 188 C GLY A 16 8.280 10.151 0.534 1.00 0.00 C ATOM 189 O GLY A 16 8.143 8.995 0.934 1.00 0.00 O ATOM 0 H GLY A 16 10.209 12.380 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.413 9.995 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.799 11.494 1.214 1.00 0.00 H new ATOM 193 N ASP A 17 7.255 10.923 0.189 1.00 0.00 N ATOM 194 CA ASP A 17 5.879 10.444 0.262 1.00 0.00 C ATOM 195 C ASP A 17 5.741 9.083 -0.412 1.00 0.00 C ATOM 196 O ASP A 17 4.952 8.242 0.019 1.00 0.00 O ATOM 197 CB ASP A 17 4.932 11.450 -0.394 1.00 0.00 C ATOM 198 CG ASP A 17 5.574 12.175 -1.561 1.00 0.00 C ATOM 199 OD1 ASP A 17 6.624 11.705 -2.046 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.026 13.212 -1.988 1.00 0.00 O ATOM 0 H ASP A 17 7.351 11.882 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 17 5.612 10.337 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.038 10.931 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.609 12.179 0.349 1.00 0.00 H new ATOM 205 N PHE A 18 6.514 8.872 -1.473 1.00 0.00 N ATOM 206 CA PHE A 18 6.476 7.613 -2.208 1.00 0.00 C ATOM 207 C PHE A 18 7.725 6.782 -1.926 1.00 0.00 C ATOM 208 O PHE A 18 8.848 7.251 -2.103 1.00 0.00 O ATOM 209 CB PHE A 18 6.354 7.878 -3.710 1.00 0.00 C ATOM 210 CG PHE A 18 5.071 8.557 -4.096 1.00 0.00 C ATOM 211 CD1 PHE A 18 4.961 9.937 -4.052 1.00 0.00 C ATOM 212 CD2 PHE A 18 3.975 7.814 -4.504 1.00 0.00 C ATOM 213 CE1 PHE A 18 3.781 10.564 -4.406 1.00 0.00 C ATOM 214 CE2 PHE A 18 2.792 8.435 -4.860 1.00 0.00 C ATOM 215 CZ PHE A 18 2.696 9.812 -4.812 1.00 0.00 C ATOM 0 H PHE A 18 7.174 9.556 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 18 5.604 7.051 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.193 8.495 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.430 6.932 -4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.807 10.530 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.046 6.737 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.708 11.641 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.945 7.844 -5.175 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.774 10.300 -5.092 1.00 0.00 H new ATOM 225 N ALA A 19 7.518 5.545 -1.487 1.00 0.00 N ATOM 226 CA ALA A 19 8.625 4.647 -1.182 1.00 0.00 C ATOM 227 C ALA A 19 8.390 3.263 -1.778 1.00 0.00 C ATOM 228 O ALA A 19 7.250 2.815 -1.900 1.00 0.00 O ATOM 229 CB ALA A 19 8.826 4.549 0.323 1.00 0.00 C ATOM 0 H ALA A 19 6.594 5.142 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 19 9.529 5.058 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.656 3.875 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.048 5.537 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.918 4.164 0.787 1.00 0.00 H new ATOM 235 N ALA A 20 9.475 2.591 -2.148 1.00 0.00 N ATOM 236 CA ALA A 20 9.386 1.258 -2.729 1.00 0.00 C ATOM 237 C ALA A 20 10.407 0.315 -2.100 1.00 0.00 C ATOM 238 O ALA A 20 11.598 0.618 -2.054 1.00 0.00 O ATOM 239 CB ALA A 20 9.585 1.325 -4.236 1.00 0.00 C ATOM 0 H ALA A 20 10.426 2.948 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 20 8.391 0.864 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.516 0.322 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.815 1.957 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.567 1.744 -4.455 1.00 0.00 H new ATOM 245 N GLU A 21 9.930 -0.828 -1.617 1.00 0.00 N ATOM 246 CA GLU A 21 10.803 -1.814 -0.989 1.00 0.00 C ATOM 247 C GLU A 21 10.066 -3.132 -0.772 1.00 0.00 C ATOM 248 O GLU A 21 8.876 -3.247 -1.065 1.00 0.00 O ATOM 249 CB GLU A 21 11.329 -1.284 0.347 1.00 0.00 C ATOM 250 CG GLU A 21 10.237 -1.029 1.372 1.00 0.00 C ATOM 251 CD GLU A 21 10.742 -0.274 2.586 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.763 0.435 2.463 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.116 -0.392 3.661 1.00 0.00 O ATOM 0 H GLU A 21 8.946 -1.094 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 21 11.645 -1.995 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.041 -2.000 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.875 -0.357 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.431 -0.462 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.814 -1.981 1.691 1.00 0.00 H new ATOM 260 N TYR A 22 10.783 -4.125 -0.257 1.00 0.00 N ATOM 261 CA TYR A 22 10.200 -5.437 -0.004 1.00 0.00 C ATOM 262 C TYR A 22 9.386 -5.431 1.287 1.00 0.00 C ATOM 263 O TYR A 22 9.822 -4.896 2.306 1.00 0.00 O ATOM 264 CB TYR A 22 11.297 -6.500 0.077 1.00 0.00 C ATOM 265 CG TYR A 22 12.285 -6.437 -1.066 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.984 -6.995 -2.302 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.520 -5.820 -0.909 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.884 -6.941 -3.348 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.426 -5.760 -1.950 1.00 0.00 C ATOM 270 CZ TYR A 22 14.104 -6.322 -3.168 1.00 0.00 C ATOM 271 OH TYR A 22 15.002 -6.265 -4.208 1.00 0.00 O ATOM 0 H TYR A 22 11.769 -4.046 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 22 9.533 -5.676 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.835 -6.385 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.835 -7.487 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.030 -7.479 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.776 -5.380 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.634 -7.381 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.381 -5.276 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 22 14.620 -6.707 -4.995 1.00 0.00 H new ATOM 281 N ALA A 23 8.202 -6.032 1.235 1.00 0.00 N ATOM 282 CA ALA A 23 7.328 -6.099 2.400 1.00 0.00 C ATOM 283 C ALA A 23 7.984 -6.878 3.535 1.00 0.00 C ATOM 284 O ALA A 23 8.802 -7.768 3.300 1.00 0.00 O ATOM 285 CB ALA A 23 5.996 -6.732 2.024 1.00 0.00 C ATOM 0 H ALA A 23 7.826 -6.479 0.399 1.00 0.00 H new ATOM 0 HA ALA A 23 7.150 -5.082 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.353 -6.776 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.514 -6.133 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.166 -7.741 1.648 1.00 0.00 H new ATOM 291 N LYS A 24 7.621 -6.537 4.767 1.00 0.00 N ATOM 292 CA LYS A 24 8.174 -7.205 5.939 1.00 0.00 C ATOM 293 C LYS A 24 7.291 -8.372 6.367 1.00 0.00 C ATOM 294 O LYS A 24 7.775 -9.485 6.577 1.00 0.00 O ATOM 295 CB LYS A 24 8.320 -6.212 7.095 1.00 0.00 C ATOM 296 CG LYS A 24 8.665 -6.868 8.421 1.00 0.00 C ATOM 297 CD LYS A 24 8.671 -5.859 9.557 1.00 0.00 C ATOM 298 CE LYS A 24 9.523 -6.338 10.723 1.00 0.00 C ATOM 299 NZ LYS A 24 8.959 -7.563 11.355 1.00 0.00 N ATOM 0 H LYS A 24 6.946 -5.802 4.979 1.00 0.00 H new ATOM 0 HA LYS A 24 9.157 -7.594 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.095 -5.488 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.389 -5.657 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.943 -7.656 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.644 -7.343 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.052 -4.904 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.650 -5.687 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.535 -6.543 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.597 -5.546 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.539 -7.829 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.984 -7.376 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.959 -8.341 10.665 1.00 0.00 H new ATOM 313 N SER A 25 5.994 -8.113 6.494 1.00 0.00 N ATOM 314 CA SER A 25 5.044 -9.142 6.899 1.00 0.00 C ATOM 315 C SER A 25 3.810 -9.127 6.001 1.00 0.00 C ATOM 316 O SER A 25 3.487 -8.109 5.389 1.00 0.00 O ATOM 317 CB SER A 25 4.630 -8.938 8.357 1.00 0.00 C ATOM 318 OG SER A 25 5.533 -9.583 9.239 1.00 0.00 O ATOM 0 H SER A 25 5.577 -7.198 6.322 1.00 0.00 H new ATOM 0 HA SER A 25 5.532 -10.111 6.799 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.595 -7.872 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.624 -9.329 8.511 1.00 0.00 H new ATOM 0 HG SER A 25 5.247 -9.436 10.165 1.00 0.00 H new ATOM 324 N ASN A 26 3.125 -10.263 5.928 1.00 0.00 N ATOM 325 CA ASN A 26 1.927 -10.382 5.105 1.00 0.00 C ATOM 326 C ASN A 26 0.709 -9.819 5.832 1.00 0.00 C ATOM 327 O ASN A 26 -0.357 -10.433 5.845 1.00 0.00 O ATOM 328 CB ASN A 26 1.681 -11.845 4.733 1.00 0.00 C ATOM 329 CG ASN A 26 1.974 -12.791 5.881 1.00 0.00 C ATOM 330 OD1 ASN A 26 1.412 -12.658 6.968 1.00 0.00 O ATOM 331 ND2 ASN A 26 2.859 -13.753 5.645 1.00 0.00 N ATOM 0 H ASN A 26 3.379 -11.115 6.429 1.00 0.00 H new ATOM 0 HA ASN A 26 2.084 -9.804 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.644 -11.968 4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.305 -12.110 3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.097 -14.419 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.301 -13.826 4.729 1.00 0.00 H new ATOM 338 N ARG A 27 0.877 -8.647 6.436 1.00 0.00 N ATOM 339 CA ARG A 27 -0.207 -8.002 7.166 1.00 0.00 C ATOM 340 C ARG A 27 -0.849 -6.901 6.326 1.00 0.00 C ATOM 341 O ARG A 27 -2.062 -6.895 6.115 1.00 0.00 O ATOM 342 CB ARG A 27 0.311 -7.417 8.481 1.00 0.00 C ATOM 343 CG ARG A 27 0.841 -8.465 9.447 1.00 0.00 C ATOM 344 CD ARG A 27 -0.287 -9.289 10.047 1.00 0.00 C ATOM 345 NE ARG A 27 -0.953 -8.589 11.142 1.00 0.00 N ATOM 346 CZ ARG A 27 -2.181 -8.877 11.559 1.00 0.00 C ATOM 347 NH1 ARG A 27 -2.873 -9.845 10.975 1.00 0.00 N ATOM 348 NH2 ARG A 27 -2.720 -8.195 12.562 1.00 0.00 N ATOM 0 H ARG A 27 1.753 -8.125 6.434 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.962 -8.757 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.104 -6.702 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.494 -6.863 8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.537 -9.123 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.401 -7.977 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.016 -9.525 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.110 -10.237 10.411 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.448 -7.838 11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.463 -10.371 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.816 -10.064 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.191 -7.449 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.663 -8.417 12.881 1.00 0.00 H new ATOM 362 N SER A 28 -0.027 -5.972 5.850 1.00 0.00 N ATOM 363 CA SER A 28 -0.514 -4.864 5.036 1.00 0.00 C ATOM 364 C SER A 28 -1.382 -5.373 3.889 1.00 0.00 C ATOM 365 O SER A 28 -1.010 -6.309 3.180 1.00 0.00 O ATOM 366 CB SER A 28 0.660 -4.056 4.482 1.00 0.00 C ATOM 367 OG SER A 28 1.404 -3.454 5.528 1.00 0.00 O ATOM 0 H SER A 28 0.980 -5.964 6.014 1.00 0.00 H new ATOM 0 HA SER A 28 -1.122 -4.219 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.310 -4.707 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.289 -3.286 3.806 1.00 0.00 H new ATOM 0 HG SER A 28 1.565 -2.511 5.314 1.00 0.00 H new ATOM 373 N THR A 29 -2.543 -4.750 3.713 1.00 0.00 N ATOM 374 CA THR A 29 -3.466 -5.139 2.654 1.00 0.00 C ATOM 375 C THR A 29 -3.778 -3.962 1.737 1.00 0.00 C ATOM 376 O THR A 29 -3.889 -2.822 2.189 1.00 0.00 O ATOM 377 CB THR A 29 -4.783 -5.690 3.231 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.513 -6.793 4.103 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.718 -6.136 2.116 1.00 0.00 C ATOM 0 H THR A 29 -2.866 -3.974 4.290 1.00 0.00 H new ATOM 0 HA THR A 29 -2.975 -5.923 2.079 1.00 0.00 H new ATOM 0 HB THR A 29 -5.268 -4.893 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.356 -7.136 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.642 -6.521 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.946 -5.287 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.237 -6.919 1.530 1.00 0.00 H new ATOM 387 N CYS A 30 -3.921 -4.244 0.447 1.00 0.00 N ATOM 388 CA CYS A 30 -4.222 -3.209 -0.535 1.00 0.00 C ATOM 389 C CYS A 30 -5.691 -2.802 -0.463 1.00 0.00 C ATOM 390 O CYS A 30 -6.550 -3.597 -0.081 1.00 0.00 O ATOM 391 CB CYS A 30 -3.886 -3.700 -1.944 1.00 0.00 C ATOM 392 SG CYS A 30 -4.147 -2.454 -3.247 1.00 0.00 S ATOM 0 H CYS A 30 -3.833 -5.182 0.056 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.610 -2.337 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.845 -4.021 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.495 -4.576 -2.167 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.811 -1.281 -2.799 1.00 0.00 H new ATOM 397 N LYS A 31 -5.972 -1.557 -0.833 1.00 0.00 N ATOM 398 CA LYS A 31 -7.336 -1.042 -0.813 1.00 0.00 C ATOM 399 C LYS A 31 -7.960 -1.099 -2.203 1.00 0.00 C ATOM 400 O LYS A 31 -9.179 -1.189 -2.344 1.00 0.00 O ATOM 401 CB LYS A 31 -7.353 0.397 -0.293 1.00 0.00 C ATOM 402 CG LYS A 31 -7.635 0.504 1.195 1.00 0.00 C ATOM 403 CD LYS A 31 -6.420 0.118 2.022 1.00 0.00 C ATOM 404 CE LYS A 31 -6.469 -1.345 2.435 1.00 0.00 C ATOM 405 NZ LYS A 31 -5.803 -1.574 3.747 1.00 0.00 N ATOM 0 H LYS A 31 -5.273 -0.886 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.924 -1.670 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.391 0.862 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.108 0.962 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.932 1.524 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.473 -0.142 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.513 0.305 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.369 0.747 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.507 -1.671 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.986 -1.954 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.965 -2.175 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.513 -0.662 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.466 -2.046 4.395 1.00 0.00 H new ATOM 419 N GLY A 32 -7.115 -1.048 -3.229 1.00 0.00 N ATOM 420 CA GLY A 32 -7.603 -1.097 -4.595 1.00 0.00 C ATOM 421 C GLY A 32 -8.217 -2.438 -4.944 1.00 0.00 C ATOM 422 O GLY A 32 -9.340 -2.503 -5.446 1.00 0.00 O ATOM 0 H GLY A 32 -6.102 -0.974 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.345 -0.312 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.780 -0.889 -5.279 1.00 0.00 H new ATOM 426 N CYS A 33 -7.481 -3.512 -4.678 1.00 0.00 N ATOM 427 CA CYS A 33 -7.959 -4.858 -4.969 1.00 0.00 C ATOM 428 C CYS A 33 -8.523 -5.518 -3.714 1.00 0.00 C ATOM 429 O CYS A 33 -9.227 -6.524 -3.793 1.00 0.00 O ATOM 430 CB CYS A 33 -6.825 -5.711 -5.542 1.00 0.00 C ATOM 431 SG CYS A 33 -5.327 -5.750 -4.505 1.00 0.00 S ATOM 0 H CYS A 33 -6.551 -3.476 -4.261 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.757 -4.782 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.185 -6.730 -5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.561 -5.330 -6.529 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.434 -6.514 -5.061 1.00 0.00 H new ATOM 436 N MET A 34 -8.209 -4.943 -2.558 1.00 0.00 N ATOM 437 CA MET A 34 -8.685 -5.474 -1.286 1.00 0.00 C ATOM 438 C MET A 34 -8.171 -6.893 -1.063 1.00 0.00 C ATOM 439 O MET A 34 -8.933 -7.787 -0.696 1.00 0.00 O ATOM 440 CB MET A 34 -10.215 -5.461 -1.245 1.00 0.00 C ATOM 441 CG MET A 34 -10.816 -4.080 -1.451 1.00 0.00 C ATOM 442 SD MET A 34 -12.619 -4.099 -1.436 1.00 0.00 S ATOM 443 CE MET A 34 -12.957 -3.031 -0.039 1.00 0.00 C ATOM 0 H MET A 34 -7.627 -4.109 -2.476 1.00 0.00 H new ATOM 0 HA MET A 34 -8.301 -4.838 -0.488 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.597 -6.133 -2.014 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.548 -5.854 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.457 -3.411 -0.669 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.469 -3.675 -2.401 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.035 -2.943 0.099 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.509 -3.455 0.860 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.533 -2.044 -0.225 1.00 0.00 H new ATOM 453 N GLU A 35 -6.876 -7.091 -1.287 1.00 0.00 N ATOM 454 CA GLU A 35 -6.262 -8.402 -1.111 1.00 0.00 C ATOM 455 C GLU A 35 -4.972 -8.294 -0.304 1.00 0.00 C ATOM 456 O GLU A 35 -4.177 -7.374 -0.501 1.00 0.00 O ATOM 457 CB GLU A 35 -5.974 -9.042 -2.470 1.00 0.00 C ATOM 458 CG GLU A 35 -4.599 -8.707 -3.022 1.00 0.00 C ATOM 459 CD GLU A 35 -4.497 -8.939 -4.517 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.091 -9.921 -5.007 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.823 -8.136 -5.196 1.00 0.00 O ATOM 0 H GLU A 35 -6.232 -6.361 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.962 -9.032 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.066 -10.124 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.732 -8.717 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.368 -7.664 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.850 -9.313 -2.512 1.00 0.00 H new ATOM 468 N LYS A 36 -4.769 -9.240 0.607 1.00 0.00 N ATOM 469 CA LYS A 36 -3.576 -9.255 1.445 1.00 0.00 C ATOM 470 C LYS A 36 -2.313 -9.182 0.593 1.00 0.00 C ATOM 471 O LYS A 36 -2.259 -9.739 -0.503 1.00 0.00 O ATOM 472 CB LYS A 36 -3.549 -10.518 2.308 1.00 0.00 C ATOM 473 CG LYS A 36 -3.651 -11.804 1.508 1.00 0.00 C ATOM 474 CD LYS A 36 -2.280 -12.312 1.092 1.00 0.00 C ATOM 475 CE LYS A 36 -2.346 -13.091 -0.212 1.00 0.00 C ATOM 476 NZ LYS A 36 -2.588 -12.199 -1.379 1.00 0.00 N ATOM 0 H LYS A 36 -5.417 -10.008 0.784 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.607 -8.380 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.626 -10.533 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.372 -10.478 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.157 -12.565 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.262 -11.635 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.598 -11.470 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.873 -12.949 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.413 -13.635 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.141 -13.834 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.089 -12.573 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.608 -12.156 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.237 -11.244 -1.165 1.00 0.00 H new ATOM 490 N ILE A 37 -1.299 -8.492 1.105 1.00 0.00 N ATOM 491 CA ILE A 37 -0.035 -8.350 0.392 1.00 0.00 C ATOM 492 C ILE A 37 0.953 -9.436 0.802 1.00 0.00 C ATOM 493 O ILE A 37 1.249 -9.605 1.984 1.00 0.00 O ATOM 494 CB ILE A 37 0.601 -6.970 0.646 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.358 -5.856 0.221 1.00 0.00 C ATOM 496 CG2 ILE A 37 1.922 -6.852 -0.099 1.00 0.00 C ATOM 497 CD1 ILE A 37 -0.084 -4.533 0.901 1.00 0.00 C ATOM 0 H ILE A 37 -1.328 -8.023 2.010 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.258 -8.449 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 37 0.797 -6.867 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.291 -5.722 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.380 -6.164 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.360 -5.872 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.605 -7.627 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.749 -6.972 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.801 -3.790 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.180 -4.652 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.927 -4.203 0.661 1.00 0.00 H new ATOM 509 N GLU A 38 1.461 -10.169 -0.184 1.00 0.00 N ATOM 510 CA GLU A 38 2.417 -11.239 0.074 1.00 0.00 C ATOM 511 C GLU A 38 3.723 -10.679 0.632 1.00 0.00 C ATOM 512 O GLU A 38 4.190 -9.622 0.207 1.00 0.00 O ATOM 513 CB GLU A 38 2.694 -12.026 -1.208 1.00 0.00 C ATOM 514 CG GLU A 38 1.505 -12.838 -1.693 1.00 0.00 C ATOM 515 CD GLU A 38 1.834 -13.688 -2.905 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.793 -14.485 -2.827 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.133 -13.558 -3.930 1.00 0.00 O ATOM 0 H GLU A 38 1.226 -10.041 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 38 1.982 -11.909 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.993 -11.332 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.536 -12.697 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.156 -13.482 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.685 -12.163 -1.939 1.00 0.00 H new ATOM 524 N LYS A 39 4.306 -11.394 1.588 1.00 0.00 N ATOM 525 CA LYS A 39 5.557 -10.971 2.205 1.00 0.00 C ATOM 526 C LYS A 39 6.702 -11.012 1.198 1.00 0.00 C ATOM 527 O LYS A 39 6.791 -11.928 0.382 1.00 0.00 O ATOM 528 CB LYS A 39 5.886 -11.865 3.403 1.00 0.00 C ATOM 529 CG LYS A 39 6.775 -11.194 4.436 1.00 0.00 C ATOM 530 CD LYS A 39 7.259 -12.184 5.482 1.00 0.00 C ATOM 531 CE LYS A 39 8.573 -12.831 5.072 1.00 0.00 C ATOM 532 NZ LYS A 39 8.909 -13.998 5.934 1.00 0.00 N ATOM 0 H LYS A 39 3.932 -12.270 1.952 1.00 0.00 H new ATOM 0 HA LYS A 39 5.435 -9.944 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.957 -12.174 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.377 -12.770 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.632 -10.740 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.225 -10.389 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.386 -11.673 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.504 -12.955 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.510 -13.153 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.374 -12.094 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.811 -14.411 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.994 -13.686 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.157 -14.713 5.860 1.00 0.00 H new ATOM 546 N GLY A 40 7.577 -10.013 1.262 1.00 0.00 N ATOM 547 CA GLY A 40 8.705 -9.955 0.351 1.00 0.00 C ATOM 548 C GLY A 40 8.359 -9.273 -0.958 1.00 0.00 C ATOM 549 O GLY A 40 9.151 -8.492 -1.485 1.00 0.00 O ATOM 0 H GLY A 40 7.525 -9.243 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.527 -9.422 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.057 -10.967 0.148 1.00 0.00 H new ATOM 553 N GLN A 41 7.175 -9.569 -1.483 1.00 0.00 N ATOM 554 CA GLN A 41 6.728 -8.979 -2.739 1.00 0.00 C ATOM 555 C GLN A 41 6.856 -7.460 -2.704 1.00 0.00 C ATOM 556 O GLN A 41 6.518 -6.821 -1.707 1.00 0.00 O ATOM 557 CB GLN A 41 5.278 -9.374 -3.024 1.00 0.00 C ATOM 558 CG GLN A 41 5.141 -10.686 -3.780 1.00 0.00 C ATOM 559 CD GLN A 41 5.310 -10.518 -5.277 1.00 0.00 C ATOM 560 OE1 GLN A 41 6.428 -10.396 -5.778 1.00 0.00 O ATOM 561 NE2 GLN A 41 4.197 -10.509 -6.001 1.00 0.00 N ATOM 0 H GLN A 41 6.508 -10.214 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 41 7.365 -9.360 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.739 -9.451 -2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.801 -8.581 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.885 -11.393 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.162 -11.118 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.291 -10.613 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.248 -10.398 -7.014 1.00 0.00 H new ATOM 570 N VAL A 42 7.348 -6.887 -3.798 1.00 0.00 N ATOM 571 CA VAL A 42 7.521 -5.442 -3.892 1.00 0.00 C ATOM 572 C VAL A 42 6.236 -4.710 -3.524 1.00 0.00 C ATOM 573 O VAL A 42 5.144 -5.110 -3.928 1.00 0.00 O ATOM 574 CB VAL A 42 7.952 -5.020 -5.309 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.056 -3.506 -5.407 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.272 -5.679 -5.683 1.00 0.00 C ATOM 0 H VAL A 42 7.634 -7.401 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 42 8.305 -5.170 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 42 7.192 -5.354 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.362 -3.227 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.087 -3.060 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.794 -3.145 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.561 -5.370 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.043 -5.377 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.158 -6.763 -5.656 1.00 0.00 H new ATOM 586 N ARG A 43 6.373 -3.634 -2.756 1.00 0.00 N ATOM 587 CA ARG A 43 5.222 -2.846 -2.332 1.00 0.00 C ATOM 588 C ARG A 43 5.521 -1.353 -2.430 1.00 0.00 C ATOM 589 O ARG A 43 6.659 -0.951 -2.677 1.00 0.00 O ATOM 590 CB ARG A 43 4.831 -3.206 -0.898 1.00 0.00 C ATOM 591 CG ARG A 43 5.942 -2.976 0.113 1.00 0.00 C ATOM 592 CD ARG A 43 5.488 -3.308 1.526 1.00 0.00 C ATOM 593 NE ARG A 43 6.472 -2.905 2.526 1.00 0.00 N ATOM 594 CZ ARG A 43 6.203 -2.804 3.823 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.986 -3.075 4.274 1.00 0.00 N ATOM 596 NH2 ARG A 43 7.152 -2.431 4.672 1.00 0.00 N ATOM 0 H ARG A 43 7.270 -3.288 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 43 4.390 -3.077 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.961 -2.617 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.532 -4.254 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.804 -3.590 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.266 -1.936 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.540 -2.809 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.308 -4.380 1.606 1.00 0.00 H new ATOM 0 HE ARG A 43 7.418 -2.689 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.254 -3.362 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.782 -2.997 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.089 -2.221 4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.944 -2.354 5.668 1.00 0.00 H new ATOM 610 N LEU A 44 4.492 -0.535 -2.236 1.00 0.00 N ATOM 611 CA LEU A 44 4.644 0.914 -2.302 1.00 0.00 C ATOM 612 C LEU A 44 3.737 1.604 -1.288 1.00 0.00 C ATOM 613 O LEU A 44 2.535 1.343 -1.237 1.00 0.00 O ATOM 614 CB LEU A 44 4.325 1.416 -3.712 1.00 0.00 C ATOM 615 CG LEU A 44 5.088 0.742 -4.853 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.251 0.734 -6.123 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.418 1.441 -5.092 1.00 0.00 C ATOM 0 H LEU A 44 3.544 -0.851 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 44 5.679 1.157 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.257 1.286 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.527 2.487 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 44 5.290 -0.291 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.810 0.251 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.325 0.187 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.017 1.759 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.947 0.948 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.239 2.484 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.022 1.393 -4.186 1.00 0.00 H new ATOM 629 N SER A 45 4.321 2.486 -0.483 1.00 0.00 N ATOM 630 CA SER A 45 3.567 3.212 0.532 1.00 0.00 C ATOM 631 C SER A 45 3.377 4.671 0.127 1.00 0.00 C ATOM 632 O SER A 45 4.341 5.376 -0.172 1.00 0.00 O ATOM 633 CB SER A 45 4.281 3.135 1.882 1.00 0.00 C ATOM 634 OG SER A 45 5.370 4.040 1.936 1.00 0.00 O ATOM 0 H SER A 45 5.314 2.715 -0.514 1.00 0.00 H new ATOM 0 HA SER A 45 2.586 2.746 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.577 3.361 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.640 2.119 2.050 1.00 0.00 H new ATOM 0 HG SER A 45 5.430 4.531 1.090 1.00 0.00 H new ATOM 640 N LYS A 46 2.126 5.118 0.120 1.00 0.00 N ATOM 641 CA LYS A 46 1.806 6.493 -0.247 1.00 0.00 C ATOM 642 C LYS A 46 1.228 7.252 0.943 1.00 0.00 C ATOM 643 O LYS A 46 0.174 6.893 1.469 1.00 0.00 O ATOM 644 CB LYS A 46 0.813 6.515 -1.411 1.00 0.00 C ATOM 645 CG LYS A 46 0.875 7.786 -2.239 1.00 0.00 C ATOM 646 CD LYS A 46 -0.353 7.937 -3.122 1.00 0.00 C ATOM 647 CE LYS A 46 -1.454 8.714 -2.418 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.978 10.042 -1.941 1.00 0.00 N ATOM 0 H LYS A 46 1.316 4.548 0.364 1.00 0.00 H new ATOM 0 HA LYS A 46 2.729 6.984 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.006 5.660 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.197 6.396 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.957 8.649 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.771 7.774 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.078 8.448 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.724 6.951 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.293 8.852 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.823 8.135 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.792 10.677 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.482 9.928 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.327 10.450 -2.642 1.00 0.00 H new ATOM 662 N LYS A 47 1.922 8.305 1.361 1.00 0.00 N ATOM 663 CA LYS A 47 1.477 9.118 2.487 1.00 0.00 C ATOM 664 C LYS A 47 0.174 9.839 2.155 1.00 0.00 C ATOM 665 O LYS A 47 0.170 10.828 1.423 1.00 0.00 O ATOM 666 CB LYS A 47 2.554 10.137 2.864 1.00 0.00 C ATOM 667 CG LYS A 47 2.461 10.616 4.303 1.00 0.00 C ATOM 668 CD LYS A 47 3.505 11.678 4.606 1.00 0.00 C ATOM 669 CE LYS A 47 3.549 12.008 6.090 1.00 0.00 C ATOM 670 NZ LYS A 47 4.233 10.944 6.875 1.00 0.00 N ATOM 0 H LYS A 47 2.796 8.616 0.936 1.00 0.00 H new ATOM 0 HA LYS A 47 1.300 8.455 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.536 9.693 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.478 10.997 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.466 11.019 4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.594 9.771 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.485 11.330 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.283 12.581 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.066 12.956 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.533 12.138 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.317 11.244 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.679 10.065 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.181 10.778 6.482 1.00 0.00 H new ATOM 684 N MET A 48 -0.930 9.338 2.701 1.00 0.00 N ATOM 685 CA MET A 48 -2.238 9.937 2.465 1.00 0.00 C ATOM 686 C MET A 48 -3.257 9.437 3.484 1.00 0.00 C ATOM 687 O MET A 48 -3.064 8.394 4.109 1.00 0.00 O ATOM 688 CB MET A 48 -2.719 9.620 1.047 1.00 0.00 C ATOM 689 CG MET A 48 -3.156 8.175 0.862 1.00 0.00 C ATOM 690 SD MET A 48 -4.308 7.968 -0.508 1.00 0.00 S ATOM 691 CE MET A 48 -5.876 8.027 0.356 1.00 0.00 C ATOM 0 H MET A 48 -0.944 8.519 3.309 1.00 0.00 H new ATOM 0 HA MET A 48 -2.141 11.017 2.575 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.552 10.278 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.918 9.842 0.342 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.278 7.553 0.690 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.623 7.820 1.781 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.634 7.509 -0.231 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.775 7.543 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.174 9.066 0.498 1.00 0.00 H new ATOM 701 N VAL A 49 -4.342 10.187 3.647 1.00 0.00 N ATOM 702 CA VAL A 49 -5.391 9.819 4.589 1.00 0.00 C ATOM 703 C VAL A 49 -6.440 8.933 3.926 1.00 0.00 C ATOM 704 O VAL A 49 -6.705 9.056 2.731 1.00 0.00 O ATOM 705 CB VAL A 49 -6.083 11.065 5.173 1.00 0.00 C ATOM 706 CG1 VAL A 49 -5.055 12.123 5.545 1.00 0.00 C ATOM 707 CG2 VAL A 49 -7.099 11.621 4.187 1.00 0.00 C ATOM 0 H VAL A 49 -4.517 11.054 3.138 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.911 9.266 5.397 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.612 10.773 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.563 12.995 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.370 11.718 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.495 12.414 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.578 12.501 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.594 11.898 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.854 10.863 3.976 1.00 0.00 H new ATOM 717 N ASP A 50 -7.033 8.040 4.711 1.00 0.00 N ATOM 718 CA ASP A 50 -8.055 7.133 4.201 1.00 0.00 C ATOM 719 C ASP A 50 -9.169 7.907 3.503 1.00 0.00 C ATOM 720 O ASP A 50 -9.765 8.827 4.065 1.00 0.00 O ATOM 721 CB ASP A 50 -8.636 6.293 5.339 1.00 0.00 C ATOM 722 CG ASP A 50 -9.110 4.932 4.870 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.321 4.223 4.210 1.00 0.00 O ATOM 724 OD2 ASP A 50 -10.270 4.574 5.163 1.00 0.00 O ATOM 0 H ASP A 50 -6.824 7.925 5.703 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.587 6.470 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.880 6.164 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.470 6.828 5.793 1.00 0.00 H new ATOM 729 N PRO A 51 -9.459 7.529 2.250 1.00 0.00 N ATOM 730 CA PRO A 51 -10.502 8.174 1.448 1.00 0.00 C ATOM 731 C PRO A 51 -11.904 7.870 1.968 1.00 0.00 C ATOM 732 O PRO A 51 -12.875 8.515 1.573 1.00 0.00 O ATOM 733 CB PRO A 51 -10.306 7.570 0.056 1.00 0.00 C ATOM 734 CG PRO A 51 -9.655 6.253 0.303 1.00 0.00 C ATOM 735 CD PRO A 51 -8.789 6.440 1.518 1.00 0.00 C ATOM 0 HA PRO A 51 -10.419 9.261 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.258 7.450 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.682 8.209 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.400 5.475 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.060 5.945 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.732 5.530 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.768 6.707 1.246 1.00 0.00 H new ATOM 743 N GLU A 52 -12.000 6.885 2.855 1.00 0.00 N ATOM 744 CA GLU A 52 -13.283 6.496 3.428 1.00 0.00 C ATOM 745 C GLU A 52 -13.427 7.026 4.852 1.00 0.00 C ATOM 746 O GLU A 52 -14.488 7.514 5.241 1.00 0.00 O ATOM 747 CB GLU A 52 -13.430 4.973 3.421 1.00 0.00 C ATOM 748 CG GLU A 52 -13.593 4.383 2.031 1.00 0.00 C ATOM 749 CD GLU A 52 -14.152 2.974 2.057 1.00 0.00 C ATOM 750 OE1 GLU A 52 -13.844 2.232 3.013 1.00 0.00 O ATOM 751 OE2 GLU A 52 -14.898 2.614 1.122 1.00 0.00 O ATOM 0 H GLU A 52 -11.205 6.342 3.192 1.00 0.00 H new ATOM 0 HA GLU A 52 -14.072 6.932 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.554 4.530 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.293 4.697 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.254 5.021 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.626 4.377 1.527 1.00 0.00 H new ATOM 758 N LYS A 53 -12.351 6.926 5.625 1.00 0.00 N ATOM 759 CA LYS A 53 -12.354 7.395 7.005 1.00 0.00 C ATOM 760 C LYS A 53 -11.263 8.438 7.228 1.00 0.00 C ATOM 761 O LYS A 53 -10.160 8.131 7.679 1.00 0.00 O ATOM 762 CB LYS A 53 -12.154 6.220 7.965 1.00 0.00 C ATOM 763 CG LYS A 53 -13.214 5.140 7.833 1.00 0.00 C ATOM 764 CD LYS A 53 -13.365 4.348 9.121 1.00 0.00 C ATOM 765 CE LYS A 53 -12.436 3.143 9.147 1.00 0.00 C ATOM 766 NZ LYS A 53 -13.077 1.936 8.557 1.00 0.00 N ATOM 0 H LYS A 53 -11.465 6.524 5.319 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.321 7.858 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.173 5.779 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.154 6.594 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.169 5.596 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.949 4.466 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.150 4.993 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.398 4.015 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.524 3.376 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.143 2.932 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.412 1.137 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.933 1.699 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.334 2.128 7.568 1.00 0.00 H new ATOM 780 N PRO A 54 -11.578 9.702 6.907 1.00 0.00 N ATOM 781 CA PRO A 54 -10.639 10.816 7.066 1.00 0.00 C ATOM 782 C PRO A 54 -10.377 11.150 8.531 1.00 0.00 C ATOM 783 O PRO A 54 -9.599 12.051 8.842 1.00 0.00 O ATOM 784 CB PRO A 54 -11.349 11.981 6.372 1.00 0.00 C ATOM 785 CG PRO A 54 -12.797 11.640 6.447 1.00 0.00 C ATOM 786 CD PRO A 54 -12.875 10.141 6.365 1.00 0.00 C ATOM 0 HA PRO A 54 -9.659 10.585 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.139 12.927 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.020 12.086 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.236 12.003 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.350 12.105 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.708 9.749 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.018 9.801 5.339 1.00 0.00 H new ATOM 794 N GLN A 55 -11.031 10.416 9.426 1.00 0.00 N ATOM 795 CA GLN A 55 -10.869 10.636 10.858 1.00 0.00 C ATOM 796 C GLN A 55 -9.423 10.401 11.284 1.00 0.00 C ATOM 797 O GLN A 55 -8.804 11.259 11.915 1.00 0.00 O ATOM 798 CB GLN A 55 -11.801 9.713 11.646 1.00 0.00 C ATOM 799 CG GLN A 55 -11.603 8.238 11.334 1.00 0.00 C ATOM 800 CD GLN A 55 -12.747 7.378 11.835 1.00 0.00 C ATOM 801 OE1 GLN A 55 -13.877 7.489 11.359 1.00 0.00 O ATOM 802 NE2 GLN A 55 -12.458 6.513 12.800 1.00 0.00 N ATOM 0 H GLN A 55 -11.677 9.665 9.185 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.129 11.673 11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.643 9.875 12.712 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.835 9.986 11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.501 8.109 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.672 7.897 11.786 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.507 6.455 13.165 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.187 5.907 13.176 1.00 0.00 H new ATOM 811 N LEU A 56 -8.891 9.235 10.936 1.00 0.00 N ATOM 812 CA LEU A 56 -7.517 8.887 11.282 1.00 0.00 C ATOM 813 C LEU A 56 -6.541 9.939 10.762 1.00 0.00 C ATOM 814 O LEU A 56 -5.547 10.253 11.414 1.00 0.00 O ATOM 815 CB LEU A 56 -7.157 7.515 10.709 1.00 0.00 C ATOM 816 CG LEU A 56 -8.135 6.381 11.022 1.00 0.00 C ATOM 817 CD1 LEU A 56 -8.135 5.353 9.901 1.00 0.00 C ATOM 818 CD2 LEU A 56 -7.784 5.725 12.349 1.00 0.00 C ATOM 0 H LEU A 56 -9.390 8.514 10.414 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.441 8.852 12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.072 7.606 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.173 7.233 11.084 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.137 6.802 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.836 4.554 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.435 5.831 8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.134 4.936 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.490 4.921 12.555 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.774 5.317 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.836 6.466 13.146 1.00 0.00 H new ATOM 830 N GLY A 57 -6.835 10.481 9.584 1.00 0.00 N ATOM 831 CA GLY A 57 -5.976 11.493 8.998 1.00 0.00 C ATOM 832 C GLY A 57 -4.790 10.895 8.268 1.00 0.00 C ATOM 833 O GLY A 57 -4.943 9.954 7.489 1.00 0.00 O ATOM 0 H GLY A 57 -7.653 10.237 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.557 12.101 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.617 12.159 9.782 1.00 0.00 H new ATOM 837 N MET A 58 -3.605 11.441 8.519 1.00 0.00 N ATOM 838 CA MET A 58 -2.389 10.955 7.878 1.00 0.00 C ATOM 839 C MET A 58 -2.090 9.519 8.297 1.00 0.00 C ATOM 840 O MET A 58 -1.910 9.233 9.481 1.00 0.00 O ATOM 841 CB MET A 58 -1.205 11.858 8.231 1.00 0.00 C ATOM 842 CG MET A 58 -1.153 13.139 7.414 1.00 0.00 C ATOM 843 SD MET A 58 -0.183 12.962 5.905 1.00 0.00 S ATOM 844 CE MET A 58 -1.201 11.813 4.982 1.00 0.00 C ATOM 0 H MET A 58 -3.461 12.220 9.162 1.00 0.00 H new ATOM 0 HA MET A 58 -2.544 10.975 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.256 12.114 9.289 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.279 11.304 8.082 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.168 13.442 7.155 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.728 13.937 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.864 11.780 3.946 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.119 10.819 5.422 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.240 12.140 5.016 1.00 0.00 H new ATOM 854 N ILE A 59 -2.040 8.621 7.320 1.00 0.00 N ATOM 855 CA ILE A 59 -1.763 7.215 7.588 1.00 0.00 C ATOM 856 C ILE A 59 -0.951 6.590 6.459 1.00 0.00 C ATOM 857 O ILE A 59 -1.052 7.004 5.304 1.00 0.00 O ATOM 858 CB ILE A 59 -3.062 6.411 7.777 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.958 6.552 6.545 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.795 6.875 9.027 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.829 5.341 6.290 1.00 0.00 C ATOM 0 H ILE A 59 -2.188 8.842 6.335 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.185 7.178 8.512 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.806 5.359 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.595 7.428 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.333 6.731 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.711 6.297 9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.157 6.729 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.043 7.932 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.437 5.511 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.199 4.465 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.479 5.173 7.148 1.00 0.00 H new ATOM 873 N ASP A 60 -0.146 5.589 6.801 1.00 0.00 N ATOM 874 CA ASP A 60 0.682 4.903 5.815 1.00 0.00 C ATOM 875 C ASP A 60 -0.096 3.777 5.141 1.00 0.00 C ATOM 876 O ASP A 60 -0.404 2.762 5.766 1.00 0.00 O ATOM 877 CB ASP A 60 1.942 4.344 6.477 1.00 0.00 C ATOM 878 CG ASP A 60 2.732 5.410 7.211 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.775 6.559 6.723 1.00 0.00 O ATOM 880 OD2 ASP A 60 3.307 5.096 8.274 1.00 0.00 O ATOM 0 H ASP A 60 -0.049 5.235 7.753 1.00 0.00 H new ATOM 0 HA ASP A 60 0.972 5.627 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.662 3.557 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.575 3.885 5.717 1.00 0.00 H new ATOM 885 N ARG A 61 -0.410 3.965 3.864 1.00 0.00 N ATOM 886 CA ARG A 61 -1.154 2.966 3.106 1.00 0.00 C ATOM 887 C ARG A 61 -0.221 2.162 2.204 1.00 0.00 C ATOM 888 O ARG A 61 0.966 2.468 2.093 1.00 0.00 O ATOM 889 CB ARG A 61 -2.240 3.638 2.264 1.00 0.00 C ATOM 890 CG ARG A 61 -3.517 3.927 3.037 1.00 0.00 C ATOM 891 CD ARG A 61 -4.492 2.762 2.958 1.00 0.00 C ATOM 892 NE ARG A 61 -5.561 2.876 3.946 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.411 2.570 5.230 1.00 0.00 C ATOM 894 NH1 ARG A 61 -4.242 2.134 5.679 1.00 0.00 N ATOM 895 NH2 ARG A 61 -6.432 2.700 6.068 1.00 0.00 N ATOM 0 H ARG A 61 -0.161 4.799 3.332 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.623 2.284 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.850 4.573 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.477 2.998 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.274 4.130 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.989 4.825 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.925 2.719 1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.953 1.827 3.113 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.473 3.209 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.455 2.033 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.130 1.900 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.333 3.035 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.316 2.465 7.054 1.00 0.00 H new ATOM 909 N TRP A 62 -0.767 1.135 1.563 1.00 0.00 N ATOM 910 CA TRP A 62 0.016 0.287 0.672 1.00 0.00 C ATOM 911 C TRP A 62 -0.774 -0.058 -0.586 1.00 0.00 C ATOM 912 O TRP A 62 -2.003 -0.126 -0.558 1.00 0.00 O ATOM 913 CB TRP A 62 0.437 -0.995 1.392 1.00 0.00 C ATOM 914 CG TRP A 62 1.392 -0.755 2.523 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.094 -0.728 3.855 1.00 0.00 C ATOM 916 CD2 TRP A 62 2.798 -0.506 2.419 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.230 -0.478 4.586 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.289 -0.338 3.728 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.690 -0.410 1.348 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.631 -0.079 3.992 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.022 -0.152 1.611 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.482 0.010 2.924 1.00 0.00 C ATOM 0 H TRP A 62 -1.749 0.869 1.644 1.00 0.00 H new ATOM 0 HA TRP A 62 0.908 0.840 0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.452 -1.496 1.776 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.899 -1.672 0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.110 -0.881 4.273 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.277 -0.408 5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.345 -0.535 0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 4.988 0.047 5.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.720 -0.074 0.790 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.529 0.209 3.097 1.00 0.00 H new ATOM 933 N TYR A 63 -0.063 -0.274 -1.686 1.00 0.00 N ATOM 934 CA TYR A 63 -0.699 -0.610 -2.954 1.00 0.00 C ATOM 935 C TYR A 63 0.272 -1.344 -3.874 1.00 0.00 C ATOM 936 O TYR A 63 1.369 -0.858 -4.153 1.00 0.00 O ATOM 937 CB TYR A 63 -1.213 0.656 -3.642 1.00 0.00 C ATOM 938 CG TYR A 63 -2.319 1.352 -2.882 1.00 0.00 C ATOM 939 CD1 TYR A 63 -3.643 0.958 -3.028 1.00 0.00 C ATOM 940 CD2 TYR A 63 -2.040 2.403 -2.017 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.657 1.591 -2.336 1.00 0.00 C ATOM 942 CE2 TYR A 63 -3.047 3.041 -1.320 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.354 2.632 -1.483 1.00 0.00 C ATOM 944 OH TYR A 63 -5.361 3.265 -0.791 1.00 0.00 O ATOM 0 H TYR A 63 0.955 -0.222 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.541 -1.270 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.383 1.350 -3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.575 0.397 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.884 0.143 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.018 2.727 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.681 1.273 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.812 3.856 -0.651 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.979 3.975 -0.234 1.00 0.00 H new ATOM 954 N HIS A 64 -0.139 -2.518 -4.343 1.00 0.00 N ATOM 955 CA HIS A 64 0.694 -3.319 -5.233 1.00 0.00 C ATOM 956 C HIS A 64 1.100 -2.518 -6.466 1.00 0.00 C ATOM 957 O HIS A 64 0.390 -1.615 -6.911 1.00 0.00 O ATOM 958 CB HIS A 64 -0.050 -4.587 -5.656 1.00 0.00 C ATOM 959 CG HIS A 64 -0.606 -5.368 -4.505 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.857 -5.137 -3.974 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.074 -6.383 -3.785 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.070 -5.975 -2.975 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.003 -6.742 -2.840 1.00 0.00 N ATOM 0 H HIS A 64 -1.043 -2.935 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 64 1.597 -3.599 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.865 -4.314 -6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.629 -5.224 -6.223 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.515 -4.430 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.900 -6.828 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.964 -6.025 -2.371 1.00 0.00 H new ATOM 971 N PRO A 65 2.269 -2.852 -7.031 1.00 0.00 N ATOM 972 CA PRO A 65 2.796 -2.176 -8.220 1.00 0.00 C ATOM 973 C PRO A 65 1.750 -2.040 -9.321 1.00 0.00 C ATOM 974 O PRO A 65 1.652 -1.001 -9.973 1.00 0.00 O ATOM 975 CB PRO A 65 3.935 -3.092 -8.674 1.00 0.00 C ATOM 976 CG PRO A 65 4.371 -3.797 -7.436 1.00 0.00 C ATOM 977 CD PRO A 65 3.167 -3.918 -6.553 1.00 0.00 C ATOM 0 HA PRO A 65 3.113 -1.156 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.597 -3.797 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.753 -2.520 -9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.775 -4.781 -7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.163 -3.241 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.704 -4.901 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.426 -3.781 -5.503 1.00 0.00 H new ATOM 985 N GLY A 66 0.969 -3.097 -9.523 1.00 0.00 N ATOM 986 CA GLY A 66 -0.059 -3.075 -10.546 1.00 0.00 C ATOM 987 C GLY A 66 -1.203 -2.143 -10.198 1.00 0.00 C ATOM 988 O GLY A 66 -1.779 -1.499 -11.076 1.00 0.00 O ATOM 0 H GLY A 66 1.030 -3.968 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.382 -2.766 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.447 -4.084 -10.689 1.00 0.00 H new ATOM 992 N CYS A 67 -1.536 -2.071 -8.914 1.00 0.00 N ATOM 993 CA CYS A 67 -2.620 -1.213 -8.451 1.00 0.00 C ATOM 994 C CYS A 67 -2.192 0.252 -8.452 1.00 0.00 C ATOM 995 O CYS A 67 -3.010 1.148 -8.660 1.00 0.00 O ATOM 996 CB CYS A 67 -3.060 -1.627 -7.045 1.00 0.00 C ATOM 997 SG CYS A 67 -3.391 -3.409 -6.864 1.00 0.00 S ATOM 0 H CYS A 67 -1.070 -2.597 -8.175 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.460 -1.328 -9.136 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.286 -1.338 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.960 -1.072 -6.779 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.779 -3.657 -5.648 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.906 0.487 -8.217 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.369 1.842 -8.190 1.00 0.00 C ATOM 1004 C PHE A 68 -0.516 2.513 -9.553 1.00 0.00 C ATOM 1005 O PHE A 68 -0.906 3.677 -9.646 1.00 0.00 O ATOM 1006 CB PHE A 68 1.104 1.822 -7.775 1.00 0.00 C ATOM 1007 CG PHE A 68 1.669 3.188 -7.506 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.056 4.040 -6.603 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.814 3.618 -8.157 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.574 5.297 -6.354 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.337 4.874 -7.912 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.717 5.714 -7.008 1.00 0.00 C ATOM 0 H PHE A 68 -0.216 -0.244 -8.042 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.938 2.416 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.213 1.210 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.688 1.344 -8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.163 3.719 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.303 2.964 -8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.085 5.953 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.229 5.198 -8.427 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.125 6.695 -6.813 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.200 1.770 -10.609 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.297 2.291 -11.967 1.00 0.00 C ATOM 1024 C VAL A 69 -1.741 2.622 -12.327 1.00 0.00 C ATOM 1025 O VAL A 69 -2.027 3.682 -12.884 1.00 0.00 O ATOM 1026 CB VAL A 69 0.259 1.287 -12.994 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.154 1.850 -14.403 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.698 0.927 -12.661 1.00 0.00 C ATOM 0 H VAL A 69 0.125 0.805 -10.550 1.00 0.00 H new ATOM 0 HA VAL A 69 0.301 3.202 -12.000 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.339 0.377 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.552 1.126 -15.115 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.891 2.052 -14.637 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.726 2.775 -14.469 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.075 0.217 -13.397 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.312 1.828 -12.678 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.740 0.478 -11.669 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.650 1.708 -12.004 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.067 1.902 -12.291 1.00 0.00 C ATOM 1040 C LYS A 70 -4.622 3.088 -11.509 1.00 0.00 C ATOM 1041 O LYS A 70 -5.121 4.049 -12.092 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.856 0.636 -11.949 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.609 -0.513 -12.910 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.560 -1.670 -12.653 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.047 -2.961 -13.271 1.00 0.00 C ATOM 1046 NZ LYS A 70 -3.854 -3.486 -12.550 1.00 0.00 N ATOM 0 H LYS A 70 -2.431 0.825 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.172 2.110 -13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.595 0.317 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.920 0.872 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.729 -0.163 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.580 -0.858 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.688 -1.805 -11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.542 -1.434 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.839 -3.710 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.792 -2.787 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.095 -3.684 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.525 -2.779 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.108 -4.362 -12.051 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.532 3.012 -10.185 1.00 0.00 N ATOM 1061 CA ASN A 71 -5.025 4.080 -9.323 1.00 0.00 C ATOM 1062 C ASN A 71 -3.948 5.136 -9.094 1.00 0.00 C ATOM 1063 O ASN A 71 -3.891 5.760 -8.034 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.487 3.508 -7.981 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.322 2.253 -8.144 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.618 2.430 -8.374 1.00 0.00 O flip ATOM 1067 ND2 ASN A 71 -5.808 1.137 -8.065 1.00 0.00 N flip ATOM 0 H ASN A 71 -4.122 2.222 -9.686 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.872 4.552 -9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.616 3.284 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.068 4.261 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.808 1.048 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.383 0.302 -8.178 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.097 5.332 -10.096 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.021 6.311 -10.004 1.00 0.00 C ATOM 1076 C ARG A 72 -2.581 7.730 -9.957 1.00 0.00 C ATOM 1077 O ARG A 72 -2.100 8.571 -9.198 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.069 6.167 -11.193 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.654 6.660 -12.506 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.619 6.639 -13.620 1.00 0.00 C ATOM 1081 NE ARG A 72 0.119 7.896 -13.706 1.00 0.00 N ATOM 1082 CZ ARG A 72 1.335 7.999 -14.231 1.00 0.00 C ATOM 1083 NH1 ARG A 72 1.945 6.927 -14.715 1.00 0.00 N ATOM 1084 NH2 ARG A 72 1.942 9.178 -14.274 1.00 0.00 N ATOM 0 H ARG A 72 -3.132 4.826 -10.981 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.471 6.124 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.153 6.720 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.791 5.118 -11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.503 6.035 -12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.033 7.674 -12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.079 5.820 -13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.114 6.444 -14.571 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.323 8.741 -13.343 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.481 6.019 -14.685 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.879 7.010 -15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.475 10.006 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.876 9.257 -14.677 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.599 7.987 -10.772 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.222 9.304 -10.823 1.00 0.00 C ATOM 1100 C GLU A 73 -4.909 9.633 -9.500 1.00 0.00 C ATOM 1101 O GLU A 73 -4.478 10.525 -8.771 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.236 9.369 -11.967 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.616 9.184 -13.342 1.00 0.00 C ATOM 1104 CD GLU A 73 -3.999 10.460 -13.880 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -3.657 11.343 -13.067 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -3.858 10.574 -15.116 1.00 0.00 O ATOM 0 H GLU A 73 -4.009 7.301 -11.406 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.439 10.041 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.994 8.601 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.746 10.332 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.851 8.409 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.379 8.833 -14.036 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.980 8.905 -9.200 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.727 9.120 -7.966 1.00 0.00 C ATOM 1115 C GLU A 74 -5.782 9.351 -6.791 1.00 0.00 C ATOM 1116 O GLU A 74 -5.944 10.303 -6.027 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.634 7.922 -7.678 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.291 7.972 -6.309 1.00 0.00 C ATOM 1119 CD GLU A 74 -7.453 7.306 -5.235 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -7.082 6.127 -5.417 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -7.168 7.963 -4.212 1.00 0.00 O ATOM 0 H GLU A 74 -6.349 8.162 -9.794 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.343 10.010 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.409 7.872 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.048 7.006 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.469 9.011 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.265 7.484 -6.359 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.795 8.473 -6.652 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.823 8.579 -5.570 1.00 0.00 C ATOM 1130 C LEU A 75 -3.115 9.930 -5.604 1.00 0.00 C ATOM 1131 O LEU A 75 -2.772 10.489 -4.563 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.795 7.450 -5.668 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.238 6.090 -5.127 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.170 5.039 -5.385 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.549 6.184 -3.640 1.00 0.00 C ATOM 0 H LEU A 75 -4.647 7.679 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.359 8.493 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.517 7.329 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.896 7.756 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.146 5.790 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.503 4.078 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.996 4.953 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.244 5.332 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.863 5.207 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.658 6.506 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.350 6.906 -3.481 1.00 0.00 H new ATOM 1147 N GLY A 76 -2.903 10.451 -6.809 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.240 11.734 -6.956 1.00 0.00 C ATOM 1149 C GLY A 76 -0.813 11.595 -7.449 1.00 0.00 C ATOM 1150 O GLY A 76 0.091 12.269 -6.953 1.00 0.00 O ATOM 0 H GLY A 76 -3.178 10.008 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.804 12.353 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.241 12.252 -5.997 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.609 10.719 -8.427 1.00 0.00 N ATOM 1155 CA PHE A 77 0.719 10.493 -8.985 1.00 0.00 C ATOM 1156 C PHE A 77 0.998 11.458 -10.133 1.00 0.00 C ATOM 1157 O PHE A 77 0.557 11.241 -11.262 1.00 0.00 O ATOM 1158 CB PHE A 77 0.850 9.049 -9.474 1.00 0.00 C ATOM 1159 CG PHE A 77 2.267 8.551 -9.500 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.045 8.576 -8.354 1.00 0.00 C ATOM 1161 CD2 PHE A 77 2.821 8.058 -10.671 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.349 8.119 -8.375 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.125 7.600 -10.698 1.00 0.00 C ATOM 1164 CZ PHE A 77 4.890 7.629 -9.548 1.00 0.00 C ATOM 0 H PHE A 77 -1.346 10.154 -8.849 1.00 0.00 H new ATOM 0 HA PHE A 77 1.452 10.671 -8.198 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.257 8.400 -8.829 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.428 8.974 -10.476 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.628 8.957 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.227 8.031 -11.573 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.945 8.145 -7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.545 7.220 -11.617 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.908 7.270 -9.566 1.00 0.00 H new ATOM 1174 N ARG A 78 1.734 12.524 -9.836 1.00 0.00 N ATOM 1175 CA ARG A 78 2.071 13.524 -10.842 1.00 0.00 C ATOM 1176 C ARG A 78 2.624 12.863 -12.102 1.00 0.00 C ATOM 1177 O ARG A 78 3.145 11.748 -12.070 1.00 0.00 O ATOM 1178 CB ARG A 78 3.092 14.517 -10.284 1.00 0.00 C ATOM 1179 CG ARG A 78 2.475 15.603 -9.418 1.00 0.00 C ATOM 1180 CD ARG A 78 3.536 16.361 -8.635 1.00 0.00 C ATOM 1181 NE ARG A 78 2.953 17.394 -7.784 1.00 0.00 N ATOM 1182 CZ ARG A 78 2.511 18.561 -8.241 1.00 0.00 C ATOM 1183 NH1 ARG A 78 2.585 18.840 -9.534 1.00 0.00 N ATOM 1184 NH2 ARG A 78 1.994 19.450 -7.403 1.00 0.00 N ATOM 0 H ARG A 78 2.108 12.717 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 78 1.159 14.060 -11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.832 13.973 -9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.623 14.984 -11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.919 16.299 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.761 15.156 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.102 15.661 -8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.241 16.818 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 78 2.881 17.210 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.982 18.158 -10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.245 19.736 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.935 19.238 -6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.655 20.345 -7.755 1.00 0.00 H new ATOM 1198 N PRO A 79 2.509 13.566 -13.238 1.00 0.00 N ATOM 1199 CA PRO A 79 2.992 13.067 -14.530 1.00 0.00 C ATOM 1200 C PRO A 79 4.514 13.018 -14.599 1.00 0.00 C ATOM 1201 O PRO A 79 5.084 12.222 -15.346 1.00 0.00 O ATOM 1202 CB PRO A 79 2.443 14.087 -15.531 1.00 0.00 C ATOM 1203 CG PRO A 79 2.270 15.338 -14.741 1.00 0.00 C ATOM 1204 CD PRO A 79 1.899 14.902 -13.351 1.00 0.00 C ATOM 0 HA PRO A 79 2.666 12.045 -14.721 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.132 14.236 -16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.497 13.754 -15.957 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.188 15.925 -14.734 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.492 15.968 -15.173 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.289 15.587 -12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.818 14.863 -13.217 1.00 0.00 H new ATOM 1212 N GLU A 80 5.166 13.872 -13.817 1.00 0.00 N ATOM 1213 CA GLU A 80 6.623 13.924 -13.792 1.00 0.00 C ATOM 1214 C GLU A 80 7.183 12.988 -12.725 1.00 0.00 C ATOM 1215 O GLU A 80 8.254 13.232 -12.169 1.00 0.00 O ATOM 1216 CB GLU A 80 7.100 15.355 -13.531 1.00 0.00 C ATOM 1217 CG GLU A 80 6.577 15.943 -12.232 1.00 0.00 C ATOM 1218 CD GLU A 80 7.274 17.236 -11.855 1.00 0.00 C ATOM 1219 OE1 GLU A 80 6.834 18.306 -12.328 1.00 0.00 O ATOM 1220 OE2 GLU A 80 8.257 17.180 -11.088 1.00 0.00 O ATOM 0 H GLU A 80 4.709 14.537 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 80 6.989 13.598 -14.765 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.190 15.368 -13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.787 15.990 -14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.506 16.125 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.708 15.217 -11.430 1.00 0.00 H new ATOM 1227 N TYR A 81 6.450 11.916 -12.443 1.00 0.00 N ATOM 1228 CA TYR A 81 6.870 10.944 -11.441 1.00 0.00 C ATOM 1229 C TYR A 81 7.288 9.632 -12.097 1.00 0.00 C ATOM 1230 O TYR A 81 6.627 9.144 -13.014 1.00 0.00 O ATOM 1231 CB TYR A 81 5.741 10.690 -10.441 1.00 0.00 C ATOM 1232 CG TYR A 81 5.676 11.712 -9.329 1.00 0.00 C ATOM 1233 CD1 TYR A 81 6.174 12.997 -9.509 1.00 0.00 C ATOM 1234 CD2 TYR A 81 5.118 11.393 -8.097 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.117 13.934 -8.496 1.00 0.00 C ATOM 1236 CE2 TYR A 81 5.056 12.324 -7.078 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.557 13.593 -7.282 1.00 0.00 C ATOM 1238 OH TYR A 81 5.499 14.523 -6.270 1.00 0.00 O ATOM 0 H TYR A 81 5.562 11.699 -12.895 1.00 0.00 H new ATOM 0 HA TYR A 81 7.730 11.355 -10.911 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.790 10.684 -10.973 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.869 9.699 -10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.613 13.268 -10.458 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.726 10.400 -7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.509 14.928 -8.653 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.618 12.060 -6.127 1.00 0.00 H new ATOM 0 HH TYR A 81 5.074 14.123 -5.482 1.00 0.00 H new ATOM 1248 N SER A 82 8.392 9.064 -11.620 1.00 0.00 N ATOM 1249 CA SER A 82 8.902 7.810 -12.160 1.00 0.00 C ATOM 1250 C SER A 82 9.250 6.837 -11.038 1.00 0.00 C ATOM 1251 O SER A 82 9.230 7.196 -9.862 1.00 0.00 O ATOM 1252 CB SER A 82 10.135 8.068 -13.028 1.00 0.00 C ATOM 1253 OG SER A 82 10.540 6.889 -13.702 1.00 0.00 O ATOM 0 H SER A 82 8.950 9.453 -10.860 1.00 0.00 H new ATOM 0 HA SER A 82 8.121 7.363 -12.775 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.914 8.849 -13.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.952 8.434 -12.406 1.00 0.00 H new ATOM 0 HG SER A 82 11.329 7.081 -14.251 1.00 0.00 H new ATOM 1259 N ALA A 83 9.570 5.602 -11.413 1.00 0.00 N ATOM 1260 CA ALA A 83 9.925 4.577 -10.440 1.00 0.00 C ATOM 1261 C ALA A 83 11.221 4.929 -9.718 1.00 0.00 C ATOM 1262 O ALA A 83 11.339 4.743 -8.507 1.00 0.00 O ATOM 1263 CB ALA A 83 10.050 3.222 -11.122 1.00 0.00 C ATOM 0 H ALA A 83 9.590 5.288 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 83 9.129 4.526 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.316 2.466 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.099 2.959 -11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.825 3.270 -11.887 1.00 0.00 H new ATOM 1269 N SER A 84 12.191 5.440 -10.470 1.00 0.00 N ATOM 1270 CA SER A 84 13.481 5.815 -9.903 1.00 0.00 C ATOM 1271 C SER A 84 13.312 6.888 -8.832 1.00 0.00 C ATOM 1272 O SER A 84 14.233 7.162 -8.063 1.00 0.00 O ATOM 1273 CB SER A 84 14.419 6.318 -11.002 1.00 0.00 C ATOM 1274 OG SER A 84 13.964 7.549 -11.536 1.00 0.00 O ATOM 0 H SER A 84 12.108 5.604 -11.473 1.00 0.00 H new ATOM 0 HA SER A 84 13.918 4.930 -9.440 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.424 6.442 -10.598 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.484 5.575 -11.797 1.00 0.00 H new ATOM 0 HG SER A 84 14.581 7.850 -12.235 1.00 0.00 H new ATOM 1280 N GLN A 85 12.129 7.492 -8.790 1.00 0.00 N ATOM 1281 CA GLN A 85 11.839 8.537 -7.814 1.00 0.00 C ATOM 1282 C GLN A 85 11.253 7.942 -6.538 1.00 0.00 C ATOM 1283 O GLN A 85 10.690 8.657 -5.709 1.00 0.00 O ATOM 1284 CB GLN A 85 10.868 9.561 -8.405 1.00 0.00 C ATOM 1285 CG GLN A 85 11.556 10.680 -9.169 1.00 0.00 C ATOM 1286 CD GLN A 85 11.815 11.901 -8.309 1.00 0.00 C ATOM 1287 OE1 GLN A 85 12.631 11.735 -7.275 1.00 0.00 O flip ATOM 1288 NE2 GLN A 85 11.287 12.982 -8.570 1.00 0.00 N flip ATOM 0 H GLN A 85 11.356 7.276 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 85 12.775 9.036 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.175 9.049 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.274 9.994 -7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.502 10.314 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.940 10.965 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.666 13.065 -9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.470 13.795 -7.981 1.00 0.00 H new ATOM 1297 N LEU A 86 11.391 6.629 -6.386 1.00 0.00 N ATOM 1298 CA LEU A 86 10.875 5.937 -5.210 1.00 0.00 C ATOM 1299 C LEU A 86 11.984 5.696 -4.190 1.00 0.00 C ATOM 1300 O LEU A 86 13.098 5.314 -4.548 1.00 0.00 O ATOM 1301 CB LEU A 86 10.240 4.605 -5.615 1.00 0.00 C ATOM 1302 CG LEU A 86 8.928 4.697 -6.394 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.603 3.364 -7.051 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.793 5.133 -5.479 1.00 0.00 C ATOM 0 H LEU A 86 11.856 6.023 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 86 10.115 6.569 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.959 4.051 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.063 4.020 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 86 9.045 5.446 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.666 3.448 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.404 3.092 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.506 2.595 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.867 5.193 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.676 4.408 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.022 6.111 -5.056 1.00 0.00 H new ATOM 1316 N LYS A 87 11.670 5.919 -2.919 1.00 0.00 N ATOM 1317 CA LYS A 87 12.637 5.723 -1.846 1.00 0.00 C ATOM 1318 C LYS A 87 13.048 4.257 -1.744 1.00 0.00 C ATOM 1319 O LYS A 87 12.238 3.398 -1.399 1.00 0.00 O ATOM 1320 CB LYS A 87 12.053 6.193 -0.512 1.00 0.00 C ATOM 1321 CG LYS A 87 12.295 7.665 -0.227 1.00 0.00 C ATOM 1322 CD LYS A 87 12.230 7.963 1.262 1.00 0.00 C ATOM 1323 CE LYS A 87 13.544 7.633 1.954 1.00 0.00 C ATOM 1324 NZ LYS A 87 14.587 8.660 1.682 1.00 0.00 N ATOM 0 H LYS A 87 10.752 6.236 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 87 13.522 6.315 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.980 6.002 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.486 5.600 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.271 7.956 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.552 8.265 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.992 9.016 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.424 7.386 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.380 7.558 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.897 6.658 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.414 8.484 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.872 8.609 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.204 9.606 1.885 1.00 0.00 H new ATOM 1338 N GLY A 88 14.313 3.979 -2.046 1.00 0.00 N ATOM 1339 CA GLY A 88 14.808 2.617 -1.981 1.00 0.00 C ATOM 1340 C GLY A 88 14.687 1.892 -3.307 1.00 0.00 C ATOM 1341 O GLY A 88 14.491 0.677 -3.343 1.00 0.00 O ATOM 0 H GLY A 88 15.003 4.673 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.853 2.628 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.255 2.069 -1.219 1.00 0.00 H new ATOM 1345 N PHE A 89 14.801 2.638 -4.401 1.00 0.00 N ATOM 1346 CA PHE A 89 14.700 2.060 -5.735 1.00 0.00 C ATOM 1347 C PHE A 89 16.010 1.389 -6.138 1.00 0.00 C ATOM 1348 O PHE A 89 16.010 0.335 -6.774 1.00 0.00 O ATOM 1349 CB PHE A 89 14.331 3.139 -6.756 1.00 0.00 C ATOM 1350 CG PHE A 89 14.463 2.686 -8.181 1.00 0.00 C ATOM 1351 CD1 PHE A 89 15.713 2.489 -8.746 1.00 0.00 C ATOM 1352 CD2 PHE A 89 13.338 2.459 -8.957 1.00 0.00 C ATOM 1353 CE1 PHE A 89 15.839 2.072 -10.058 1.00 0.00 C ATOM 1354 CE2 PHE A 89 13.458 2.041 -10.269 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.709 1.849 -10.821 1.00 0.00 C ATOM 0 H PHE A 89 14.964 3.645 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 89 13.915 1.304 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 89 13.304 3.460 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.968 4.009 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 89 16.599 2.663 -8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.357 2.610 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 89 16.819 1.921 -10.486 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.573 1.865 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.804 1.525 -11.847 1.00 0.00 H new ATOM 1365 N SER A 90 17.124 2.010 -5.764 1.00 0.00 N ATOM 1366 CA SER A 90 18.442 1.476 -6.090 1.00 0.00 C ATOM 1367 C SER A 90 18.681 0.147 -5.379 1.00 0.00 C ATOM 1368 O SER A 90 19.351 -0.741 -5.907 1.00 0.00 O ATOM 1369 CB SER A 90 19.531 2.478 -5.702 1.00 0.00 C ATOM 1370 OG SER A 90 20.818 1.891 -5.788 1.00 0.00 O ATOM 0 H SER A 90 17.141 2.882 -5.236 1.00 0.00 H new ATOM 0 HA SER A 90 18.482 1.305 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.480 3.347 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.357 2.834 -4.686 1.00 0.00 H new ATOM 0 HG SER A 90 21.496 2.552 -5.537 1.00 0.00 H new ATOM 1376 N LEU A 91 18.128 0.018 -4.179 1.00 0.00 N ATOM 1377 CA LEU A 91 18.280 -1.202 -3.394 1.00 0.00 C ATOM 1378 C LEU A 91 17.644 -2.391 -4.107 1.00 0.00 C ATOM 1379 O LEU A 91 18.238 -3.467 -4.194 1.00 0.00 O ATOM 1380 CB LEU A 91 17.648 -1.025 -2.012 1.00 0.00 C ATOM 1381 CG LEU A 91 18.222 0.101 -1.151 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.432 0.241 0.141 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.693 -0.152 -0.853 1.00 0.00 C ATOM 0 H LEU A 91 17.570 0.743 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 91 19.346 -1.399 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.581 -0.847 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.751 -1.962 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 91 18.139 1.035 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.855 1.047 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.392 0.469 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.482 -0.693 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.085 0.659 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.799 -1.096 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.251 -0.201 -1.788 1.00 0.00 H new ATOM 1395 N LEU A 92 16.434 -2.190 -4.618 1.00 0.00 N ATOM 1396 CA LEU A 92 15.718 -3.245 -5.327 1.00 0.00 C ATOM 1397 C LEU A 92 16.643 -3.975 -6.296 1.00 0.00 C ATOM 1398 O LEU A 92 17.739 -3.504 -6.597 1.00 0.00 O ATOM 1399 CB LEU A 92 14.526 -2.658 -6.085 1.00 0.00 C ATOM 1400 CG LEU A 92 13.495 -1.910 -5.240 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.494 -1.191 -6.131 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.781 -2.868 -4.298 1.00 0.00 C ATOM 0 H LEU A 92 15.928 -1.306 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 92 15.355 -3.962 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.905 -1.976 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.018 -3.469 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 92 14.018 -1.165 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.768 -0.664 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.019 -0.475 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.977 -1.918 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.051 -2.318 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.271 -3.637 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.509 -3.336 -3.635 1.00 0.00 H new ATOM 1414 N ALA A 93 16.192 -5.126 -6.782 1.00 0.00 N ATOM 1415 CA ALA A 93 16.977 -5.919 -7.720 1.00 0.00 C ATOM 1416 C ALA A 93 16.830 -5.390 -9.143 1.00 0.00 C ATOM 1417 O ALA A 93 15.731 -5.043 -9.578 1.00 0.00 O ATOM 1418 CB ALA A 93 16.560 -7.381 -7.653 1.00 0.00 C ATOM 0 H ALA A 93 15.287 -5.531 -6.542 1.00 0.00 H new ATOM 0 HA ALA A 93 18.026 -5.838 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.154 -7.962 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.722 -7.760 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.504 -7.470 -7.908 1.00 0.00 H new ATOM 1424 N THR A 94 17.944 -5.330 -9.865 1.00 0.00 N ATOM 1425 CA THR A 94 17.940 -4.841 -11.238 1.00 0.00 C ATOM 1426 C THR A 94 16.674 -5.272 -11.971 1.00 0.00 C ATOM 1427 O THR A 94 16.018 -4.460 -12.623 1.00 0.00 O ATOM 1428 CB THR A 94 19.168 -5.347 -12.019 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.369 -4.985 -11.329 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.191 -4.769 -13.425 1.00 0.00 C ATOM 0 H THR A 94 18.861 -5.614 -9.521 1.00 0.00 H new ATOM 0 HA THR A 94 17.975 -3.753 -11.186 1.00 0.00 H new ATOM 0 HB THR A 94 19.104 -6.433 -12.091 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.145 -5.311 -11.830 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.067 -5.141 -13.957 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.289 -5.070 -13.957 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.234 -3.681 -13.371 1.00 0.00 H new ATOM 1438 N GLU A 95 16.337 -6.553 -11.858 1.00 0.00 N ATOM 1439 CA GLU A 95 15.148 -7.089 -12.511 1.00 0.00 C ATOM 1440 C GLU A 95 13.898 -6.333 -12.072 1.00 0.00 C ATOM 1441 O GLU A 95 13.149 -5.816 -12.901 1.00 0.00 O ATOM 1442 CB GLU A 95 14.994 -8.578 -12.194 1.00 0.00 C ATOM 1443 CG GLU A 95 16.207 -9.411 -12.576 1.00 0.00 C ATOM 1444 CD GLU A 95 16.110 -10.842 -12.086 1.00 0.00 C ATOM 1445 OE1 GLU A 95 15.376 -11.636 -12.711 1.00 0.00 O ATOM 1446 OE2 GLU A 95 16.769 -11.168 -11.076 1.00 0.00 O ATOM 0 H GLU A 95 16.869 -7.238 -11.321 1.00 0.00 H new ATOM 0 HA GLU A 95 15.268 -6.963 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.804 -8.696 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.119 -8.964 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.317 -9.409 -13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.104 -8.950 -12.163 1.00 0.00 H new ATOM 1453 N ASP A 96 13.679 -6.274 -10.763 1.00 0.00 N ATOM 1454 CA ASP A 96 12.520 -5.580 -10.212 1.00 0.00 C ATOM 1455 C ASP A 96 12.501 -4.119 -10.651 1.00 0.00 C ATOM 1456 O ASP A 96 11.484 -3.616 -11.127 1.00 0.00 O ATOM 1457 CB ASP A 96 12.525 -5.667 -8.685 1.00 0.00 C ATOM 1458 CG ASP A 96 12.331 -7.085 -8.185 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.731 -8.027 -8.902 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.781 -7.253 -7.077 1.00 0.00 O ATOM 0 H ASP A 96 14.288 -6.698 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 96 11.622 -6.066 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.469 -5.277 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.734 -5.033 -8.285 1.00 0.00 H new ATOM 1465 N LYS A 97 13.633 -3.443 -10.487 1.00 0.00 N ATOM 1466 CA LYS A 97 13.749 -2.040 -10.866 1.00 0.00 C ATOM 1467 C LYS A 97 13.082 -1.784 -12.214 1.00 0.00 C ATOM 1468 O LYS A 97 12.143 -0.994 -12.311 1.00 0.00 O ATOM 1469 CB LYS A 97 15.221 -1.626 -10.927 1.00 0.00 C ATOM 1470 CG LYS A 97 15.835 -1.362 -9.563 1.00 0.00 C ATOM 1471 CD LYS A 97 17.322 -1.676 -9.551 1.00 0.00 C ATOM 1472 CE LYS A 97 18.065 -0.815 -8.541 1.00 0.00 C ATOM 1473 NZ LYS A 97 19.539 -0.874 -8.740 1.00 0.00 N ATOM 0 H LYS A 97 14.484 -3.845 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 97 13.241 -1.442 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.790 -2.410 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.312 -0.728 -11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.680 -0.318 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.328 -1.967 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.471 -2.729 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.738 -1.513 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.728 0.218 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.821 -1.147 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.015 -0.857 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.787 -1.751 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.846 -0.055 -9.302 1.00 0.00 H new ATOM 1487 N GLU A 98 13.572 -2.457 -13.249 1.00 0.00 N ATOM 1488 CA GLU A 98 13.022 -2.302 -14.591 1.00 0.00 C ATOM 1489 C GLU A 98 11.508 -2.497 -14.584 1.00 0.00 C ATOM 1490 O GLU A 98 10.761 -1.660 -15.090 1.00 0.00 O ATOM 1491 CB GLU A 98 13.671 -3.299 -15.552 1.00 0.00 C ATOM 1492 CG GLU A 98 15.158 -3.065 -15.759 1.00 0.00 C ATOM 1493 CD GLU A 98 15.475 -1.633 -16.145 1.00 0.00 C ATOM 1494 OE1 GLU A 98 14.754 -1.077 -17.000 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.443 -1.069 -15.594 1.00 0.00 O ATOM 0 H GLU A 98 14.349 -3.115 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 98 13.240 -1.289 -14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.520 -4.309 -15.171 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.165 -3.243 -16.516 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.693 -3.317 -14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.523 -3.736 -16.536 1.00 0.00 H new ATOM 1502 N ALA A 99 11.064 -3.609 -14.007 1.00 0.00 N ATOM 1503 CA ALA A 99 9.641 -3.915 -13.933 1.00 0.00 C ATOM 1504 C ALA A 99 8.826 -2.663 -13.626 1.00 0.00 C ATOM 1505 O ALA A 99 7.823 -2.385 -14.286 1.00 0.00 O ATOM 1506 CB ALA A 99 9.385 -4.984 -12.881 1.00 0.00 C ATOM 0 H ALA A 99 11.669 -4.313 -13.584 1.00 0.00 H new ATOM 0 HA ALA A 99 9.325 -4.294 -14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.318 -5.203 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.931 -5.890 -13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.723 -4.626 -11.909 1.00 0.00 H new ATOM 1512 N LEU A 100 9.260 -1.911 -12.621 1.00 0.00 N ATOM 1513 CA LEU A 100 8.570 -0.688 -12.226 1.00 0.00 C ATOM 1514 C LEU A 100 8.701 0.383 -13.304 1.00 0.00 C ATOM 1515 O LEU A 100 7.714 1.002 -13.703 1.00 0.00 O ATOM 1516 CB LEU A 100 9.132 -0.167 -10.902 1.00 0.00 C ATOM 1517 CG LEU A 100 8.785 -0.984 -9.657 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.456 -0.394 -8.427 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.277 -1.047 -9.465 1.00 0.00 C ATOM 0 H LEU A 100 10.087 -2.127 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 100 7.513 -0.921 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.217 -0.115 -10.987 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.774 0.852 -10.755 1.00 0.00 H new ATOM 0 HG LEU A 100 9.157 -1.999 -9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.197 -0.989 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.537 -0.401 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.115 0.631 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.048 -1.632 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.883 -0.038 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.819 -1.516 -10.335 1.00 0.00 H new ATOM 1531 N LYS A 101 9.925 0.596 -13.774 1.00 0.00 N ATOM 1532 CA LYS A 101 10.186 1.590 -14.809 1.00 0.00 C ATOM 1533 C LYS A 101 9.230 1.414 -15.985 1.00 0.00 C ATOM 1534 O LYS A 101 8.589 2.369 -16.425 1.00 0.00 O ATOM 1535 CB LYS A 101 11.634 1.483 -15.294 1.00 0.00 C ATOM 1536 CG LYS A 101 12.660 1.625 -14.183 1.00 0.00 C ATOM 1537 CD LYS A 101 14.071 1.384 -14.693 1.00 0.00 C ATOM 1538 CE LYS A 101 14.644 2.628 -15.354 1.00 0.00 C ATOM 1539 NZ LYS A 101 16.052 2.424 -15.793 1.00 0.00 N ATOM 0 H LYS A 101 10.753 0.093 -13.454 1.00 0.00 H new ATOM 0 HA LYS A 101 10.026 2.578 -14.378 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.774 0.520 -15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.815 2.253 -16.044 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.594 2.624 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.434 0.917 -13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.712 1.083 -13.865 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.065 0.561 -15.407 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.031 2.897 -16.214 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.599 3.464 -14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.406 3.294 -16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.642 2.192 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.092 1.643 -16.479 1.00 0.00 H new ATOM 1553 N LYS A 102 9.139 0.188 -16.489 1.00 0.00 N ATOM 1554 CA LYS A 102 8.260 -0.114 -17.612 1.00 0.00 C ATOM 1555 C LYS A 102 6.825 0.305 -17.308 1.00 0.00 C ATOM 1556 O LYS A 102 6.186 0.989 -18.107 1.00 0.00 O ATOM 1557 CB LYS A 102 8.308 -1.608 -17.937 1.00 0.00 C ATOM 1558 CG LYS A 102 9.650 -2.070 -18.478 1.00 0.00 C ATOM 1559 CD LYS A 102 9.642 -3.556 -18.794 1.00 0.00 C ATOM 1560 CE LYS A 102 11.043 -4.146 -18.736 1.00 0.00 C ATOM 1561 NZ LYS A 102 11.818 -3.858 -19.975 1.00 0.00 N ATOM 0 H LYS A 102 9.664 -0.613 -16.137 1.00 0.00 H new ATOM 0 HA LYS A 102 8.610 0.451 -18.476 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.074 -2.175 -17.036 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.533 -1.837 -18.668 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.894 -1.507 -19.379 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.431 -1.857 -17.748 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.997 -4.076 -18.085 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.220 -3.716 -19.786 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.572 -3.740 -17.874 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.977 -5.224 -18.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.767 -4.277 -19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.326 -4.267 -20.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.903 -2.829 -20.100 1.00 0.00 H new ATOM 1575 N GLN A 103 6.326 -0.109 -16.148 1.00 0.00 N ATOM 1576 CA GLN A 103 4.967 0.225 -15.739 1.00 0.00 C ATOM 1577 C GLN A 103 4.778 1.736 -15.658 1.00 0.00 C ATOM 1578 O GLN A 103 3.790 2.276 -16.158 1.00 0.00 O ATOM 1579 CB GLN A 103 4.647 -0.414 -14.386 1.00 0.00 C ATOM 1580 CG GLN A 103 4.379 -1.909 -14.467 1.00 0.00 C ATOM 1581 CD GLN A 103 2.963 -2.225 -14.907 1.00 0.00 C ATOM 1582 OE1 GLN A 103 2.156 -1.323 -15.133 1.00 0.00 O ATOM 1583 NE2 GLN A 103 2.654 -3.510 -15.030 1.00 0.00 N ATOM 0 H GLN A 103 6.842 -0.676 -15.475 1.00 0.00 H new ATOM 0 HA GLN A 103 4.282 -0.169 -16.490 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.480 -0.239 -13.705 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.775 0.080 -13.957 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.082 -2.363 -15.165 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.562 -2.360 -13.492 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.355 -4.224 -14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.716 -3.783 -15.322 1.00 0.00 H new ATOM 1592 N LEU A 104 5.730 2.413 -15.025 1.00 0.00 N ATOM 1593 CA LEU A 104 5.669 3.863 -14.878 1.00 0.00 C ATOM 1594 C LEU A 104 6.729 4.543 -15.739 1.00 0.00 C ATOM 1595 O LEU A 104 7.759 5.004 -15.249 1.00 0.00 O ATOM 1596 CB LEU A 104 5.858 4.255 -13.412 1.00 0.00 C ATOM 1597 CG LEU A 104 4.952 3.545 -12.405 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.524 3.658 -11.001 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.544 4.120 -12.457 1.00 0.00 C ATOM 0 H LEU A 104 6.553 1.981 -14.605 1.00 0.00 H new ATOM 0 HA LEU A 104 4.687 4.196 -15.213 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.895 4.063 -13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.698 5.329 -13.320 1.00 0.00 H new ATOM 0 HG LEU A 104 4.902 2.489 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.866 3.147 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.512 3.199 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.604 4.709 -10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.913 3.603 -11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.576 5.183 -12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.133 3.987 -13.458 1.00 0.00 H new ATOM 1611 N PRO A 105 6.471 4.609 -17.054 1.00 0.00 N ATOM 1612 CA PRO A 105 7.389 5.233 -18.010 1.00 0.00 C ATOM 1613 C PRO A 105 7.455 6.748 -17.848 1.00 0.00 C ATOM 1614 O PRO A 105 8.136 7.435 -18.607 1.00 0.00 O ATOM 1615 CB PRO A 105 6.789 4.867 -19.370 1.00 0.00 C ATOM 1616 CG PRO A 105 5.341 4.647 -19.098 1.00 0.00 C ATOM 1617 CD PRO A 105 5.262 4.079 -17.708 1.00 0.00 C ATOM 0 HA PRO A 105 8.414 4.888 -17.874 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.938 5.666 -20.097 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.255 3.971 -19.780 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.784 5.581 -19.170 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.907 3.961 -19.825 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.355 4.398 -17.195 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.256 2.989 -17.719 1.00 0.00 H new ATOM 1625 N GLY A 106 6.741 7.263 -16.851 1.00 0.00 N ATOM 1626 CA GLY A 106 6.732 8.693 -16.607 1.00 0.00 C ATOM 1627 C GLY A 106 5.331 9.273 -16.608 1.00 0.00 C ATOM 1628 O GLY A 106 4.723 9.446 -15.552 1.00 0.00 O ATOM 0 H GLY A 106 6.169 6.715 -16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.206 8.898 -15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.329 9.192 -17.370 1.00 0.00 H new