USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0518 USER MOD Single : A 16 SER OG : rot 174:sc= -1.38 USER MOD Single : A 17 THR OG1 : rot 87:sc= 0.574 USER MOD Single : A 18 TYR OH : rot -124:sc= 0.911 USER MOD Single : A 28 LYS NZ :NH3+ 134:sc= -0.0959 (180deg=-0.555) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.07) USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 1.31 (180deg=0.309) USER MOD Single : A 33 TYR OH : rot -100:sc= 1.6 USER MOD Single : A 36 THR OG1 : rot -40:sc= 0.277 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.13) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -131:sc= -0.519 (180deg=-2.53) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.083 (180deg=-0.385) USER MOD Single : A 58 MET CE :methyl -142:sc= -0.761 (180deg=-3.77!) USER MOD Single : A 60 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-0.65) USER MOD Single : A 64 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.187 F(o=-0.68,f=0.19) USER MOD Single : A 77 SER OG : rot 42:sc= 1.23 USER MOD Single : A 78 THR OG1 : rot 70:sc= -0.726! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.117) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -4.141 -8.405 4.643 1.00 0.00 N ATOM 155 CA GLY A 11 -3.439 -7.160 4.699 1.00 0.00 C ATOM 156 C GLY A 11 -2.360 -7.175 3.648 1.00 0.00 C ATOM 157 O GLY A 11 -2.216 -6.247 2.875 1.00 0.00 O ATOM 0 HA2 GLY A 11 -4.124 -6.330 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.004 -7.014 5.688 1.00 0.00 H new ATOM 161 N LEU A 12 -1.670 -8.304 3.571 1.00 0.00 N ATOM 162 CA LEU A 12 -0.555 -8.507 2.645 1.00 0.00 C ATOM 163 C LEU A 12 -1.128 -8.889 1.283 1.00 0.00 C ATOM 164 O LEU A 12 -0.686 -8.414 0.230 1.00 0.00 O ATOM 165 CB LEU A 12 0.318 -9.664 3.199 1.00 0.00 C ATOM 166 CG LEU A 12 1.767 -9.858 2.659 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.479 -10.907 3.494 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.793 -10.293 1.199 1.00 0.00 C ATOM 0 H LEU A 12 -1.868 -9.117 4.155 1.00 0.00 H new ATOM 0 HA LEU A 12 0.049 -7.606 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.387 -9.533 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.223 -10.594 3.024 1.00 0.00 H new ATOM 0 HG LEU A 12 2.269 -8.893 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.493 -11.045 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.518 -10.580 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.938 -11.851 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.826 -10.414 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.266 -11.241 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.305 -9.536 0.585 1.00 0.00 H new ATOM 180 N CYS A 13 -2.130 -9.721 1.329 1.00 0.00 N ATOM 181 CA CYS A 13 -2.758 -10.268 0.152 1.00 0.00 C ATOM 182 C CYS A 13 -3.435 -9.178 -0.710 1.00 0.00 C ATOM 183 O CYS A 13 -3.406 -9.241 -1.933 1.00 0.00 O ATOM 184 CB CYS A 13 -3.749 -11.325 0.599 1.00 0.00 C ATOM 185 SG CYS A 13 -3.022 -12.557 1.711 1.00 0.00 S ATOM 0 H CYS A 13 -2.544 -10.047 2.202 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.999 -10.716 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.586 -10.840 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.153 -11.830 -0.279 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.929 -13.424 2.051 1.00 0.00 H new ATOM 191 N ARG A 14 -4.013 -8.178 -0.073 1.00 0.00 N ATOM 192 CA ARG A 14 -4.665 -7.086 -0.797 1.00 0.00 C ATOM 193 C ARG A 14 -3.624 -6.013 -1.175 1.00 0.00 C ATOM 194 O ARG A 14 -3.832 -5.219 -2.084 1.00 0.00 O ATOM 195 CB ARG A 14 -5.806 -6.508 0.071 1.00 0.00 C ATOM 196 CG ARG A 14 -6.711 -5.466 -0.587 1.00 0.00 C ATOM 197 CD ARG A 14 -7.877 -5.116 0.344 1.00 0.00 C ATOM 198 NE ARG A 14 -8.783 -4.084 -0.207 1.00 0.00 N ATOM 199 CZ ARG A 14 -9.897 -3.624 0.420 1.00 0.00 C ATOM 200 NH1 ARG A 14 -10.353 -4.234 1.520 1.00 0.00 N ATOM 201 NH2 ARG A 14 -10.579 -2.595 -0.078 1.00 0.00 N ATOM 0 H ARG A 14 -4.048 -8.092 0.943 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.102 -7.456 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.430 -7.336 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.363 -6.060 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.137 -4.568 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.093 -5.851 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.451 -6.019 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.479 -4.767 1.297 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.556 -3.691 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.864 -5.048 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.190 -3.885 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.266 -2.144 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.414 -2.257 0.400 1.00 0.00 H new ATOM 215 N LEU A 15 -2.477 -6.068 -0.511 1.00 0.00 N ATOM 216 CA LEU A 15 -1.392 -5.124 -0.692 1.00 0.00 C ATOM 217 C LEU A 15 -0.724 -5.432 -2.039 1.00 0.00 C ATOM 218 O LEU A 15 -0.582 -4.554 -2.901 1.00 0.00 O ATOM 219 CB LEU A 15 -0.399 -5.339 0.488 1.00 0.00 C ATOM 220 CG LEU A 15 0.630 -4.256 0.850 1.00 0.00 C ATOM 221 CD1 LEU A 15 1.439 -4.682 2.055 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.545 -3.919 -0.285 1.00 0.00 C ATOM 0 H LEU A 15 -2.275 -6.788 0.183 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.731 -4.088 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.996 -5.526 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.157 -6.253 0.278 1.00 0.00 H new ATOM 0 HG LEU A 15 0.065 -3.354 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.164 -3.905 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.773 -4.838 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.964 -5.611 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.249 -3.149 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.094 -4.811 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.959 -3.551 -1.128 1.00 0.00 H new ATOM 234 N SER A 16 -0.378 -6.703 -2.217 1.00 0.00 N ATOM 235 CA SER A 16 0.305 -7.185 -3.409 1.00 0.00 C ATOM 236 C SER A 16 -0.527 -6.890 -4.672 1.00 0.00 C ATOM 237 O SER A 16 -0.005 -6.365 -5.660 1.00 0.00 O ATOM 238 CB SER A 16 0.575 -8.698 -3.260 1.00 0.00 C ATOM 239 OG SER A 16 1.405 -9.195 -4.284 1.00 0.00 O ATOM 0 H SER A 16 -0.566 -7.433 -1.530 1.00 0.00 H new ATOM 0 HA SER A 16 1.256 -6.664 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.041 -8.888 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.372 -9.237 -3.269 1.00 0.00 H new ATOM 0 HG SER A 16 1.629 -10.131 -4.098 1.00 0.00 H new ATOM 245 N THR A 17 -1.831 -7.157 -4.585 1.00 0.00 N ATOM 246 CA THR A 17 -2.773 -6.972 -5.679 1.00 0.00 C ATOM 247 C THR A 17 -2.756 -5.538 -6.253 1.00 0.00 C ATOM 248 O THR A 17 -2.872 -5.342 -7.472 1.00 0.00 O ATOM 249 CB THR A 17 -4.187 -7.335 -5.190 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.170 -8.688 -4.718 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.229 -7.190 -6.293 1.00 0.00 C ATOM 0 H THR A 17 -2.266 -7.514 -3.734 1.00 0.00 H new ATOM 0 HA THR A 17 -2.470 -7.631 -6.492 1.00 0.00 H new ATOM 0 HB THR A 17 -4.464 -6.647 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.895 -8.703 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.211 -7.456 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.246 -6.158 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.976 -7.851 -7.122 1.00 0.00 H new ATOM 259 N TYR A 18 -2.578 -4.551 -5.403 1.00 0.00 N ATOM 260 CA TYR A 18 -2.580 -3.187 -5.872 1.00 0.00 C ATOM 261 C TYR A 18 -1.213 -2.755 -6.381 1.00 0.00 C ATOM 262 O TYR A 18 -1.109 -1.933 -7.288 1.00 0.00 O ATOM 263 CB TYR A 18 -3.167 -2.227 -4.840 1.00 0.00 C ATOM 264 CG TYR A 18 -4.650 -2.446 -4.600 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.543 -2.523 -5.661 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.152 -2.587 -3.326 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.885 -2.727 -5.452 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.506 -2.793 -3.105 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.363 -2.860 -4.172 1.00 0.00 C ATOM 270 OH TYR A 18 -8.710 -3.071 -3.965 1.00 0.00 O ATOM 0 H TYR A 18 -2.432 -4.665 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.246 -3.144 -6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.631 -2.344 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.006 -1.202 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.175 -2.420 -6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.479 -2.536 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.562 -2.783 -6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.882 -2.900 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.061 -2.380 -3.365 1.00 0.00 H new ATOM 280 N LEU A 19 -0.173 -3.353 -5.850 1.00 0.00 N ATOM 281 CA LEU A 19 1.178 -3.078 -6.324 1.00 0.00 C ATOM 282 C LEU A 19 1.367 -3.649 -7.730 1.00 0.00 C ATOM 283 O LEU A 19 2.172 -3.153 -8.513 1.00 0.00 O ATOM 284 CB LEU A 19 2.214 -3.664 -5.371 1.00 0.00 C ATOM 285 CG LEU A 19 2.330 -3.018 -3.994 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.269 -3.829 -3.139 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.851 -1.601 -4.124 1.00 0.00 C ATOM 0 H LEU A 19 -0.228 -4.033 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 19 1.319 -1.998 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.987 -4.721 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.189 -3.609 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 19 1.345 -2.989 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.353 -3.369 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.882 -4.843 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.252 -3.863 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.930 -1.150 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.834 -1.617 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.165 -1.016 -4.736 1.00 0.00 H new ATOM 299 N GLU A 20 0.595 -4.692 -8.027 1.00 0.00 N ATOM 300 CA GLU A 20 0.585 -5.356 -9.328 1.00 0.00 C ATOM 301 C GLU A 20 0.279 -4.405 -10.486 1.00 0.00 C ATOM 302 O GLU A 20 0.775 -4.599 -11.602 1.00 0.00 O ATOM 303 CB GLU A 20 -0.439 -6.487 -9.330 1.00 0.00 C ATOM 304 CG GLU A 20 -0.044 -7.711 -8.523 1.00 0.00 C ATOM 305 CD GLU A 20 1.109 -8.462 -9.139 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.553 -8.106 -10.247 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.571 -9.458 -8.563 1.00 0.00 O ATOM 0 H GLU A 20 -0.053 -5.107 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 20 1.591 -5.746 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.383 -6.103 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.619 -6.792 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.225 -7.404 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.902 -8.377 -8.436 1.00 0.00 H new ATOM 314 N GLU A 21 -0.511 -3.378 -10.221 1.00 0.00 N ATOM 315 CA GLU A 21 -0.931 -2.451 -11.255 1.00 0.00 C ATOM 316 C GLU A 21 -0.013 -1.236 -11.309 1.00 0.00 C ATOM 317 O GLU A 21 -0.415 -0.155 -11.786 1.00 0.00 O ATOM 318 CB GLU A 21 -2.353 -2.003 -10.977 1.00 0.00 C ATOM 319 CG GLU A 21 -3.370 -3.132 -10.937 1.00 0.00 C ATOM 320 CD GLU A 21 -3.507 -3.840 -12.262 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.348 -3.420 -13.090 1.00 0.00 O ATOM 322 OE2 GLU A 21 -2.799 -4.825 -12.502 1.00 0.00 O ATOM 0 H GLU A 21 -0.876 -3.166 -9.292 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.880 -2.959 -12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.375 -1.476 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.652 -1.288 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.077 -3.853 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.340 -2.731 -10.642 1.00 0.00 H new ATOM 329 N LEU A 22 1.195 -1.395 -10.824 1.00 0.00 N ATOM 330 CA LEU A 22 2.179 -0.345 -10.864 1.00 0.00 C ATOM 331 C LEU A 22 3.343 -0.808 -11.709 1.00 0.00 C ATOM 332 O LEU A 22 3.652 -2.004 -11.752 1.00 0.00 O ATOM 333 CB LEU A 22 2.681 0.012 -9.453 1.00 0.00 C ATOM 334 CG LEU A 22 1.629 0.422 -8.423 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.290 0.756 -7.104 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.822 1.603 -8.910 1.00 0.00 C ATOM 0 H LEU A 22 1.522 -2.258 -10.390 1.00 0.00 H new ATOM 0 HA LEU A 22 1.721 0.547 -11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.223 -0.848 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.399 0.827 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 22 0.951 -0.420 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.530 1.046 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.828 -0.117 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.989 1.580 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.081 1.873 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.486 2.450 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.316 1.340 -9.839 1.00 0.00 H new ATOM 348 N GLU A 23 3.958 0.106 -12.402 1.00 0.00 N ATOM 349 CA GLU A 23 5.110 -0.217 -13.204 1.00 0.00 C ATOM 350 C GLU A 23 6.370 0.134 -12.428 1.00 0.00 C ATOM 351 O GLU A 23 6.267 0.691 -11.329 1.00 0.00 O ATOM 352 CB GLU A 23 5.054 0.505 -14.544 1.00 0.00 C ATOM 353 CG GLU A 23 5.062 2.001 -14.453 1.00 0.00 C ATOM 354 CD GLU A 23 5.080 2.639 -15.806 1.00 0.00 C ATOM 355 OE1 GLU A 23 6.149 2.680 -16.433 1.00 0.00 O ATOM 356 OE2 GLU A 23 4.034 3.110 -16.267 1.00 0.00 O ATOM 0 H GLU A 23 3.682 1.087 -12.430 1.00 0.00 H new ATOM 0 HA GLU A 23 5.119 -1.285 -13.419 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.904 0.187 -15.148 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.153 0.192 -15.072 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.182 2.337 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.934 2.326 -13.886 1.00 0.00 H new ATOM 363 N ALA A 24 7.538 -0.159 -12.993 1.00 0.00 N ATOM 364 CA ALA A 24 8.825 0.069 -12.324 1.00 0.00 C ATOM 365 C ALA A 24 8.979 1.495 -11.791 1.00 0.00 C ATOM 366 O ALA A 24 9.348 1.678 -10.633 1.00 0.00 O ATOM 367 CB ALA A 24 9.991 -0.302 -13.223 1.00 0.00 C ATOM 0 H ALA A 24 7.624 -0.561 -13.927 1.00 0.00 H new ATOM 0 HA ALA A 24 8.835 -0.591 -11.457 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.928 -0.121 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.923 -1.356 -13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.960 0.305 -14.128 1.00 0.00 H new ATOM 373 N VAL A 25 8.658 2.500 -12.607 1.00 0.00 N ATOM 374 CA VAL A 25 8.772 3.894 -12.150 1.00 0.00 C ATOM 375 C VAL A 25 7.765 4.202 -11.030 1.00 0.00 C ATOM 376 O VAL A 25 8.095 4.874 -10.053 1.00 0.00 O ATOM 377 CB VAL A 25 8.655 4.952 -13.308 1.00 0.00 C ATOM 378 CG1 VAL A 25 7.334 4.858 -14.033 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.842 6.362 -12.780 1.00 0.00 C ATOM 0 H VAL A 25 8.325 2.385 -13.564 1.00 0.00 H new ATOM 0 HA VAL A 25 9.782 3.987 -11.752 1.00 0.00 H new ATOM 0 HB VAL A 25 9.450 4.724 -14.017 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.299 5.607 -14.824 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.228 3.865 -14.469 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.520 5.034 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.756 7.073 -13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.076 6.576 -12.034 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.828 6.452 -12.324 1.00 0.00 H new ATOM 389 N GLU A 26 6.568 3.653 -11.141 1.00 0.00 N ATOM 390 CA GLU A 26 5.528 3.901 -10.160 1.00 0.00 C ATOM 391 C GLU A 26 5.897 3.242 -8.834 1.00 0.00 C ATOM 392 O GLU A 26 5.722 3.828 -7.764 1.00 0.00 O ATOM 393 CB GLU A 26 4.177 3.412 -10.680 1.00 0.00 C ATOM 394 CG GLU A 26 3.767 4.044 -12.013 1.00 0.00 C ATOM 395 CD GLU A 26 3.663 5.557 -11.967 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.799 6.105 -11.241 1.00 0.00 O ATOM 397 OE2 GLU A 26 4.482 6.236 -12.622 1.00 0.00 O ATOM 0 H GLU A 26 6.293 3.032 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 26 5.442 4.974 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.213 2.329 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.411 3.627 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.492 3.762 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.805 3.632 -12.319 1.00 0.00 H new ATOM 404 N LEU A 27 6.454 2.046 -8.925 1.00 0.00 N ATOM 405 CA LEU A 27 6.943 1.325 -7.761 1.00 0.00 C ATOM 406 C LEU A 27 8.108 2.080 -7.133 1.00 0.00 C ATOM 407 O LEU A 27 8.192 2.217 -5.911 1.00 0.00 O ATOM 408 CB LEU A 27 7.392 -0.089 -8.144 1.00 0.00 C ATOM 409 CG LEU A 27 6.304 -1.070 -8.599 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.935 -2.353 -9.115 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.367 -1.389 -7.446 1.00 0.00 C ATOM 0 H LEU A 27 6.580 1.548 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 27 6.129 1.248 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.127 -0.005 -8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.903 -0.525 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 27 5.734 -0.605 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.152 -3.041 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.585 -2.125 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.522 -2.815 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.600 -2.086 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.933 -1.839 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.895 -0.471 -7.096 1.00 0.00 H new ATOM 423 N LYS A 28 8.989 2.598 -7.980 1.00 0.00 N ATOM 424 CA LYS A 28 10.152 3.347 -7.538 1.00 0.00 C ATOM 425 C LYS A 28 9.726 4.570 -6.727 1.00 0.00 C ATOM 426 O LYS A 28 10.314 4.868 -5.684 1.00 0.00 O ATOM 427 CB LYS A 28 11.010 3.776 -8.735 1.00 0.00 C ATOM 428 CG LYS A 28 12.312 4.443 -8.341 1.00 0.00 C ATOM 429 CD LYS A 28 13.134 4.846 -9.547 1.00 0.00 C ATOM 430 CE LYS A 28 14.489 5.388 -9.120 1.00 0.00 C ATOM 431 NZ LYS A 28 15.275 4.371 -8.378 1.00 0.00 N ATOM 0 H LYS A 28 8.914 2.509 -8.993 1.00 0.00 H new ATOM 0 HA LYS A 28 10.751 2.697 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.230 2.900 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.434 4.461 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.099 5.325 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.893 3.763 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.271 3.986 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.599 5.603 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.047 5.709 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.348 6.268 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.250 4.354 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.285 4.611 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.841 3.435 -8.507 1.00 0.00 H new ATOM 445 N LYS A 29 8.684 5.242 -7.191 1.00 0.00 N ATOM 446 CA LYS A 29 8.168 6.423 -6.517 1.00 0.00 C ATOM 447 C LYS A 29 7.583 6.072 -5.156 1.00 0.00 C ATOM 448 O LYS A 29 7.819 6.769 -4.168 1.00 0.00 O ATOM 449 CB LYS A 29 7.106 7.126 -7.350 1.00 0.00 C ATOM 450 CG LYS A 29 7.593 7.685 -8.681 1.00 0.00 C ATOM 451 CD LYS A 29 6.494 8.471 -9.378 1.00 0.00 C ATOM 452 CE LYS A 29 5.349 7.577 -9.792 1.00 0.00 C ATOM 453 NZ LYS A 29 4.228 8.327 -10.381 1.00 0.00 N ATOM 0 H LYS A 29 8.176 4.987 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 29 9.013 7.098 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.295 6.424 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.687 7.943 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.456 8.330 -8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.924 6.869 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.125 9.251 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.903 8.969 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.709 6.843 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.994 7.023 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.456 7.670 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.886 9.033 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.548 8.808 -11.245 1.00 0.00 H new ATOM 467 N PHE A 30 6.837 4.986 -5.105 1.00 0.00 N ATOM 468 CA PHE A 30 6.217 4.557 -3.867 1.00 0.00 C ATOM 469 C PHE A 30 7.272 4.131 -2.838 1.00 0.00 C ATOM 470 O PHE A 30 7.198 4.506 -1.665 1.00 0.00 O ATOM 471 CB PHE A 30 5.123 3.466 -4.137 1.00 0.00 C ATOM 472 CG PHE A 30 5.289 2.135 -3.427 1.00 0.00 C ATOM 473 CD1 PHE A 30 6.006 1.120 -4.021 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.723 1.902 -2.177 1.00 0.00 C ATOM 475 CE1 PHE A 30 6.168 -0.093 -3.402 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.885 0.680 -1.552 1.00 0.00 C ATOM 477 CZ PHE A 30 5.610 -0.315 -2.168 1.00 0.00 C ATOM 0 H PHE A 30 6.646 4.385 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 30 5.694 5.404 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.154 3.881 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.091 3.276 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.449 1.282 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.154 2.681 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.735 -0.874 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.443 0.506 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.740 -1.270 -1.680 1.00 0.00 H new ATOM 487 N LYS A 31 8.295 3.427 -3.291 1.00 0.00 N ATOM 488 CA LYS A 31 9.306 2.933 -2.377 1.00 0.00 C ATOM 489 C LYS A 31 10.299 4.003 -1.982 1.00 0.00 C ATOM 490 O LYS A 31 11.000 3.853 -0.985 1.00 0.00 O ATOM 491 CB LYS A 31 10.006 1.685 -2.907 1.00 0.00 C ATOM 492 CG LYS A 31 10.946 1.896 -4.065 1.00 0.00 C ATOM 493 CD LYS A 31 11.494 0.568 -4.541 1.00 0.00 C ATOM 494 CE LYS A 31 12.652 0.735 -5.505 1.00 0.00 C ATOM 495 NZ LYS A 31 13.808 1.381 -4.853 1.00 0.00 N ATOM 0 H LYS A 31 8.445 3.188 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 31 8.777 2.641 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.565 1.231 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.244 0.966 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.424 2.396 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.765 2.549 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.821 -0.016 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.699 0.002 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.949 -0.240 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.333 1.333 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.689 1.022 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.753 2.410 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.797 1.166 -3.835 1.00 0.00 H new ATOM 509 N LEU A 32 10.383 5.071 -2.741 1.00 0.00 N ATOM 510 CA LEU A 32 11.225 6.147 -2.317 1.00 0.00 C ATOM 511 C LEU A 32 10.489 6.952 -1.280 1.00 0.00 C ATOM 512 O LEU A 32 11.055 7.319 -0.262 1.00 0.00 O ATOM 513 CB LEU A 32 11.772 7.005 -3.502 1.00 0.00 C ATOM 514 CG LEU A 32 10.801 7.835 -4.380 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.376 9.143 -3.713 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.425 8.112 -5.736 1.00 0.00 C ATOM 0 H LEU A 32 9.894 5.210 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 32 12.127 5.735 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.505 7.698 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.312 6.330 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 32 9.899 7.238 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.697 9.684 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.871 8.924 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.257 9.755 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.733 8.696 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.351 8.671 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.640 7.168 -6.237 1.00 0.00 H new ATOM 528 N TYR A 33 9.189 7.117 -1.498 1.00 0.00 N ATOM 529 CA TYR A 33 8.367 7.908 -0.619 1.00 0.00 C ATOM 530 C TYR A 33 8.332 7.330 0.783 1.00 0.00 C ATOM 531 O TYR A 33 8.515 8.046 1.735 1.00 0.00 O ATOM 532 CB TYR A 33 6.943 8.074 -1.169 1.00 0.00 C ATOM 533 CG TYR A 33 6.093 9.005 -0.327 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.106 10.372 -0.557 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.311 8.520 0.718 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.365 11.231 0.220 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.576 9.368 1.505 1.00 0.00 C ATOM 538 CZ TYR A 33 4.606 10.732 1.252 1.00 0.00 C ATOM 539 OH TYR A 33 3.881 11.600 2.038 1.00 0.00 O ATOM 0 H TYR A 33 8.688 6.706 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 33 8.823 8.896 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.994 8.458 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.462 7.097 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.709 10.769 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.283 7.458 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.379 12.292 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.978 8.978 2.315 1.00 0.00 H new ATOM 0 HH TYR A 33 4.367 11.769 2.872 1.00 0.00 H new ATOM 549 N LEU A 34 8.106 6.043 0.903 1.00 0.00 N ATOM 550 CA LEU A 34 8.027 5.446 2.225 1.00 0.00 C ATOM 551 C LEU A 34 9.313 4.766 2.665 1.00 0.00 C ATOM 552 O LEU A 34 9.428 4.320 3.801 1.00 0.00 O ATOM 553 CB LEU A 34 6.804 4.519 2.354 1.00 0.00 C ATOM 554 CG LEU A 34 6.582 3.442 1.267 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.641 2.348 1.290 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.209 2.849 1.419 1.00 0.00 C ATOM 0 H LEU A 34 7.976 5.398 0.124 1.00 0.00 H new ATOM 0 HA LEU A 34 7.889 6.274 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.872 4.011 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.913 5.146 2.387 1.00 0.00 H new ATOM 0 HG LEU A 34 6.670 3.934 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.431 1.622 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.624 2.789 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.627 1.849 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.054 2.090 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.117 2.393 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.460 3.633 1.310 1.00 0.00 H new ATOM 568 N GLY A 35 10.276 4.692 1.793 1.00 0.00 N ATOM 569 CA GLY A 35 11.486 4.004 2.155 1.00 0.00 C ATOM 570 C GLY A 35 12.540 4.941 2.706 1.00 0.00 C ATOM 571 O GLY A 35 13.117 4.678 3.754 1.00 0.00 O ATOM 0 H GLY A 35 10.254 5.086 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.258 3.240 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.883 3.489 1.281 1.00 0.00 H new ATOM 575 N THR A 36 12.765 6.049 2.026 1.00 0.00 N ATOM 576 CA THR A 36 13.768 7.039 2.469 1.00 0.00 C ATOM 577 C THR A 36 13.034 8.240 3.126 1.00 0.00 C ATOM 578 O THR A 36 13.556 9.368 3.249 1.00 0.00 O ATOM 579 CB THR A 36 14.700 7.482 1.265 1.00 0.00 C ATOM 580 OG1 THR A 36 15.772 8.345 1.698 1.00 0.00 O ATOM 581 CG2 THR A 36 13.917 8.177 0.166 1.00 0.00 C ATOM 0 H THR A 36 12.277 6.299 1.166 1.00 0.00 H new ATOM 0 HA THR A 36 14.427 6.592 3.213 1.00 0.00 H new ATOM 0 HB THR A 36 15.127 6.561 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.434 8.975 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.595 8.463 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.157 7.500 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.436 9.068 0.570 1.00 0.00 H new ATOM 589 N ALA A 37 11.837 7.947 3.592 1.00 0.00 N ATOM 590 CA ALA A 37 10.948 8.912 4.205 1.00 0.00 C ATOM 591 C ALA A 37 11.486 9.458 5.510 1.00 0.00 C ATOM 592 O ALA A 37 11.783 8.696 6.444 1.00 0.00 O ATOM 593 CB ALA A 37 9.621 8.267 4.479 1.00 0.00 C ATOM 0 H ALA A 37 11.446 7.006 3.554 1.00 0.00 H new ATOM 0 HA ALA A 37 10.852 9.741 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.952 8.993 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.186 7.917 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.760 7.422 5.153 1.00 0.00 H new ATOM 599 N THR A 38 11.580 10.762 5.588 1.00 0.00 N ATOM 600 CA THR A 38 11.947 11.434 6.805 1.00 0.00 C ATOM 601 C THR A 38 10.742 11.425 7.741 1.00 0.00 C ATOM 602 O THR A 38 10.877 11.387 8.958 1.00 0.00 O ATOM 603 CB THR A 38 12.387 12.890 6.529 1.00 0.00 C ATOM 604 OG1 THR A 38 13.408 12.898 5.510 1.00 0.00 O ATOM 605 CG2 THR A 38 12.940 13.535 7.796 1.00 0.00 C ATOM 0 H THR A 38 11.403 11.389 4.803 1.00 0.00 H new ATOM 0 HA THR A 38 12.790 10.915 7.261 1.00 0.00 H new ATOM 0 HB THR A 38 11.519 13.458 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.686 13.821 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.244 14.559 7.580 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.170 13.540 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.802 12.967 8.147 1.00 0.00 H new ATOM 613 N GLU A 39 9.559 11.375 7.143 1.00 0.00 N ATOM 614 CA GLU A 39 8.304 11.350 7.900 1.00 0.00 C ATOM 615 C GLU A 39 8.144 10.048 8.686 1.00 0.00 C ATOM 616 O GLU A 39 7.322 9.953 9.571 1.00 0.00 O ATOM 617 CB GLU A 39 7.073 11.598 7.003 1.00 0.00 C ATOM 618 CG GLU A 39 6.893 10.604 5.863 1.00 0.00 C ATOM 619 CD GLU A 39 5.571 10.779 5.152 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.462 11.647 4.274 1.00 0.00 O ATOM 621 OE2 GLU A 39 4.612 10.058 5.474 1.00 0.00 O ATOM 0 H GLU A 39 9.437 11.351 6.131 1.00 0.00 H new ATOM 0 HA GLU A 39 8.360 12.173 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.179 11.578 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.146 12.601 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.706 10.724 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.961 9.589 6.255 1.00 0.00 H new ATOM 628 N LEU A 40 8.925 9.049 8.338 1.00 0.00 N ATOM 629 CA LEU A 40 8.921 7.776 9.056 1.00 0.00 C ATOM 630 C LEU A 40 10.028 7.738 10.084 1.00 0.00 C ATOM 631 O LEU A 40 10.201 6.736 10.791 1.00 0.00 O ATOM 632 CB LEU A 40 9.109 6.600 8.103 1.00 0.00 C ATOM 633 CG LEU A 40 7.860 5.974 7.469 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.067 6.949 6.627 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.263 4.788 6.643 1.00 0.00 C ATOM 0 H LEU A 40 9.579 9.087 7.556 1.00 0.00 H new ATOM 0 HA LEU A 40 7.952 7.692 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.764 6.927 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.637 5.815 8.643 1.00 0.00 H new ATOM 0 HG LEU A 40 7.204 5.666 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.197 6.444 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.738 7.782 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.694 7.324 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.377 4.341 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.949 5.107 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.756 4.053 7.279 1.00 0.00 H new ATOM 647 N GLY A 41 10.783 8.806 10.147 1.00 0.00 N ATOM 648 CA GLY A 41 11.911 8.890 11.030 1.00 0.00 C ATOM 649 C GLY A 41 13.083 8.137 10.465 1.00 0.00 C ATOM 650 O GLY A 41 13.963 8.718 9.826 1.00 0.00 O ATOM 0 H GLY A 41 10.629 9.643 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.183 9.934 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.647 8.483 12.006 1.00 0.00 H new ATOM 654 N GLU A 42 13.060 6.845 10.648 1.00 0.00 N ATOM 655 CA GLU A 42 14.112 5.975 10.169 1.00 0.00 C ATOM 656 C GLU A 42 13.975 5.745 8.688 1.00 0.00 C ATOM 657 O GLU A 42 14.931 5.882 7.933 1.00 0.00 O ATOM 658 CB GLU A 42 14.027 4.604 10.828 1.00 0.00 C ATOM 659 CG GLU A 42 14.076 4.591 12.327 1.00 0.00 C ATOM 660 CD GLU A 42 14.027 3.186 12.851 1.00 0.00 C ATOM 661 OE1 GLU A 42 12.929 2.663 13.082 1.00 0.00 O ATOM 662 OE2 GLU A 42 15.093 2.577 13.038 1.00 0.00 O ATOM 0 H GLU A 42 12.308 6.358 11.136 1.00 0.00 H new ATOM 0 HA GLU A 42 15.057 6.463 10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.100 4.127 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.846 3.991 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.988 5.080 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.239 5.162 12.727 1.00 0.00 H new ATOM 669 N GLY A 43 12.765 5.429 8.279 1.00 0.00 N ATOM 670 CA GLY A 43 12.559 4.934 6.950 1.00 0.00 C ATOM 671 C GLY A 43 12.867 3.461 7.002 1.00 0.00 C ATOM 672 O GLY A 43 14.009 3.056 6.830 1.00 0.00 O ATOM 0 H GLY A 43 11.921 5.508 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.533 5.107 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.209 5.444 6.239 1.00 0.00 H new ATOM 676 N LYS A 44 11.845 2.670 7.284 1.00 0.00 N ATOM 677 CA LYS A 44 12.004 1.251 7.598 1.00 0.00 C ATOM 678 C LYS A 44 12.675 0.447 6.503 1.00 0.00 C ATOM 679 O LYS A 44 13.444 -0.469 6.790 1.00 0.00 O ATOM 680 CB LYS A 44 10.665 0.614 7.951 1.00 0.00 C ATOM 681 CG LYS A 44 10.005 1.114 9.237 1.00 0.00 C ATOM 682 CD LYS A 44 10.853 0.819 10.471 1.00 0.00 C ATOM 683 CE LYS A 44 10.100 1.154 11.749 1.00 0.00 C ATOM 684 NZ LYS A 44 10.923 0.944 12.957 1.00 0.00 N ATOM 0 H LYS A 44 10.877 2.990 7.303 1.00 0.00 H new ATOM 0 HA LYS A 44 12.669 1.224 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.976 0.781 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.808 -0.463 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.836 2.188 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.028 0.644 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.136 -0.234 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.776 1.397 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.771 2.193 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.203 0.538 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.426 1.327 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.089 -0.074 13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.835 1.431 12.845 1.00 0.00 H new ATOM 698 N ILE A 45 12.410 0.787 5.271 1.00 0.00 N ATOM 699 CA ILE A 45 12.943 0.021 4.171 1.00 0.00 C ATOM 700 C ILE A 45 14.362 0.445 3.864 1.00 0.00 C ATOM 701 O ILE A 45 14.612 1.632 3.612 1.00 0.00 O ATOM 702 CB ILE A 45 12.115 0.193 2.883 1.00 0.00 C ATOM 703 CG1 ILE A 45 10.633 -0.131 3.136 1.00 0.00 C ATOM 704 CG2 ILE A 45 12.695 -0.702 1.773 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.355 -1.582 3.517 1.00 0.00 C ATOM 0 H ILE A 45 11.832 1.583 5.002 1.00 0.00 H new ATOM 0 HA ILE A 45 12.908 -1.023 4.483 1.00 0.00 H new ATOM 0 HB ILE A 45 12.172 1.233 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.264 0.517 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.064 0.110 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.108 -0.579 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.729 -0.417 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.659 -1.744 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.285 -1.718 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.689 -2.239 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.892 -1.827 4.433 1.00 0.00 H new ATOM 717 N PRO A 46 15.315 -0.491 3.892 1.00 0.00 N ATOM 718 CA PRO A 46 16.656 -0.208 3.479 1.00 0.00 C ATOM 719 C PRO A 46 16.700 0.132 1.985 1.00 0.00 C ATOM 720 O PRO A 46 16.037 -0.514 1.143 1.00 0.00 O ATOM 721 CB PRO A 46 17.446 -1.472 3.794 1.00 0.00 C ATOM 722 CG PRO A 46 16.431 -2.533 3.986 1.00 0.00 C ATOM 723 CD PRO A 46 15.149 -1.872 4.364 1.00 0.00 C ATOM 0 HA PRO A 46 17.074 0.657 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.127 -1.722 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.053 -1.343 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.307 -3.113 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.747 -3.228 4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.295 -2.356 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.982 -1.910 5.440 1.00 0.00 H new ATOM 731 N TRP A 47 17.492 1.128 1.709 1.00 0.00 N ATOM 732 CA TRP A 47 17.675 1.824 0.436 1.00 0.00 C ATOM 733 C TRP A 47 17.575 0.958 -0.830 1.00 0.00 C ATOM 734 O TRP A 47 16.912 1.363 -1.796 1.00 0.00 O ATOM 735 CB TRP A 47 19.010 2.572 0.491 1.00 0.00 C ATOM 736 CG TRP A 47 19.100 3.512 1.669 1.00 0.00 C ATOM 737 CD1 TRP A 47 18.865 4.851 1.661 1.00 0.00 C ATOM 738 CD2 TRP A 47 19.418 3.169 3.037 1.00 0.00 C ATOM 739 NE1 TRP A 47 19.024 5.365 2.922 1.00 0.00 N ATOM 740 CE2 TRP A 47 19.355 4.353 3.785 1.00 0.00 C ATOM 741 CE3 TRP A 47 19.742 1.970 3.693 1.00 0.00 C ATOM 742 CZ2 TRP A 47 19.607 4.382 5.156 1.00 0.00 C ATOM 743 CZ3 TRP A 47 19.986 1.994 5.046 1.00 0.00 C ATOM 744 CH2 TRP A 47 19.915 3.194 5.769 1.00 0.00 C ATOM 0 H TRP A 47 18.092 1.524 2.432 1.00 0.00 H new ATOM 0 HA TRP A 47 16.831 2.506 0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 47 19.825 1.850 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.144 3.137 -0.431 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.593 5.426 0.788 1.00 0.00 H new ATOM 0 HE1 TRP A 47 18.913 6.346 3.178 1.00 0.00 H new ATOM 0 HE3 TRP A 47 19.799 1.043 3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 19.561 5.305 5.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.236 1.077 5.559 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.107 3.182 6.832 1.00 0.00 H new ATOM 755 N GLY A 48 18.163 -0.217 -0.826 1.00 0.00 N ATOM 756 CA GLY A 48 18.158 -1.018 -2.024 1.00 0.00 C ATOM 757 C GLY A 48 17.599 -2.404 -1.806 1.00 0.00 C ATOM 758 O GLY A 48 17.999 -3.354 -2.481 1.00 0.00 O ATOM 0 H GLY A 48 18.640 -0.630 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.571 -0.512 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.176 -1.099 -2.404 1.00 0.00 H new ATOM 762 N SER A 49 16.686 -2.542 -0.871 1.00 0.00 N ATOM 763 CA SER A 49 16.116 -3.835 -0.604 1.00 0.00 C ATOM 764 C SER A 49 14.884 -4.091 -1.479 1.00 0.00 C ATOM 765 O SER A 49 14.505 -5.237 -1.711 1.00 0.00 O ATOM 766 CB SER A 49 15.798 -3.960 0.882 1.00 0.00 C ATOM 767 OG SER A 49 15.387 -5.269 1.247 1.00 0.00 O ATOM 0 H SER A 49 16.328 -1.783 -0.291 1.00 0.00 H new ATOM 0 HA SER A 49 16.844 -4.604 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.679 -3.685 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.012 -3.251 1.142 1.00 0.00 H new ATOM 0 HG SER A 49 15.197 -5.296 2.208 1.00 0.00 H new ATOM 773 N MET A 50 14.269 -3.040 -2.001 1.00 0.00 N ATOM 774 CA MET A 50 13.102 -3.244 -2.846 1.00 0.00 C ATOM 775 C MET A 50 13.382 -2.873 -4.298 1.00 0.00 C ATOM 776 O MET A 50 12.484 -2.518 -5.038 1.00 0.00 O ATOM 777 CB MET A 50 11.826 -2.540 -2.311 1.00 0.00 C ATOM 778 CG MET A 50 11.380 -3.031 -0.945 1.00 0.00 C ATOM 779 SD MET A 50 9.647 -2.676 -0.539 1.00 0.00 S ATOM 780 CE MET A 50 9.592 -0.899 -0.624 1.00 0.00 C ATOM 0 H MET A 50 14.546 -2.068 -1.861 1.00 0.00 H new ATOM 0 HA MET A 50 12.893 -4.313 -2.811 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.010 -1.467 -2.258 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.014 -2.690 -3.023 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.538 -4.108 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.017 -2.578 -0.185 1.00 0.00 H new ATOM 0 HE1 MET A 50 9.111 -0.507 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 50 10.607 -0.506 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 50 9.025 -0.594 -1.503 1.00 0.00 H new ATOM 790 N GLU A 51 14.631 -3.010 -4.710 1.00 0.00 N ATOM 791 CA GLU A 51 15.018 -2.751 -6.093 1.00 0.00 C ATOM 792 C GLU A 51 14.570 -3.906 -6.977 1.00 0.00 C ATOM 793 O GLU A 51 13.834 -3.721 -7.944 1.00 0.00 O ATOM 794 CB GLU A 51 16.539 -2.601 -6.232 1.00 0.00 C ATOM 795 CG GLU A 51 17.139 -1.375 -5.583 1.00 0.00 C ATOM 796 CD GLU A 51 16.673 -0.107 -6.234 1.00 0.00 C ATOM 797 OE1 GLU A 51 16.648 -0.039 -7.481 1.00 0.00 O ATOM 798 OE2 GLU A 51 16.288 0.831 -5.525 1.00 0.00 O ATOM 0 H GLU A 51 15.400 -3.300 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 51 14.539 -1.821 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.013 -3.485 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.789 -2.587 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.873 -1.358 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.226 -1.432 -5.638 1.00 0.00 H new ATOM 805 N LYS A 52 15.013 -5.095 -6.616 1.00 0.00 N ATOM 806 CA LYS A 52 14.741 -6.311 -7.380 1.00 0.00 C ATOM 807 C LYS A 52 13.429 -6.942 -6.966 1.00 0.00 C ATOM 808 O LYS A 52 12.918 -7.844 -7.639 1.00 0.00 O ATOM 809 CB LYS A 52 15.864 -7.316 -7.165 1.00 0.00 C ATOM 810 CG LYS A 52 17.229 -6.849 -7.628 1.00 0.00 C ATOM 811 CD LYS A 52 17.279 -6.665 -9.133 1.00 0.00 C ATOM 812 CE LYS A 52 18.672 -6.290 -9.595 1.00 0.00 C ATOM 813 NZ LYS A 52 19.671 -7.334 -9.274 1.00 0.00 N ATOM 0 H LYS A 52 15.576 -5.252 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 52 14.677 -6.036 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.919 -7.558 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.613 -8.238 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.477 -5.907 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.984 -7.575 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.966 -7.586 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.574 -5.889 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.662 -6.119 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.967 -5.351 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.527 -7.182 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.914 -7.283 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.275 -8.271 -9.488 1.00 0.00 H new ATOM 827 N ALA A 53 12.908 -6.484 -5.866 1.00 0.00 N ATOM 828 CA ALA A 53 11.668 -6.995 -5.340 1.00 0.00 C ATOM 829 C ALA A 53 10.515 -6.446 -6.152 1.00 0.00 C ATOM 830 O ALA A 53 10.453 -5.246 -6.399 1.00 0.00 O ATOM 831 CB ALA A 53 11.522 -6.600 -3.877 1.00 0.00 C ATOM 0 H ALA A 53 13.329 -5.744 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 53 11.665 -8.083 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.582 -6.990 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.352 -7.013 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.527 -5.513 -3.791 1.00 0.00 H new ATOM 837 N GLY A 54 9.648 -7.310 -6.614 1.00 0.00 N ATOM 838 CA GLY A 54 8.516 -6.880 -7.348 1.00 0.00 C ATOM 839 C GLY A 54 7.343 -6.671 -6.431 1.00 0.00 C ATOM 840 O GLY A 54 7.495 -6.787 -5.215 1.00 0.00 O ATOM 0 H GLY A 54 9.717 -8.320 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.746 -5.952 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.264 -7.621 -8.107 1.00 0.00 H new ATOM 844 N PRO A 55 6.161 -6.421 -6.981 1.00 0.00 N ATOM 845 CA PRO A 55 4.933 -6.154 -6.210 1.00 0.00 C ATOM 846 C PRO A 55 4.669 -7.217 -5.134 1.00 0.00 C ATOM 847 O PRO A 55 4.399 -6.891 -3.966 1.00 0.00 O ATOM 848 CB PRO A 55 3.830 -6.205 -7.269 1.00 0.00 C ATOM 849 CG PRO A 55 4.509 -5.899 -8.557 1.00 0.00 C ATOM 850 CD PRO A 55 5.928 -6.375 -8.423 1.00 0.00 C ATOM 0 HA PRO A 55 4.996 -5.207 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.357 -7.186 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.046 -5.479 -7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.010 -6.400 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.478 -4.830 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.063 -7.356 -8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.623 -5.696 -8.916 1.00 0.00 H new ATOM 858 N LEU A 56 4.830 -8.476 -5.517 1.00 0.00 N ATOM 859 CA LEU A 56 4.546 -9.601 -4.618 1.00 0.00 C ATOM 860 C LEU A 56 5.554 -9.671 -3.486 1.00 0.00 C ATOM 861 O LEU A 56 5.243 -10.143 -2.404 1.00 0.00 O ATOM 862 CB LEU A 56 4.491 -10.970 -5.365 1.00 0.00 C ATOM 863 CG LEU A 56 5.832 -11.613 -5.831 1.00 0.00 C ATOM 864 CD1 LEU A 56 5.578 -13.005 -6.363 1.00 0.00 C ATOM 865 CD2 LEU A 56 6.542 -10.790 -6.901 1.00 0.00 C ATOM 0 H LEU A 56 5.156 -8.751 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 56 3.556 -9.412 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.989 -11.685 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.860 -10.843 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 56 6.484 -11.649 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.520 -13.448 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.139 -13.620 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.892 -12.952 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.469 -11.287 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.897 -10.695 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.768 -9.799 -6.508 1.00 0.00 H new ATOM 877 N GLU A 57 6.738 -9.162 -3.733 1.00 0.00 N ATOM 878 CA GLU A 57 7.825 -9.227 -2.780 1.00 0.00 C ATOM 879 C GLU A 57 7.827 -7.991 -1.902 1.00 0.00 C ATOM 880 O GLU A 57 8.092 -8.068 -0.711 1.00 0.00 O ATOM 881 CB GLU A 57 9.135 -9.372 -3.535 1.00 0.00 C ATOM 882 CG GLU A 57 9.148 -10.596 -4.420 1.00 0.00 C ATOM 883 CD GLU A 57 10.315 -10.663 -5.351 1.00 0.00 C ATOM 884 OE1 GLU A 57 10.358 -9.877 -6.306 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.182 -11.537 -5.176 1.00 0.00 O ATOM 0 H GLU A 57 6.977 -8.689 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 57 7.698 -10.091 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.303 -8.483 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.959 -9.431 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.147 -11.486 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.228 -10.618 -5.005 1.00 0.00 H new ATOM 892 N MET A 58 7.485 -6.856 -2.496 1.00 0.00 N ATOM 893 CA MET A 58 7.400 -5.587 -1.777 1.00 0.00 C ATOM 894 C MET A 58 6.414 -5.683 -0.653 1.00 0.00 C ATOM 895 O MET A 58 6.737 -5.321 0.462 1.00 0.00 O ATOM 896 CB MET A 58 7.032 -4.431 -2.714 1.00 0.00 C ATOM 897 CG MET A 58 8.152 -4.029 -3.655 1.00 0.00 C ATOM 898 SD MET A 58 7.684 -2.717 -4.788 1.00 0.00 S ATOM 899 CE MET A 58 9.227 -2.474 -5.651 1.00 0.00 C ATOM 0 H MET A 58 7.259 -6.786 -3.488 1.00 0.00 H new ATOM 0 HA MET A 58 8.386 -5.377 -1.362 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.160 -4.715 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.745 -3.567 -2.115 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.012 -3.705 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.467 -4.901 -4.228 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.372 -1.411 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.049 -2.846 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.205 -3.016 -6.596 1.00 0.00 H new ATOM 909 N ALA A 59 5.235 -6.245 -0.933 1.00 0.00 N ATOM 910 CA ALA A 59 4.183 -6.411 0.079 1.00 0.00 C ATOM 911 C ALA A 59 4.700 -7.175 1.304 1.00 0.00 C ATOM 912 O ALA A 59 4.335 -6.881 2.447 1.00 0.00 O ATOM 913 CB ALA A 59 2.981 -7.123 -0.519 1.00 0.00 C ATOM 0 H ALA A 59 4.982 -6.595 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 59 3.878 -5.418 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.210 -7.238 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.586 -6.536 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.283 -8.106 -0.881 1.00 0.00 H new ATOM 919 N GLN A 60 5.597 -8.114 1.053 1.00 0.00 N ATOM 920 CA GLN A 60 6.191 -8.919 2.097 1.00 0.00 C ATOM 921 C GLN A 60 7.183 -8.066 2.867 1.00 0.00 C ATOM 922 O GLN A 60 7.274 -8.141 4.074 1.00 0.00 O ATOM 923 CB GLN A 60 6.917 -10.111 1.491 1.00 0.00 C ATOM 924 CG GLN A 60 6.101 -10.845 0.455 1.00 0.00 C ATOM 925 CD GLN A 60 6.849 -12.006 -0.180 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.082 -11.997 -0.288 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.126 -12.985 -0.635 1.00 0.00 N ATOM 0 H GLN A 60 5.932 -8.337 0.116 1.00 0.00 H new ATOM 0 HA GLN A 60 5.409 -9.283 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.846 -9.768 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.189 -10.804 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.188 -11.219 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.800 -10.145 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.112 -12.962 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.573 -13.777 -1.097 1.00 0.00 H new ATOM 936 N LEU A 61 7.899 -7.236 2.157 1.00 0.00 N ATOM 937 CA LEU A 61 8.869 -6.356 2.760 1.00 0.00 C ATOM 938 C LEU A 61 8.232 -5.284 3.631 1.00 0.00 C ATOM 939 O LEU A 61 8.735 -5.013 4.723 1.00 0.00 O ATOM 940 CB LEU A 61 9.878 -5.804 1.741 1.00 0.00 C ATOM 941 CG LEU A 61 11.147 -6.669 1.528 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.808 -8.077 1.073 1.00 0.00 C ATOM 943 CD2 LEU A 61 12.084 -6.022 0.538 1.00 0.00 C ATOM 0 H LEU A 61 7.828 -7.149 1.143 1.00 0.00 H new ATOM 0 HA LEU A 61 9.455 -6.968 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.373 -5.687 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.186 -4.809 2.063 1.00 0.00 H new ATOM 0 HG LEU A 61 11.644 -6.739 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.727 -8.647 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.188 -8.563 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.265 -8.033 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.965 -6.650 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.577 -5.905 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.387 -5.043 0.910 1.00 0.00 H new ATOM 955 N LEU A 62 7.105 -4.691 3.193 1.00 0.00 N ATOM 956 CA LEU A 62 6.407 -3.773 4.069 1.00 0.00 C ATOM 957 C LEU A 62 5.936 -4.513 5.333 1.00 0.00 C ATOM 958 O LEU A 62 6.059 -3.996 6.444 1.00 0.00 O ATOM 959 CB LEU A 62 5.194 -3.053 3.409 1.00 0.00 C ATOM 960 CG LEU A 62 5.428 -2.084 2.229 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.645 -1.214 2.392 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.386 -2.762 0.902 1.00 0.00 C ATOM 0 H LEU A 62 6.684 -4.832 2.275 1.00 0.00 H new ATOM 0 HA LEU A 62 7.127 -2.993 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.505 -3.825 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.681 -2.494 4.192 1.00 0.00 H new ATOM 0 HG LEU A 62 4.578 -1.403 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.744 -0.561 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.542 -0.609 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.532 -1.842 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.557 -2.029 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.161 -3.528 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.410 -3.225 0.761 1.00 0.00 H new ATOM 974 N ILE A 63 5.448 -5.748 5.162 1.00 0.00 N ATOM 975 CA ILE A 63 4.930 -6.538 6.292 1.00 0.00 C ATOM 976 C ILE A 63 6.083 -6.946 7.254 1.00 0.00 C ATOM 977 O ILE A 63 5.876 -7.101 8.447 1.00 0.00 O ATOM 978 CB ILE A 63 4.102 -7.796 5.773 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.816 -8.019 6.588 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.926 -9.088 5.745 1.00 0.00 C ATOM 981 CD1 ILE A 63 3.028 -8.421 8.034 1.00 0.00 C ATOM 0 H ILE A 63 5.400 -6.221 4.260 1.00 0.00 H new ATOM 0 HA ILE A 63 4.240 -5.917 6.864 1.00 0.00 H new ATOM 0 HB ILE A 63 3.830 -7.553 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.227 -7.102 6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.223 -8.790 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.305 -9.908 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.781 -8.960 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.278 -9.317 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.062 -8.554 8.520 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.585 -9.357 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.590 -7.642 8.550 1.00 0.00 H new ATOM 993 N THR A 64 7.289 -7.044 6.722 1.00 0.00 N ATOM 994 CA THR A 64 8.454 -7.442 7.503 1.00 0.00 C ATOM 995 C THR A 64 8.954 -6.280 8.402 1.00 0.00 C ATOM 996 O THR A 64 9.642 -6.496 9.413 1.00 0.00 O ATOM 997 CB THR A 64 9.592 -7.931 6.553 1.00 0.00 C ATOM 998 OG1 THR A 64 9.104 -9.018 5.746 1.00 0.00 O ATOM 999 CG2 THR A 64 10.816 -8.413 7.325 1.00 0.00 C ATOM 0 H THR A 64 7.491 -6.851 5.741 1.00 0.00 H new ATOM 0 HA THR A 64 8.162 -8.263 8.158 1.00 0.00 H new ATOM 0 HB THR A 64 9.889 -7.084 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.666 -8.660 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.582 -8.744 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.208 -7.597 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.534 -9.243 7.972 1.00 0.00 H new ATOM 1007 N HIS A 65 8.588 -5.068 8.060 1.00 0.00 N ATOM 1008 CA HIS A 65 9.063 -3.926 8.819 1.00 0.00 C ATOM 1009 C HIS A 65 7.944 -3.201 9.552 1.00 0.00 C ATOM 1010 O HIS A 65 8.002 -3.009 10.765 1.00 0.00 O ATOM 1011 CB HIS A 65 9.829 -2.936 7.932 1.00 0.00 C ATOM 1012 CG HIS A 65 11.116 -3.460 7.347 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.357 -4.091 6.165 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.338 -3.353 7.970 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.717 -4.368 6.061 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.260 -3.902 7.175 1.00 0.00 N flip ATOM 0 H HIS A 65 7.974 -4.844 7.277 1.00 0.00 H new ATOM 0 HA HIS A 65 9.744 -4.331 9.568 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.177 -2.626 7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.052 -2.045 8.519 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.652 -4.324 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.520 -2.903 8.935 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.223 -4.860 5.243 1.00 0.00 H new ATOM 1024 N PHE A 66 6.944 -2.789 8.813 1.00 0.00 N ATOM 1025 CA PHE A 66 5.852 -1.998 9.352 1.00 0.00 C ATOM 1026 C PHE A 66 4.902 -2.806 10.213 1.00 0.00 C ATOM 1027 O PHE A 66 4.578 -2.405 11.331 1.00 0.00 O ATOM 1028 CB PHE A 66 5.100 -1.318 8.218 1.00 0.00 C ATOM 1029 CG PHE A 66 5.976 -0.428 7.426 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.169 0.866 7.811 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.634 -0.898 6.308 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.000 1.683 7.102 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.466 -0.086 5.591 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.650 1.208 5.989 1.00 0.00 C ATOM 0 H PHE A 66 6.859 -2.990 7.817 1.00 0.00 H new ATOM 0 HA PHE A 66 6.292 -1.246 10.006 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.667 -2.076 7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.272 -0.740 8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.660 1.247 8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.489 -1.922 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.147 2.706 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.974 -0.464 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.306 1.857 5.429 1.00 0.00 H new ATOM 1044 N GLY A 67 4.458 -3.913 9.699 1.00 0.00 N ATOM 1045 CA GLY A 67 3.508 -4.723 10.409 1.00 0.00 C ATOM 1046 C GLY A 67 2.389 -5.118 9.493 1.00 0.00 C ATOM 1047 O GLY A 67 2.352 -4.643 8.381 1.00 0.00 O ATOM 0 H GLY A 67 4.737 -4.279 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.998 -5.613 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.113 -4.172 11.263 1.00 0.00 H new ATOM 1051 N PRO A 68 1.457 -5.968 9.928 1.00 0.00 N ATOM 1052 CA PRO A 68 0.370 -6.456 9.068 1.00 0.00 C ATOM 1053 C PRO A 68 -0.557 -5.347 8.551 1.00 0.00 C ATOM 1054 O PRO A 68 -0.721 -5.182 7.337 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.383 -7.457 9.948 1.00 0.00 C ATOM 1056 CG PRO A 68 0.026 -7.158 11.351 1.00 0.00 C ATOM 1057 CD PRO A 68 1.394 -6.539 11.285 1.00 0.00 C ATOM 0 HA PRO A 68 0.765 -6.901 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.461 -7.352 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.130 -8.482 9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.683 -6.478 11.823 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.043 -8.068 11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.523 -5.772 12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.177 -7.281 11.443 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.137 -4.586 9.457 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.031 -3.513 9.075 1.00 0.00 C ATOM 1067 C GLU A 69 -1.252 -2.332 8.558 1.00 0.00 C ATOM 1068 O GLU A 69 -1.622 -1.700 7.564 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.887 -3.060 10.245 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.941 -4.052 10.680 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.398 -5.297 11.337 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.632 -5.180 12.325 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -3.753 -6.418 10.918 1.00 0.00 O ATOM 0 H GLU A 69 -1.005 -4.691 10.463 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.680 -3.901 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.236 -2.848 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.377 -2.124 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.622 -3.558 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.529 -4.343 9.809 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.154 -2.065 9.229 1.00 0.00 N ATOM 1081 CA GLU A 70 0.698 -0.928 8.935 1.00 0.00 C ATOM 1082 C GLU A 70 1.237 -0.999 7.498 1.00 0.00 C ATOM 1083 O GLU A 70 1.272 0.003 6.801 1.00 0.00 O ATOM 1084 CB GLU A 70 1.856 -0.874 9.921 1.00 0.00 C ATOM 1085 CG GLU A 70 2.457 0.508 10.100 1.00 0.00 C ATOM 1086 CD GLU A 70 1.521 1.425 10.854 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.580 1.427 12.100 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.705 2.134 10.231 1.00 0.00 O ATOM 0 H GLU A 70 0.179 -2.637 10.005 1.00 0.00 H new ATOM 0 HA GLU A 70 0.100 -0.022 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.511 -1.236 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.637 -1.557 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.402 0.428 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.681 0.938 9.124 1.00 0.00 H new ATOM 1095 N ALA A 71 1.638 -2.197 7.063 1.00 0.00 N ATOM 1096 CA ALA A 71 2.158 -2.410 5.705 1.00 0.00 C ATOM 1097 C ALA A 71 1.123 -2.038 4.678 1.00 0.00 C ATOM 1098 O ALA A 71 1.413 -1.309 3.719 1.00 0.00 O ATOM 1099 CB ALA A 71 2.536 -3.855 5.510 1.00 0.00 C ATOM 0 H ALA A 71 1.613 -3.041 7.635 1.00 0.00 H new ATOM 0 HA ALA A 71 3.038 -1.779 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.919 -3.998 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.305 -4.131 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.658 -4.484 5.657 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.079 -2.531 4.895 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.194 -2.266 4.028 1.00 0.00 C ATOM 1107 C TRP A 72 -1.470 -0.764 3.966 1.00 0.00 C ATOM 1108 O TRP A 72 -1.579 -0.177 2.873 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.422 -3.071 4.504 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.712 -2.687 3.850 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -4.886 -2.414 4.477 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -3.951 -2.484 2.451 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.835 -2.074 3.558 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.288 -2.107 2.315 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.163 -2.585 1.311 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.856 -1.828 1.092 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.729 -2.306 0.091 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.067 -1.931 -0.006 1.00 0.00 C ATOM 0 H TRP A 72 -0.305 -3.132 5.688 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.961 -2.588 3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.239 -4.130 4.321 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.526 -2.947 5.582 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.044 -2.459 5.544 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.803 -1.833 3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.126 -2.877 1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.893 -1.537 1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.129 -2.378 -0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.486 -1.717 -0.978 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.514 -0.156 5.131 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.745 1.273 5.270 1.00 0.00 C ATOM 1131 C ARG A 73 -0.675 2.067 4.500 1.00 0.00 C ATOM 1132 O ARG A 73 -0.994 2.980 3.730 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.726 1.650 6.755 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.875 3.134 7.057 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.685 3.383 8.542 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.749 4.808 8.898 1.00 0.00 N ATOM 1137 CZ ARG A 73 -0.959 5.402 9.819 1.00 0.00 C ATOM 1138 NH1 ARG A 73 0.022 4.721 10.425 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -1.146 6.680 10.116 1.00 0.00 N ATOM 0 H ARG A 73 -1.390 -0.641 6.020 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.720 1.521 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.529 1.112 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.789 1.301 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.142 3.705 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.860 3.480 6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.451 2.841 9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.721 2.980 8.852 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.437 5.388 8.417 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.181 3.740 10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.610 5.183 11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.883 7.209 9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.553 7.134 10.810 1.00 0.00 H new ATOM 1153 N LEU A 74 0.577 1.683 4.701 1.00 0.00 N ATOM 1154 CA LEU A 74 1.720 2.304 4.042 1.00 0.00 C ATOM 1155 C LEU A 74 1.615 2.225 2.533 1.00 0.00 C ATOM 1156 O LEU A 74 1.809 3.227 1.853 1.00 0.00 O ATOM 1157 CB LEU A 74 3.043 1.681 4.531 1.00 0.00 C ATOM 1158 CG LEU A 74 3.816 2.433 5.638 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.440 3.705 5.089 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.921 2.763 6.828 1.00 0.00 C ATOM 0 H LEU A 74 0.832 0.924 5.333 1.00 0.00 H new ATOM 0 HA LEU A 74 1.714 3.360 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.828 0.676 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.704 1.575 3.671 1.00 0.00 H new ATOM 0 HG LEU A 74 4.608 1.769 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.979 4.219 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.132 3.453 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.657 4.357 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.501 3.291 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.095 3.394 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.526 1.840 7.253 1.00 0.00 H new ATOM 1172 N ALA A 75 1.282 1.058 2.013 1.00 0.00 N ATOM 1173 CA ALA A 75 1.163 0.885 0.574 1.00 0.00 C ATOM 1174 C ALA A 75 0.060 1.750 0.012 1.00 0.00 C ATOM 1175 O ALA A 75 0.306 2.575 -0.872 1.00 0.00 O ATOM 1176 CB ALA A 75 0.906 -0.553 0.215 1.00 0.00 C ATOM 0 H ALA A 75 1.090 0.219 2.561 1.00 0.00 H new ATOM 0 HA ALA A 75 2.113 1.191 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.822 -0.648 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.731 -1.170 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.022 -0.884 0.681 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.142 1.611 0.568 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.299 2.308 0.041 1.00 0.00 C ATOM 1184 C LEU A 76 -2.137 3.815 0.123 1.00 0.00 C ATOM 1185 O LEU A 76 -2.401 4.519 -0.842 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.627 1.807 0.684 1.00 0.00 C ATOM 1187 CG LEU A 76 -3.891 2.119 2.175 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.443 3.521 2.392 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -4.811 1.113 2.767 1.00 0.00 C ATOM 0 H LEU A 76 -1.333 1.023 1.379 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.366 2.065 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.452 2.225 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.667 0.725 0.560 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.926 2.069 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.610 3.686 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.729 4.255 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.386 3.628 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.984 1.351 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.760 1.128 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.365 0.121 2.688 1.00 0.00 H new ATOM 1201 N SER A 77 -1.614 4.300 1.237 1.00 0.00 N ATOM 1202 CA SER A 77 -1.510 5.713 1.445 1.00 0.00 C ATOM 1203 C SER A 77 -0.387 6.307 0.607 1.00 0.00 C ATOM 1204 O SER A 77 -0.327 7.498 0.418 1.00 0.00 O ATOM 1205 CB SER A 77 -1.354 6.051 2.938 1.00 0.00 C ATOM 1206 OG SER A 77 -1.511 7.459 3.170 1.00 0.00 O ATOM 0 H SER A 77 -1.259 3.728 2.003 1.00 0.00 H new ATOM 0 HA SER A 77 -2.441 6.171 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.094 5.499 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.372 5.730 3.286 1.00 0.00 H new ATOM 0 HG SER A 77 -2.259 7.797 2.635 1.00 0.00 H new ATOM 1212 N THR A 78 0.478 5.480 0.081 1.00 0.00 N ATOM 1213 CA THR A 78 1.507 5.973 -0.778 1.00 0.00 C ATOM 1214 C THR A 78 1.004 6.003 -2.229 1.00 0.00 C ATOM 1215 O THR A 78 1.469 6.807 -3.044 1.00 0.00 O ATOM 1216 CB THR A 78 2.797 5.157 -0.624 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.163 5.180 0.759 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.931 5.763 -1.428 1.00 0.00 C ATOM 0 H THR A 78 0.486 4.472 0.234 1.00 0.00 H new ATOM 0 HA THR A 78 1.754 6.995 -0.489 1.00 0.00 H new ATOM 0 HB THR A 78 2.623 4.143 -0.984 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.526 4.643 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.831 5.162 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.658 5.784 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.120 6.779 -1.082 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.015 5.186 -2.522 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.612 5.149 -3.853 1.00 0.00 C ATOM 1228 C PHE A 79 -1.201 6.515 -4.202 1.00 0.00 C ATOM 1229 O PHE A 79 -1.029 7.014 -5.297 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.703 4.060 -3.966 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.225 2.650 -3.817 1.00 0.00 C ATOM 1232 CD1 PHE A 79 0.059 2.284 -4.179 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.065 1.687 -3.290 1.00 0.00 C ATOM 1234 CE1 PHE A 79 0.489 0.992 -4.021 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -1.637 0.389 -3.127 1.00 0.00 C ATOM 1236 CZ PHE A 79 -0.358 0.040 -3.494 1.00 0.00 C ATOM 0 H PHE A 79 -0.440 4.544 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 79 0.179 4.900 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.461 4.250 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.191 4.159 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.730 3.024 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.070 1.957 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.493 0.719 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.303 -0.353 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.018 -0.977 -3.370 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.848 7.136 -3.243 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.438 8.456 -3.445 1.00 0.00 C ATOM 1248 C GLU A 80 -1.326 9.525 -3.609 1.00 0.00 C ATOM 1249 O GLU A 80 -1.473 10.479 -4.375 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.352 8.805 -2.262 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.594 8.882 -0.964 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.427 9.110 0.262 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.326 9.944 0.234 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.156 8.462 1.309 1.00 0.00 O ATOM 0 H GLU A 80 -1.984 6.753 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.035 8.442 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.842 9.760 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.138 8.055 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.036 7.955 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.862 9.686 -1.039 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.183 9.296 -2.948 1.00 0.00 N ATOM 1262 CA ARG A 81 0.931 10.250 -2.928 1.00 0.00 C ATOM 1263 C ARG A 81 1.633 10.284 -4.271 1.00 0.00 C ATOM 1264 O ARG A 81 2.124 11.332 -4.706 1.00 0.00 O ATOM 1265 CB ARG A 81 1.948 9.878 -1.844 1.00 0.00 C ATOM 1266 CG ARG A 81 1.355 9.732 -0.461 1.00 0.00 C ATOM 1267 CD ARG A 81 0.756 11.010 0.079 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.055 10.763 1.294 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.081 11.409 2.472 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.182 12.106 2.729 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.846 11.272 3.424 1.00 0.00 N ATOM 0 H ARG A 81 -0.006 8.445 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 81 0.516 11.234 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.431 8.941 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.726 10.641 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.585 8.961 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.130 9.387 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.553 11.716 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.133 11.472 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.777 10.045 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.928 12.155 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.281 12.593 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.659 10.678 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.740 11.761 4.313 1.00 0.00 H new ATOM 1285 N ILE A 82 1.660 9.142 -4.936 1.00 0.00 N ATOM 1286 CA ILE A 82 2.322 9.011 -6.235 1.00 0.00 C ATOM 1287 C ILE A 82 1.301 9.137 -7.360 1.00 0.00 C ATOM 1288 O ILE A 82 1.603 8.887 -8.533 1.00 0.00 O ATOM 1289 CB ILE A 82 3.078 7.659 -6.355 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.102 6.467 -6.280 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.119 7.566 -5.244 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.740 5.118 -6.531 1.00 0.00 C ATOM 0 H ILE A 82 1.229 8.281 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 82 3.054 9.815 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 82 3.574 7.618 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.636 6.457 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.305 6.619 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.653 6.619 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.826 8.390 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.623 7.623 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.982 4.338 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.181 5.104 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.517 4.939 -5.788 1.00 0.00 H new ATOM 1304 N ASN A 83 0.110 9.551 -6.964 1.00 0.00 N ATOM 1305 CA ASN A 83 -1.043 9.732 -7.829 1.00 0.00 C ATOM 1306 C ASN A 83 -1.452 8.447 -8.523 1.00 0.00 C ATOM 1307 O ASN A 83 -1.138 8.188 -9.683 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.910 10.916 -8.798 1.00 0.00 C ATOM 1309 CG ASN A 83 -2.186 11.170 -9.593 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.363 10.676 -10.713 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -3.103 11.900 -9.014 1.00 0.00 N ATOM 0 H ASN A 83 -0.088 9.780 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.865 10.002 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.652 11.813 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.088 10.725 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.990 12.074 -9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.931 12.296 -8.090 1.00 0.00 H new ATOM 1318 N ARG A 84 -2.048 7.611 -7.745 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.610 6.368 -8.171 1.00 0.00 C ATOM 1320 C ARG A 84 -3.827 6.185 -7.291 1.00 0.00 C ATOM 1321 O ARG A 84 -4.035 5.150 -6.640 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.602 5.258 -7.930 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.432 4.307 -9.088 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.719 3.607 -9.469 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.449 2.557 -10.485 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.260 2.190 -11.502 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -4.362 2.889 -11.788 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -2.915 1.148 -12.269 1.00 0.00 N ATOM 0 H ARG A 84 -2.164 7.780 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.868 6.350 -9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.635 5.706 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.909 4.690 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.054 4.856 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.680 3.560 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.174 3.160 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.432 4.331 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.560 2.062 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.601 3.712 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.964 2.599 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.049 0.642 -12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.518 0.860 -13.040 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.667 7.189 -7.355 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.788 7.380 -6.475 1.00 0.00 C ATOM 1344 C LYS A 85 -6.879 6.373 -6.777 1.00 0.00 C ATOM 1345 O LYS A 85 -7.746 6.112 -5.938 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.242 8.857 -6.592 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.561 9.247 -5.932 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.809 10.749 -6.101 1.00 0.00 C ATOM 1349 CE LYS A 85 -9.207 11.186 -5.654 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.531 10.760 -4.277 1.00 0.00 N ATOM 0 H LYS A 85 -4.582 7.927 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.514 7.198 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.457 9.484 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.311 9.104 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.380 8.683 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.536 8.991 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.063 11.300 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.669 11.018 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.281 12.272 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.947 10.774 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.086 11.502 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.084 9.880 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.651 10.597 -3.748 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.770 5.753 -7.959 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.704 4.725 -8.400 1.00 0.00 C ATOM 1366 C ASP A 86 -7.680 3.607 -7.391 1.00 0.00 C ATOM 1367 O ASP A 86 -8.683 3.238 -6.790 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.269 4.048 -9.715 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.718 4.939 -10.764 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -5.496 5.180 -10.730 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -7.462 5.339 -11.679 1.00 0.00 O ATOM 0 H ASP A 86 -6.030 5.954 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.670 5.215 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.519 3.293 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.129 3.523 -10.130 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.477 3.096 -7.194 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.252 1.949 -6.345 1.00 0.00 C ATOM 1378 C LEU A 87 -6.259 2.326 -4.902 1.00 0.00 C ATOM 1379 O LEU A 87 -6.586 1.502 -4.050 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.965 1.209 -6.710 1.00 0.00 C ATOM 1381 CG LEU A 87 -5.040 0.198 -7.871 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -5.481 0.817 -9.169 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -3.715 -0.454 -8.066 1.00 0.00 C ATOM 0 H LEU A 87 -5.629 3.469 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.082 1.264 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.206 1.952 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.616 0.680 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.794 -0.538 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.513 0.052 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.473 1.251 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.777 1.597 -9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.778 -1.167 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.967 0.304 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.429 -0.977 -7.154 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.921 3.568 -4.624 1.00 0.00 N ATOM 1396 CA TRP A 88 -5.970 4.059 -3.278 1.00 0.00 C ATOM 1397 C TRP A 88 -7.391 3.974 -2.734 1.00 0.00 C ATOM 1398 O TRP A 88 -7.606 3.415 -1.664 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.416 5.482 -3.162 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.680 6.059 -1.791 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.121 5.666 -0.617 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.606 7.101 -1.456 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.643 6.382 0.423 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.552 7.275 -0.065 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.472 7.895 -2.195 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.334 8.212 0.600 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.245 8.828 -1.535 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.172 8.979 -0.152 1.00 0.00 C ATOM 0 H TRP A 88 -5.611 4.249 -5.317 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.327 3.422 -2.671 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.344 5.475 -3.356 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.873 6.117 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.370 4.896 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.394 6.268 1.405 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.540 7.784 -3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.279 8.328 1.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.919 9.453 -2.101 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.792 9.718 0.333 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.363 4.471 -3.501 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.758 4.428 -3.077 1.00 0.00 C ATOM 1421 C GLU A 89 -10.315 3.024 -3.055 1.00 0.00 C ATOM 1422 O GLU A 89 -11.274 2.735 -2.345 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.630 5.351 -3.890 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.349 6.796 -3.599 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.290 7.716 -4.272 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.506 7.636 -4.008 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.844 8.541 -5.072 1.00 0.00 O ATOM 0 H GLU A 89 -8.209 4.904 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.770 4.791 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.471 5.158 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.678 5.137 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.397 6.960 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.332 7.033 -3.912 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.684 2.147 -3.807 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.051 0.741 -3.825 1.00 0.00 C ATOM 1436 C ARG A 90 -9.532 0.036 -2.570 1.00 0.00 C ATOM 1437 O ARG A 90 -9.859 -1.133 -2.298 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.497 0.058 -5.062 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.151 0.475 -6.367 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.557 -0.279 -7.543 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.680 -1.732 -7.368 1.00 0.00 N ATOM 1442 CZ ARG A 90 -9.090 -2.667 -8.131 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -8.402 -2.323 -9.219 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -9.205 -3.953 -7.805 1.00 0.00 N ATOM 0 H ARG A 90 -8.905 2.384 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.139 0.676 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.428 0.264 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.608 -1.020 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.224 0.288 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.021 1.547 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.061 0.022 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.506 -0.012 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.265 -2.060 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.319 -1.341 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.958 -3.042 -9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.739 -4.224 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.759 -4.667 -8.381 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.698 0.723 -1.842 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.170 0.208 -0.621 1.00 0.00 C ATOM 1460 C GLY A 91 -8.678 0.982 0.569 1.00 0.00 C ATOM 1461 O GLY A 91 -9.644 0.567 1.205 1.00 0.00 O ATOM 0 H GLY A 91 -8.367 1.657 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.445 -0.842 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.081 0.251 -0.647 1.00 0.00 H new