USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 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 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 17 THR OG1 : rot 87:sc= 0.505 USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0.802 (180deg=0.38) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 1.35 (180deg=0.896) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -95:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 0.479 (180deg=0.197) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 174:sc= -3.49 (180deg=-3.64!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -153:sc= -1.29 (180deg=-3.2) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 64 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 65 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.28) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 83 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.22) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 1.15 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.084 -7.964 5.741 1.00 0.00 N ATOM 155 CA GLY A 11 -2.434 -7.053 4.830 1.00 0.00 C ATOM 156 C GLY A 11 -1.324 -7.674 4.013 1.00 0.00 C ATOM 157 O GLY A 11 -0.198 -7.221 4.076 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.181 -6.641 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.026 -6.218 5.400 1.00 0.00 H new ATOM 161 N LEU A 12 -1.626 -8.722 3.271 1.00 0.00 N ATOM 162 CA LEU A 12 -0.641 -9.301 2.354 1.00 0.00 C ATOM 163 C LEU A 12 -1.288 -9.716 1.043 1.00 0.00 C ATOM 164 O LEU A 12 -0.911 -9.226 -0.012 1.00 0.00 O ATOM 165 CB LEU A 12 0.124 -10.479 2.971 1.00 0.00 C ATOM 166 CG LEU A 12 1.202 -11.116 2.075 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.319 -10.129 1.774 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.760 -12.383 2.700 1.00 0.00 C ATOM 0 H LEU A 12 -2.532 -9.191 3.278 1.00 0.00 H new ATOM 0 HA LEU A 12 0.088 -8.516 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.597 -10.139 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.595 -11.250 3.248 1.00 0.00 H new ATOM 0 HG LEU A 12 0.726 -11.387 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.066 -10.607 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.908 -9.260 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.785 -9.812 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.519 -12.809 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.207 -12.146 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.955 -13.104 2.840 1.00 0.00 H new ATOM 180 N CYS A 13 -2.282 -10.587 1.123 1.00 0.00 N ATOM 181 CA CYS A 13 -2.998 -11.096 -0.054 1.00 0.00 C ATOM 182 C CYS A 13 -3.637 -9.950 -0.866 1.00 0.00 C ATOM 183 O CYS A 13 -3.658 -9.971 -2.092 1.00 0.00 O ATOM 184 CB CYS A 13 -4.058 -12.115 0.402 1.00 0.00 C ATOM 185 SG CYS A 13 -5.038 -12.872 -0.916 1.00 0.00 S ATOM 0 H CYS A 13 -2.622 -10.967 2.006 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.286 -11.590 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.557 -12.908 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.737 -11.619 1.095 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.888 -13.708 -0.399 1.00 0.00 H new ATOM 191 N ARG A 14 -4.160 -8.966 -0.171 1.00 0.00 N ATOM 192 CA ARG A 14 -4.740 -7.786 -0.800 1.00 0.00 C ATOM 193 C ARG A 14 -3.624 -6.855 -1.276 1.00 0.00 C ATOM 194 O ARG A 14 -3.714 -6.230 -2.328 1.00 0.00 O ATOM 195 CB ARG A 14 -5.604 -7.049 0.223 1.00 0.00 C ATOM 196 CG ARG A 14 -6.355 -5.848 -0.315 1.00 0.00 C ATOM 197 CD ARG A 14 -7.008 -5.068 0.810 1.00 0.00 C ATOM 198 NE ARG A 14 -7.924 -5.895 1.607 1.00 0.00 N ATOM 199 CZ ARG A 14 -7.743 -6.197 2.909 1.00 0.00 C ATOM 200 NH1 ARG A 14 -6.725 -5.677 3.582 1.00 0.00 N ATOM 201 NH2 ARG A 14 -8.592 -6.993 3.542 1.00 0.00 N ATOM 0 H ARG A 14 -4.199 -8.955 0.848 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.347 -8.090 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.325 -7.752 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.967 -6.721 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.669 -5.200 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.115 -6.177 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.235 -4.657 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.556 -4.223 0.392 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.754 -6.266 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.074 -5.045 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.593 -5.909 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.392 -7.384 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.446 -7.215 4.527 1.00 0.00 H new ATOM 215 N LEU A 15 -2.558 -6.829 -0.506 1.00 0.00 N ATOM 216 CA LEU A 15 -1.449 -5.930 -0.712 1.00 0.00 C ATOM 217 C LEU A 15 -0.731 -6.250 -2.015 1.00 0.00 C ATOM 218 O LEU A 15 -0.419 -5.346 -2.795 1.00 0.00 O ATOM 219 CB LEU A 15 -0.501 -6.026 0.489 1.00 0.00 C ATOM 220 CG LEU A 15 0.727 -5.124 0.489 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.324 -3.677 0.409 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.540 -5.361 1.741 1.00 0.00 C ATOM 0 H LEU A 15 -2.438 -7.446 0.297 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.816 -4.907 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.076 -5.811 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.160 -7.058 0.567 1.00 0.00 H new ATOM 0 HG LEU A 15 1.332 -5.364 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.216 -3.050 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.238 -3.506 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.298 -3.425 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.416 -4.713 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.931 -5.139 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.860 -6.403 1.776 1.00 0.00 H new ATOM 234 N SER A 16 -0.522 -7.530 -2.265 1.00 0.00 N ATOM 235 CA SER A 16 0.133 -7.973 -3.467 1.00 0.00 C ATOM 236 C SER A 16 -0.679 -7.584 -4.707 1.00 0.00 C ATOM 237 O SER A 16 -0.139 -6.997 -5.644 1.00 0.00 O ATOM 238 CB SER A 16 0.367 -9.482 -3.385 1.00 0.00 C ATOM 239 OG SER A 16 -0.819 -10.150 -2.986 1.00 0.00 O ATOM 0 H SER A 16 -0.803 -8.284 -1.638 1.00 0.00 H new ATOM 0 HA SER A 16 1.100 -7.479 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.694 -9.858 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.166 -9.693 -2.675 1.00 0.00 H new ATOM 0 HG SER A 16 -0.652 -11.114 -2.940 1.00 0.00 H new ATOM 245 N THR A 17 -1.986 -7.844 -4.653 1.00 0.00 N ATOM 246 CA THR A 17 -2.901 -7.551 -5.739 1.00 0.00 C ATOM 247 C THR A 17 -2.833 -6.072 -6.162 1.00 0.00 C ATOM 248 O THR A 17 -2.728 -5.772 -7.357 1.00 0.00 O ATOM 249 CB THR A 17 -4.340 -7.927 -5.328 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.343 -9.295 -4.894 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.311 -7.776 -6.493 1.00 0.00 C ATOM 0 H THR A 17 -2.436 -8.268 -3.842 1.00 0.00 H new ATOM 0 HA THR A 17 -2.602 -8.149 -6.600 1.00 0.00 H new ATOM 0 HB THR A 17 -4.662 -7.258 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.125 -9.336 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.315 -8.049 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.310 -6.741 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.004 -8.429 -7.310 1.00 0.00 H new ATOM 259 N TYR A 18 -2.840 -5.177 -5.184 1.00 0.00 N ATOM 260 CA TYR A 18 -2.781 -3.747 -5.452 1.00 0.00 C ATOM 261 C TYR A 18 -1.425 -3.302 -5.976 1.00 0.00 C ATOM 262 O TYR A 18 -1.348 -2.487 -6.888 1.00 0.00 O ATOM 263 CB TYR A 18 -3.181 -2.930 -4.226 1.00 0.00 C ATOM 264 CG TYR A 18 -4.670 -2.859 -3.991 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.339 -3.813 -3.253 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.400 -1.818 -4.517 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.699 -3.728 -3.046 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.754 -1.719 -4.320 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.402 -2.678 -3.581 1.00 0.00 C ATOM 270 OH TYR A 18 -8.760 -2.585 -3.384 1.00 0.00 O ATOM 0 H TYR A 18 -2.886 -5.417 -4.194 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.507 -3.557 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.705 -3.361 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.793 -1.917 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.788 -4.640 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.895 -1.061 -5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.208 -4.483 -2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.306 -0.893 -4.743 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.995 -2.995 -2.526 1.00 0.00 H new ATOM 280 N LEU A 19 -0.366 -3.848 -5.428 1.00 0.00 N ATOM 281 CA LEU A 19 0.979 -3.464 -5.839 1.00 0.00 C ATOM 282 C LEU A 19 1.324 -3.958 -7.242 1.00 0.00 C ATOM 283 O LEU A 19 2.117 -3.337 -7.943 1.00 0.00 O ATOM 284 CB LEU A 19 2.016 -3.897 -4.800 1.00 0.00 C ATOM 285 CG LEU A 19 1.987 -3.117 -3.473 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.883 -3.779 -2.451 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.435 -1.677 -3.697 1.00 0.00 C ATOM 0 H LEU A 19 -0.401 -4.559 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 19 1.003 -2.376 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.868 -4.955 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.009 -3.797 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 19 0.964 -3.117 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.851 -3.215 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.539 -4.797 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.906 -3.803 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.410 -1.137 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.451 -1.669 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.765 -1.194 -4.408 1.00 0.00 H new ATOM 299 N GLU A 20 0.697 -5.051 -7.672 1.00 0.00 N ATOM 300 CA GLU A 20 0.912 -5.570 -9.030 1.00 0.00 C ATOM 301 C GLU A 20 0.330 -4.629 -10.071 1.00 0.00 C ATOM 302 O GLU A 20 0.723 -4.653 -11.240 1.00 0.00 O ATOM 303 CB GLU A 20 0.267 -6.923 -9.218 1.00 0.00 C ATOM 304 CG GLU A 20 0.812 -8.027 -8.362 1.00 0.00 C ATOM 305 CD GLU A 20 0.108 -9.310 -8.659 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.042 -9.473 -8.231 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.668 -10.147 -9.394 1.00 0.00 O ATOM 0 H GLU A 20 0.041 -5.593 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 20 1.991 -5.657 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.800 -6.827 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.372 -7.213 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.881 -8.141 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.691 -7.773 -7.309 1.00 0.00 H new ATOM 314 N GLU A 21 -0.594 -3.798 -9.642 1.00 0.00 N ATOM 315 CA GLU A 21 -1.271 -2.863 -10.522 1.00 0.00 C ATOM 316 C GLU A 21 -0.384 -1.642 -10.784 1.00 0.00 C ATOM 317 O GLU A 21 -0.779 -0.711 -11.485 1.00 0.00 O ATOM 318 CB GLU A 21 -2.594 -2.427 -9.890 1.00 0.00 C ATOM 319 CG GLU A 21 -3.563 -3.568 -9.603 1.00 0.00 C ATOM 320 CD GLU A 21 -4.101 -4.229 -10.846 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.442 -5.128 -11.417 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.219 -3.884 -11.264 1.00 0.00 O ATOM 0 H GLU A 21 -0.900 -3.749 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.474 -3.354 -11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.382 -1.904 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.081 -1.712 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.059 -4.317 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.397 -3.186 -9.015 1.00 0.00 H new ATOM 329 N LEU A 22 0.788 -1.636 -10.190 1.00 0.00 N ATOM 330 CA LEU A 22 1.752 -0.588 -10.394 1.00 0.00 C ATOM 331 C LEU A 22 2.888 -1.132 -11.228 1.00 0.00 C ATOM 332 O LEU A 22 3.318 -2.280 -11.029 1.00 0.00 O ATOM 333 CB LEU A 22 2.315 -0.089 -9.056 1.00 0.00 C ATOM 334 CG LEU A 22 1.332 0.537 -8.067 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.067 0.947 -6.807 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.640 1.743 -8.679 1.00 0.00 C ATOM 0 H LEU A 22 1.098 -2.365 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 22 1.262 0.245 -10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.801 -0.930 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.091 0.646 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 22 0.571 -0.204 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.363 1.393 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.527 0.070 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.840 1.674 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.054 2.170 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.385 2.490 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.092 1.435 -9.569 1.00 0.00 H new ATOM 348 N GLU A 23 3.347 -0.369 -12.185 1.00 0.00 N ATOM 349 CA GLU A 23 4.485 -0.795 -12.961 1.00 0.00 C ATOM 350 C GLU A 23 5.774 -0.446 -12.221 1.00 0.00 C ATOM 351 O GLU A 23 5.720 0.196 -11.167 1.00 0.00 O ATOM 352 CB GLU A 23 4.467 -0.221 -14.368 1.00 0.00 C ATOM 353 CG GLU A 23 4.635 1.265 -14.487 1.00 0.00 C ATOM 354 CD GLU A 23 4.816 1.661 -15.925 1.00 0.00 C ATOM 355 OE1 GLU A 23 3.810 1.869 -16.628 1.00 0.00 O ATOM 356 OE2 GLU A 23 5.971 1.714 -16.382 1.00 0.00 O ATOM 0 H GLU A 23 2.958 0.538 -12.444 1.00 0.00 H new ATOM 0 HA GLU A 23 4.433 -1.878 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.259 -0.701 -14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.522 -0.496 -14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.763 1.770 -14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.498 1.587 -13.904 1.00 0.00 H new ATOM 363 N ALA A 24 6.919 -0.817 -12.781 1.00 0.00 N ATOM 364 CA ALA A 24 8.208 -0.651 -12.107 1.00 0.00 C ATOM 365 C ALA A 24 8.504 0.794 -11.709 1.00 0.00 C ATOM 366 O ALA A 24 9.038 1.038 -10.625 1.00 0.00 O ATOM 367 CB ALA A 24 9.335 -1.222 -12.937 1.00 0.00 C ATOM 0 H ALA A 24 6.984 -1.238 -13.708 1.00 0.00 H new ATOM 0 HA ALA A 24 8.135 -1.215 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.280 -1.084 -12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.163 -2.286 -13.102 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.376 -0.708 -13.897 1.00 0.00 H new ATOM 373 N VAL A 25 8.154 1.743 -12.556 1.00 0.00 N ATOM 374 CA VAL A 25 8.373 3.149 -12.232 1.00 0.00 C ATOM 375 C VAL A 25 7.375 3.637 -11.173 1.00 0.00 C ATOM 376 O VAL A 25 7.703 4.466 -10.327 1.00 0.00 O ATOM 377 CB VAL A 25 8.337 4.074 -13.483 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.988 4.058 -14.161 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.699 5.483 -13.111 1.00 0.00 C ATOM 0 H VAL A 25 7.722 1.575 -13.464 1.00 0.00 H new ATOM 0 HA VAL A 25 9.381 3.212 -11.821 1.00 0.00 H new ATOM 0 HB VAL A 25 9.072 3.684 -14.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.009 4.717 -15.029 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.754 3.043 -14.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.225 4.402 -13.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.668 6.113 -14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.989 5.859 -12.374 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.704 5.501 -12.688 1.00 0.00 H new ATOM 389 N GLU A 26 6.188 3.088 -11.191 1.00 0.00 N ATOM 390 CA GLU A 26 5.174 3.478 -10.241 1.00 0.00 C ATOM 391 C GLU A 26 5.545 2.935 -8.875 1.00 0.00 C ATOM 392 O GLU A 26 5.419 3.626 -7.860 1.00 0.00 O ATOM 393 CB GLU A 26 3.818 2.989 -10.702 1.00 0.00 C ATOM 394 CG GLU A 26 3.428 3.525 -12.072 1.00 0.00 C ATOM 395 CD GLU A 26 3.295 5.028 -12.114 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.598 5.614 -11.275 1.00 0.00 O ATOM 397 OE2 GLU A 26 3.920 5.667 -12.971 1.00 0.00 O ATOM 0 H GLU A 26 5.898 2.368 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 26 5.115 4.564 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.821 1.899 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.064 3.286 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.176 3.214 -12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.482 3.076 -12.373 1.00 0.00 H new ATOM 404 N LEU A 27 6.061 1.715 -8.873 1.00 0.00 N ATOM 405 CA LEU A 27 6.597 1.103 -7.679 1.00 0.00 C ATOM 406 C LEU A 27 7.780 1.930 -7.184 1.00 0.00 C ATOM 407 O LEU A 27 7.871 2.253 -6.010 1.00 0.00 O ATOM 408 CB LEU A 27 7.048 -0.333 -7.964 1.00 0.00 C ATOM 409 CG LEU A 27 5.955 -1.340 -8.333 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.578 -2.655 -8.764 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.026 -1.575 -7.150 1.00 0.00 C ATOM 0 H LEU A 27 6.117 1.125 -9.703 1.00 0.00 H new ATOM 0 HA LEU A 27 5.821 1.072 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.773 -0.306 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.570 -0.706 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 27 5.376 -0.931 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.791 -3.363 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.217 -2.488 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.175 -3.060 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.255 -2.293 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.599 -1.967 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.558 -0.634 -6.863 1.00 0.00 H new ATOM 423 N LYS A 28 8.651 2.311 -8.127 1.00 0.00 N ATOM 424 CA LYS A 28 9.836 3.145 -7.870 1.00 0.00 C ATOM 425 C LYS A 28 9.464 4.404 -7.090 1.00 0.00 C ATOM 426 O LYS A 28 10.124 4.759 -6.109 1.00 0.00 O ATOM 427 CB LYS A 28 10.491 3.528 -9.211 1.00 0.00 C ATOM 428 CG LYS A 28 11.736 4.408 -9.132 1.00 0.00 C ATOM 429 CD LYS A 28 12.282 4.688 -10.529 1.00 0.00 C ATOM 430 CE LYS A 28 13.525 5.573 -10.509 1.00 0.00 C ATOM 431 NZ LYS A 28 13.252 6.942 -10.006 1.00 0.00 N ATOM 0 H LYS A 28 8.552 2.045 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 28 10.541 2.573 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.754 2.610 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.747 4.042 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.494 5.347 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.499 3.916 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.521 3.743 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.508 5.169 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.286 5.107 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.935 5.637 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.111 7.522 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.486 7.371 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.968 6.894 -9.007 1.00 0.00 H new ATOM 445 N LYS A 29 8.384 5.031 -7.489 1.00 0.00 N ATOM 446 CA LYS A 29 7.939 6.261 -6.864 1.00 0.00 C ATOM 447 C LYS A 29 7.358 6.031 -5.459 1.00 0.00 C ATOM 448 O LYS A 29 7.435 6.916 -4.599 1.00 0.00 O ATOM 449 CB LYS A 29 6.929 6.976 -7.748 1.00 0.00 C ATOM 450 CG LYS A 29 7.472 7.391 -9.116 1.00 0.00 C ATOM 451 CD LYS A 29 6.427 8.130 -9.936 1.00 0.00 C ATOM 452 CE LYS A 29 5.271 7.219 -10.300 1.00 0.00 C ATOM 453 NZ LYS A 29 4.231 7.896 -11.093 1.00 0.00 N ATOM 0 H LYS A 29 7.789 4.708 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 29 8.819 6.893 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.067 6.325 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.572 7.865 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.347 8.028 -8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.802 6.506 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.056 8.985 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.884 8.522 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.651 6.366 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.825 6.825 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.356 7.335 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.049 8.839 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.553 7.992 -12.077 1.00 0.00 H new ATOM 467 N PHE A 30 6.790 4.859 -5.217 1.00 0.00 N ATOM 468 CA PHE A 30 6.215 4.573 -3.910 1.00 0.00 C ATOM 469 C PHE A 30 7.313 4.147 -2.923 1.00 0.00 C ATOM 470 O PHE A 30 7.333 4.582 -1.766 1.00 0.00 O ATOM 471 CB PHE A 30 5.026 3.554 -4.015 1.00 0.00 C ATOM 472 CG PHE A 30 5.213 2.198 -3.363 1.00 0.00 C ATOM 473 CD1 PHE A 30 5.819 1.180 -4.050 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.760 1.947 -2.073 1.00 0.00 C ATOM 475 CE1 PHE A 30 5.986 -0.062 -3.483 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.920 0.707 -1.503 1.00 0.00 C ATOM 477 CZ PHE A 30 5.538 -0.301 -2.208 1.00 0.00 C ATOM 0 H PHE A 30 6.715 4.101 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 30 5.775 5.486 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.143 4.020 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.811 3.394 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.172 1.356 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.277 2.734 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.470 -0.850 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.561 0.523 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.670 -1.275 -1.760 1.00 0.00 H new ATOM 487 N LYS A 31 8.267 3.366 -3.412 1.00 0.00 N ATOM 488 CA LYS A 31 9.379 2.887 -2.587 1.00 0.00 C ATOM 489 C LYS A 31 10.344 4.005 -2.240 1.00 0.00 C ATOM 490 O LYS A 31 10.945 3.992 -1.174 1.00 0.00 O ATOM 491 CB LYS A 31 10.098 1.677 -3.236 1.00 0.00 C ATOM 492 CG LYS A 31 10.590 1.922 -4.655 1.00 0.00 C ATOM 493 CD LYS A 31 11.173 0.668 -5.300 1.00 0.00 C ATOM 494 CE LYS A 31 12.610 0.400 -4.892 1.00 0.00 C ATOM 495 NZ LYS A 31 13.542 1.384 -5.486 1.00 0.00 N ATOM 0 H LYS A 31 8.297 3.047 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 31 8.954 2.534 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.948 1.399 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.416 0.826 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.763 2.288 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.348 2.705 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.559 -0.191 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.122 0.768 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.691 0.432 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.895 -0.605 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.507 0.997 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.257 1.584 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.518 2.264 -4.932 1.00 0.00 H new ATOM 509 N LEU A 32 10.477 4.996 -3.108 1.00 0.00 N ATOM 510 CA LEU A 32 11.339 6.109 -2.785 1.00 0.00 C ATOM 511 C LEU A 32 10.653 7.012 -1.787 1.00 0.00 C ATOM 512 O LEU A 32 11.302 7.702 -1.033 1.00 0.00 O ATOM 513 CB LEU A 32 11.816 6.885 -4.046 1.00 0.00 C ATOM 514 CG LEU A 32 10.770 7.638 -4.904 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.371 8.977 -4.296 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.285 7.831 -6.307 1.00 0.00 C ATOM 0 H LEU A 32 10.012 5.049 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 32 12.246 5.712 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.561 7.612 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.325 6.174 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 32 9.873 7.020 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.636 9.463 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.940 8.814 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.252 9.613 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.539 8.362 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.207 8.412 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.482 6.859 -6.759 1.00 0.00 H new ATOM 528 N TYR A 33 9.338 6.966 -1.769 1.00 0.00 N ATOM 529 CA TYR A 33 8.573 7.796 -0.888 1.00 0.00 C ATOM 530 C TYR A 33 8.708 7.296 0.543 1.00 0.00 C ATOM 531 O TYR A 33 9.392 7.908 1.352 1.00 0.00 O ATOM 532 CB TYR A 33 7.102 7.833 -1.325 1.00 0.00 C ATOM 533 CG TYR A 33 6.233 8.767 -0.510 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.187 10.114 -0.806 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.457 8.298 0.550 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.397 10.971 -0.081 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.664 9.152 1.283 1.00 0.00 C ATOM 538 CZ TYR A 33 4.638 10.490 0.963 1.00 0.00 C ATOM 539 OH TYR A 33 3.841 11.356 1.680 1.00 0.00 O ATOM 0 H TYR A 33 8.780 6.354 -2.364 1.00 0.00 H new ATOM 0 HA TYR A 33 8.959 8.814 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.054 8.132 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.691 6.825 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.782 10.500 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.479 7.248 0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.371 12.022 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.068 8.775 2.101 1.00 0.00 H new ATOM 0 HH TYR A 33 3.369 10.861 2.382 1.00 0.00 H new ATOM 549 N LEU A 34 8.133 6.142 0.813 1.00 0.00 N ATOM 550 CA LEU A 34 8.105 5.586 2.162 1.00 0.00 C ATOM 551 C LEU A 34 9.432 4.985 2.587 1.00 0.00 C ATOM 552 O LEU A 34 9.664 4.752 3.765 1.00 0.00 O ATOM 553 CB LEU A 34 6.942 4.579 2.304 1.00 0.00 C ATOM 554 CG LEU A 34 6.818 3.438 1.259 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.896 2.365 1.412 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.447 2.821 1.339 1.00 0.00 C ATOM 0 H LEU A 34 7.673 5.561 0.112 1.00 0.00 H new ATOM 0 HA LEU A 34 7.930 6.415 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.020 4.119 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.010 5.145 2.289 1.00 0.00 H new ATOM 0 HG LEU A 34 6.967 3.886 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.754 1.596 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.880 2.818 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.823 1.915 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.365 2.021 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.289 2.414 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.693 3.581 1.134 1.00 0.00 H new ATOM 568 N GLY A 35 10.295 4.741 1.636 1.00 0.00 N ATOM 569 CA GLY A 35 11.538 4.122 1.961 1.00 0.00 C ATOM 570 C GLY A 35 12.608 5.113 2.359 1.00 0.00 C ATOM 571 O GLY A 35 13.374 4.859 3.269 1.00 0.00 O ATOM 0 H GLY A 35 10.158 4.959 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.383 3.416 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.886 3.546 1.103 1.00 0.00 H new ATOM 575 N THR A 36 12.667 6.251 1.691 1.00 0.00 N ATOM 576 CA THR A 36 13.718 7.220 2.028 1.00 0.00 C ATOM 577 C THR A 36 13.262 8.131 3.166 1.00 0.00 C ATOM 578 O THR A 36 14.087 8.756 3.851 1.00 0.00 O ATOM 579 CB THR A 36 14.139 8.102 0.814 1.00 0.00 C ATOM 580 OG1 THR A 36 13.052 8.954 0.412 1.00 0.00 O ATOM 581 CG2 THR A 36 14.564 7.235 -0.370 1.00 0.00 C ATOM 0 H THR A 36 12.033 6.529 0.941 1.00 0.00 H new ATOM 0 HA THR A 36 14.585 6.635 2.335 1.00 0.00 H new ATOM 0 HB THR A 36 14.985 8.714 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.551 8.525 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.853 7.874 -1.204 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.410 6.613 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.732 6.599 -0.672 1.00 0.00 H new ATOM 589 N ALA A 37 11.950 8.168 3.368 1.00 0.00 N ATOM 590 CA ALA A 37 11.309 9.050 4.323 1.00 0.00 C ATOM 591 C ALA A 37 11.758 8.812 5.754 1.00 0.00 C ATOM 592 O ALA A 37 11.827 7.675 6.232 1.00 0.00 O ATOM 593 CB ALA A 37 9.807 8.921 4.229 1.00 0.00 C ATOM 0 H ALA A 37 11.294 7.573 2.861 1.00 0.00 H new ATOM 0 HA ALA A 37 11.614 10.063 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.339 9.589 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.481 9.188 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.516 7.893 4.444 1.00 0.00 H new ATOM 599 N THR A 38 12.022 9.888 6.438 1.00 0.00 N ATOM 600 CA THR A 38 12.448 9.841 7.804 1.00 0.00 C ATOM 601 C THR A 38 11.260 9.881 8.763 1.00 0.00 C ATOM 602 O THR A 38 11.421 9.712 9.963 1.00 0.00 O ATOM 603 CB THR A 38 13.415 10.990 8.098 1.00 0.00 C ATOM 604 OG1 THR A 38 12.968 12.180 7.410 1.00 0.00 O ATOM 605 CG2 THR A 38 14.827 10.638 7.673 1.00 0.00 C ATOM 0 H THR A 38 11.946 10.831 6.058 1.00 0.00 H new ATOM 0 HA THR A 38 12.966 8.895 7.961 1.00 0.00 H new ATOM 0 HB THR A 38 13.426 11.171 9.173 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.585 12.918 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.492 11.473 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.161 9.754 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.844 10.434 6.602 1.00 0.00 H new ATOM 613 N GLU A 39 10.052 10.050 8.216 1.00 0.00 N ATOM 614 CA GLU A 39 8.828 10.118 9.030 1.00 0.00 C ATOM 615 C GLU A 39 8.457 8.752 9.625 1.00 0.00 C ATOM 616 O GLU A 39 7.519 8.632 10.398 1.00 0.00 O ATOM 617 CB GLU A 39 7.661 10.688 8.224 1.00 0.00 C ATOM 618 CG GLU A 39 7.271 9.875 7.001 1.00 0.00 C ATOM 619 CD GLU A 39 6.083 10.462 6.290 1.00 0.00 C ATOM 620 OE1 GLU A 39 4.945 10.169 6.684 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.262 11.266 5.349 1.00 0.00 O ATOM 0 H GLU A 39 9.893 10.143 7.213 1.00 0.00 H new ATOM 0 HA GLU A 39 9.036 10.793 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.793 10.772 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.918 11.698 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.116 9.825 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.044 8.852 7.303 1.00 0.00 H new ATOM 628 N LEU A 40 9.194 7.731 9.240 1.00 0.00 N ATOM 629 CA LEU A 40 9.001 6.395 9.780 1.00 0.00 C ATOM 630 C LEU A 40 9.880 6.211 11.001 1.00 0.00 C ATOM 631 O LEU A 40 9.866 5.172 11.665 1.00 0.00 O ATOM 632 CB LEU A 40 9.368 5.328 8.754 1.00 0.00 C ATOM 633 CG LEU A 40 8.503 5.212 7.482 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.018 5.145 7.790 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.805 6.302 6.477 1.00 0.00 C ATOM 0 H LEU A 40 9.940 7.799 8.548 1.00 0.00 H new ATOM 0 HA LEU A 40 7.949 6.287 10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.397 5.506 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.351 4.362 9.258 1.00 0.00 H new ATOM 0 HG LEU A 40 8.778 4.262 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.457 5.064 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.815 4.274 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.715 6.049 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.170 6.175 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.612 7.276 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.852 6.242 6.178 1.00 0.00 H new ATOM 647 N GLY A 41 10.673 7.206 11.243 1.00 0.00 N ATOM 648 CA GLY A 41 11.595 7.214 12.333 1.00 0.00 C ATOM 649 C GLY A 41 12.965 7.538 11.824 1.00 0.00 C ATOM 650 O GLY A 41 13.597 8.515 12.242 1.00 0.00 O ATOM 0 H GLY A 41 10.698 8.054 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.289 7.949 13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.599 6.242 12.827 1.00 0.00 H new ATOM 654 N GLU A 42 13.411 6.732 10.898 1.00 0.00 N ATOM 655 CA GLU A 42 14.711 6.882 10.260 1.00 0.00 C ATOM 656 C GLU A 42 14.552 6.455 8.816 1.00 0.00 C ATOM 657 O GLU A 42 14.903 7.165 7.877 1.00 0.00 O ATOM 658 CB GLU A 42 15.726 5.927 10.910 1.00 0.00 C ATOM 659 CG GLU A 42 15.858 6.034 12.411 1.00 0.00 C ATOM 660 CD GLU A 42 16.736 4.957 12.969 1.00 0.00 C ATOM 661 OE1 GLU A 42 16.371 3.776 12.866 1.00 0.00 O ATOM 662 OE2 GLU A 42 17.815 5.269 13.524 1.00 0.00 O ATOM 0 H GLU A 42 12.878 5.934 10.552 1.00 0.00 H new ATOM 0 HA GLU A 42 15.057 7.911 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.446 4.904 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.704 6.107 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.269 7.009 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.871 5.972 12.868 1.00 0.00 H new ATOM 669 N GLY A 43 13.983 5.290 8.687 1.00 0.00 N ATOM 670 CA GLY A 43 13.780 4.622 7.452 1.00 0.00 C ATOM 671 C GLY A 43 13.585 3.186 7.806 1.00 0.00 C ATOM 672 O GLY A 43 14.499 2.550 8.341 1.00 0.00 O ATOM 0 H GLY A 43 13.634 4.762 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.910 5.019 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.636 4.751 6.790 1.00 0.00 H new ATOM 676 N LYS A 44 12.407 2.676 7.574 1.00 0.00 N ATOM 677 CA LYS A 44 12.030 1.393 8.050 1.00 0.00 C ATOM 678 C LYS A 44 12.495 0.262 7.115 1.00 0.00 C ATOM 679 O LYS A 44 12.286 -0.915 7.404 1.00 0.00 O ATOM 680 CB LYS A 44 10.523 1.398 8.176 1.00 0.00 C ATOM 681 CG LYS A 44 9.967 0.381 9.128 1.00 0.00 C ATOM 682 CD LYS A 44 10.351 0.674 10.593 1.00 0.00 C ATOM 683 CE LYS A 44 9.802 2.024 11.048 1.00 0.00 C ATOM 684 NZ LYS A 44 10.148 2.355 12.447 1.00 0.00 N ATOM 0 H LYS A 44 11.680 3.153 7.041 1.00 0.00 H new ATOM 0 HA LYS A 44 12.509 1.200 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.203 2.389 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.090 1.227 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.881 0.359 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.330 -0.609 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.964 -0.115 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.436 0.666 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.187 2.805 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.717 2.022 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.139 3.387 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.453 1.923 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.096 1.988 12.666 1.00 0.00 H new ATOM 698 N ILE A 45 13.130 0.610 6.036 1.00 0.00 N ATOM 699 CA ILE A 45 13.576 -0.365 5.074 1.00 0.00 C ATOM 700 C ILE A 45 15.094 -0.531 5.177 1.00 0.00 C ATOM 701 O ILE A 45 15.827 0.448 5.335 1.00 0.00 O ATOM 702 CB ILE A 45 13.180 0.047 3.620 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.649 0.194 3.490 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.719 -0.942 2.589 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.864 -1.073 3.793 1.00 0.00 C ATOM 0 H ILE A 45 13.355 1.575 5.794 1.00 0.00 H new ATOM 0 HA ILE A 45 13.087 -1.313 5.297 1.00 0.00 H new ATOM 0 HB ILE A 45 13.637 1.015 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.314 0.983 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.413 0.519 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.424 -0.623 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.807 -0.977 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.312 -1.933 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.798 -0.877 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.165 -1.861 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.065 -1.390 4.816 1.00 0.00 H new ATOM 717 N PRO A 46 15.583 -1.766 5.166 1.00 0.00 N ATOM 718 CA PRO A 46 16.999 -2.025 5.190 1.00 0.00 C ATOM 719 C PRO A 46 17.678 -1.674 3.865 1.00 0.00 C ATOM 720 O PRO A 46 17.419 -2.311 2.851 1.00 0.00 O ATOM 721 CB PRO A 46 17.103 -3.529 5.469 1.00 0.00 C ATOM 722 CG PRO A 46 15.810 -4.097 5.013 1.00 0.00 C ATOM 723 CD PRO A 46 14.789 -3.009 5.166 1.00 0.00 C ATOM 0 HA PRO A 46 17.503 -1.414 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.940 -3.973 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.267 -3.723 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.875 -4.425 3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.539 -4.970 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.068 -3.021 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.224 -3.121 6.091 1.00 0.00 H new ATOM 731 N TRP A 47 18.459 -0.593 3.913 1.00 0.00 N ATOM 732 CA TRP A 47 19.377 -0.092 2.901 1.00 0.00 C ATOM 733 C TRP A 47 18.899 -0.108 1.451 1.00 0.00 C ATOM 734 O TRP A 47 18.616 0.945 0.876 1.00 0.00 O ATOM 735 CB TRP A 47 20.737 -0.748 3.065 1.00 0.00 C ATOM 736 CG TRP A 47 21.369 -0.438 4.390 1.00 0.00 C ATOM 737 CD1 TRP A 47 22.196 0.602 4.669 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.209 -1.161 5.617 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.554 0.581 5.988 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.963 -0.494 6.592 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.499 -2.304 5.984 1.00 0.00 C ATOM 742 CZ2 TRP A 47 22.026 -0.930 7.907 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.564 -2.732 7.291 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.323 -2.044 8.237 1.00 0.00 C ATOM 0 H TRP A 47 18.461 0.005 4.739 1.00 0.00 H new ATOM 0 HA TRP A 47 19.443 0.978 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.631 -1.828 2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.397 -0.414 2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 47 22.524 1.340 3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 47 23.163 1.258 6.447 1.00 0.00 H new ATOM 0 HE3 TRP A 47 19.910 -2.843 5.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.614 -0.402 8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.018 -3.615 7.588 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.352 -2.405 9.254 1.00 0.00 H new ATOM 755 N GLY A 48 18.831 -1.259 0.877 1.00 0.00 N ATOM 756 CA GLY A 48 18.470 -1.376 -0.512 1.00 0.00 C ATOM 757 C GLY A 48 17.740 -2.658 -0.801 1.00 0.00 C ATOM 758 O GLY A 48 17.759 -3.152 -1.925 1.00 0.00 O ATOM 0 H GLY A 48 19.021 -2.146 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.843 -0.531 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.370 -1.326 -1.125 1.00 0.00 H new ATOM 762 N SER A 49 17.075 -3.196 0.200 1.00 0.00 N ATOM 763 CA SER A 49 16.374 -4.460 0.067 1.00 0.00 C ATOM 764 C SER A 49 15.196 -4.370 -0.948 1.00 0.00 C ATOM 765 O SER A 49 14.851 -5.363 -1.605 1.00 0.00 O ATOM 766 CB SER A 49 15.908 -4.939 1.456 1.00 0.00 C ATOM 767 OG SER A 49 15.393 -6.263 1.437 1.00 0.00 O ATOM 0 H SER A 49 17.004 -2.773 1.126 1.00 0.00 H new ATOM 0 HA SER A 49 17.063 -5.199 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.745 -4.890 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.141 -4.261 1.831 1.00 0.00 H new ATOM 0 HG SER A 49 15.114 -6.518 2.341 1.00 0.00 H new ATOM 773 N MET A 50 14.626 -3.168 -1.130 1.00 0.00 N ATOM 774 CA MET A 50 13.488 -2.998 -2.055 1.00 0.00 C ATOM 775 C MET A 50 13.938 -2.866 -3.495 1.00 0.00 C ATOM 776 O MET A 50 13.110 -2.868 -4.401 1.00 0.00 O ATOM 777 CB MET A 50 12.614 -1.780 -1.718 1.00 0.00 C ATOM 778 CG MET A 50 11.849 -1.852 -0.413 1.00 0.00 C ATOM 779 SD MET A 50 10.763 -0.425 -0.171 1.00 0.00 S ATOM 780 CE MET A 50 11.933 0.940 -0.194 1.00 0.00 C ATOM 0 H MET A 50 14.925 -2.313 -0.660 1.00 0.00 H new ATOM 0 HA MET A 50 12.896 -3.905 -1.931 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.251 -0.896 -1.694 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.899 -1.636 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.254 -2.765 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.554 -1.913 0.416 1.00 0.00 H new ATOM 0 HE1 MET A 50 11.390 1.885 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 50 12.591 0.870 0.672 1.00 0.00 H new ATOM 0 HE3 MET A 50 12.528 0.894 -1.106 1.00 0.00 H new ATOM 790 N GLU A 51 15.230 -2.745 -3.708 1.00 0.00 N ATOM 791 CA GLU A 51 15.774 -2.550 -5.048 1.00 0.00 C ATOM 792 C GLU A 51 15.492 -3.713 -5.980 1.00 0.00 C ATOM 793 O GLU A 51 15.059 -3.521 -7.111 1.00 0.00 O ATOM 794 CB GLU A 51 17.259 -2.282 -4.987 1.00 0.00 C ATOM 795 CG GLU A 51 17.605 -0.930 -4.404 1.00 0.00 C ATOM 796 CD GLU A 51 17.020 0.194 -5.219 1.00 0.00 C ATOM 797 OE1 GLU A 51 17.582 0.523 -6.291 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.986 0.745 -4.827 1.00 0.00 O ATOM 0 H GLU A 51 15.933 -2.778 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 51 15.263 -1.681 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.736 -3.059 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.674 -2.352 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.234 -0.869 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.688 -0.820 -4.357 1.00 0.00 H new ATOM 805 N LYS A 52 15.710 -4.905 -5.507 1.00 0.00 N ATOM 806 CA LYS A 52 15.533 -6.079 -6.342 1.00 0.00 C ATOM 807 C LYS A 52 14.208 -6.754 -6.043 1.00 0.00 C ATOM 808 O LYS A 52 13.988 -7.911 -6.382 1.00 0.00 O ATOM 809 CB LYS A 52 16.699 -7.044 -6.138 1.00 0.00 C ATOM 810 CG LYS A 52 18.071 -6.418 -6.404 1.00 0.00 C ATOM 811 CD LYS A 52 18.197 -5.833 -7.817 1.00 0.00 C ATOM 812 CE LYS A 52 18.062 -6.892 -8.904 1.00 0.00 C ATOM 813 NZ LYS A 52 18.241 -6.321 -10.254 1.00 0.00 N ATOM 0 H LYS A 52 16.010 -5.100 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 52 15.519 -5.770 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.673 -7.420 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.568 -7.903 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.253 -5.631 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.844 -7.173 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.431 -5.071 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.163 -5.337 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.801 -7.676 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.080 -7.360 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.142 -7.073 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.520 -5.590 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.188 -5.897 -10.329 1.00 0.00 H new ATOM 827 N ALA A 53 13.317 -6.007 -5.463 1.00 0.00 N ATOM 828 CA ALA A 53 12.038 -6.514 -5.089 1.00 0.00 C ATOM 829 C ALA A 53 10.995 -6.092 -6.111 1.00 0.00 C ATOM 830 O ALA A 53 11.032 -4.967 -6.611 1.00 0.00 O ATOM 831 CB ALA A 53 11.674 -5.998 -3.704 1.00 0.00 C ATOM 0 H ALA A 53 13.461 -5.023 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 53 12.070 -7.603 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.696 -6.385 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.422 -6.330 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.643 -4.909 -3.718 1.00 0.00 H new ATOM 837 N GLY A 54 10.138 -7.006 -6.482 1.00 0.00 N ATOM 838 CA GLY A 54 9.038 -6.688 -7.345 1.00 0.00 C ATOM 839 C GLY A 54 7.796 -6.435 -6.523 1.00 0.00 C ATOM 840 O GLY A 54 7.883 -6.433 -5.299 1.00 0.00 O ATOM 0 H GLY A 54 10.184 -7.984 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.275 -5.807 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.863 -7.507 -8.042 1.00 0.00 H new ATOM 844 N PRO A 55 6.625 -6.278 -7.149 1.00 0.00 N ATOM 845 CA PRO A 55 5.373 -5.941 -6.443 1.00 0.00 C ATOM 846 C PRO A 55 5.007 -6.953 -5.345 1.00 0.00 C ATOM 847 O PRO A 55 4.560 -6.573 -4.256 1.00 0.00 O ATOM 848 CB PRO A 55 4.309 -5.933 -7.550 1.00 0.00 C ATOM 849 CG PRO A 55 4.934 -6.622 -8.717 1.00 0.00 C ATOM 850 CD PRO A 55 6.416 -6.412 -8.597 1.00 0.00 C ATOM 0 HA PRO A 55 5.463 -4.989 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.405 -6.450 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.019 -4.914 -7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.692 -7.685 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.559 -6.212 -9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.975 -7.253 -9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.740 -5.521 -9.134 1.00 0.00 H new ATOM 858 N LEU A 56 5.252 -8.228 -5.616 1.00 0.00 N ATOM 859 CA LEU A 56 4.919 -9.287 -4.666 1.00 0.00 C ATOM 860 C LEU A 56 5.881 -9.241 -3.502 1.00 0.00 C ATOM 861 O LEU A 56 5.489 -9.359 -2.349 1.00 0.00 O ATOM 862 CB LEU A 56 4.978 -10.661 -5.349 1.00 0.00 C ATOM 863 CG LEU A 56 4.057 -10.859 -6.564 1.00 0.00 C ATOM 864 CD1 LEU A 56 4.271 -12.232 -7.179 1.00 0.00 C ATOM 865 CD2 LEU A 56 2.596 -10.681 -6.170 1.00 0.00 C ATOM 0 H LEU A 56 5.679 -8.556 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 56 3.904 -9.130 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.005 -10.842 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.734 -11.422 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 56 4.309 -10.101 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.610 -12.353 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.307 -12.328 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.049 -13.001 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.963 -10.826 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.333 -11.414 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.445 -9.676 -5.775 1.00 0.00 H new ATOM 877 N GLU A 57 7.131 -9.000 -3.820 1.00 0.00 N ATOM 878 CA GLU A 57 8.183 -8.939 -2.837 1.00 0.00 C ATOM 879 C GLU A 57 8.029 -7.703 -1.966 1.00 0.00 C ATOM 880 O GLU A 57 8.215 -7.769 -0.770 1.00 0.00 O ATOM 881 CB GLU A 57 9.525 -8.939 -3.523 1.00 0.00 C ATOM 882 CG GLU A 57 9.760 -10.159 -4.376 1.00 0.00 C ATOM 883 CD GLU A 57 11.055 -10.086 -5.109 1.00 0.00 C ATOM 884 OE1 GLU A 57 12.079 -10.528 -4.573 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.073 -9.595 -6.240 1.00 0.00 O ATOM 0 H GLU A 57 7.447 -8.840 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 57 8.116 -9.817 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.607 -8.048 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.310 -8.875 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.749 -11.049 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.944 -10.264 -5.091 1.00 0.00 H new ATOM 892 N MET A 58 7.654 -6.586 -2.581 1.00 0.00 N ATOM 893 CA MET A 58 7.419 -5.333 -1.854 1.00 0.00 C ATOM 894 C MET A 58 6.344 -5.525 -0.822 1.00 0.00 C ATOM 895 O MET A 58 6.491 -5.088 0.305 1.00 0.00 O ATOM 896 CB MET A 58 7.065 -4.187 -2.807 1.00 0.00 C ATOM 897 CG MET A 58 8.222 -3.790 -3.704 1.00 0.00 C ATOM 898 SD MET A 58 7.819 -2.503 -4.884 1.00 0.00 S ATOM 899 CE MET A 58 9.358 -2.415 -5.784 1.00 0.00 C ATOM 0 H MET A 58 7.504 -6.518 -3.588 1.00 0.00 H new ATOM 0 HA MET A 58 8.344 -5.058 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.217 -4.483 -3.425 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.749 -3.321 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.051 -3.452 -3.082 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.567 -4.671 -4.246 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.480 -1.415 -6.200 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.187 -2.631 -5.110 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.349 -3.145 -6.593 1.00 0.00 H new ATOM 909 N ALA A 59 5.296 -6.243 -1.197 1.00 0.00 N ATOM 910 CA ALA A 59 4.214 -6.567 -0.281 1.00 0.00 C ATOM 911 C ALA A 59 4.765 -7.302 0.942 1.00 0.00 C ATOM 912 O ALA A 59 4.430 -6.991 2.089 1.00 0.00 O ATOM 913 CB ALA A 59 3.171 -7.425 -0.990 1.00 0.00 C ATOM 0 H ALA A 59 5.172 -6.615 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 59 3.740 -5.643 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.364 -7.663 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.768 -6.878 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.635 -8.348 -1.338 1.00 0.00 H new ATOM 919 N GLN A 60 5.664 -8.226 0.685 1.00 0.00 N ATOM 920 CA GLN A 60 6.260 -9.021 1.732 1.00 0.00 C ATOM 921 C GLN A 60 7.237 -8.181 2.573 1.00 0.00 C ATOM 922 O GLN A 60 7.338 -8.360 3.783 1.00 0.00 O ATOM 923 CB GLN A 60 6.939 -10.250 1.141 1.00 0.00 C ATOM 924 CG GLN A 60 6.019 -11.049 0.236 1.00 0.00 C ATOM 925 CD GLN A 60 6.619 -12.355 -0.225 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.284 -12.432 -1.265 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.395 -13.389 0.534 1.00 0.00 N ATOM 0 H GLN A 60 6.001 -8.446 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 60 5.471 -9.364 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.817 -9.938 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.291 -10.890 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.088 -11.252 0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.766 -10.446 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.842 -13.287 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.773 -14.301 0.278 1.00 0.00 H new ATOM 936 N LEU A 61 7.932 -7.259 1.939 1.00 0.00 N ATOM 937 CA LEU A 61 8.828 -6.352 2.652 1.00 0.00 C ATOM 938 C LEU A 61 8.057 -5.413 3.570 1.00 0.00 C ATOM 939 O LEU A 61 8.376 -5.308 4.763 1.00 0.00 O ATOM 940 CB LEU A 61 9.760 -5.574 1.701 1.00 0.00 C ATOM 941 CG LEU A 61 11.119 -6.229 1.376 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.967 -7.568 0.691 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.964 -5.303 0.536 1.00 0.00 C ATOM 0 H LEU A 61 7.898 -7.113 0.930 1.00 0.00 H new ATOM 0 HA LEU A 61 9.469 -6.974 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.229 -5.408 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.950 -4.593 2.137 1.00 0.00 H new ATOM 0 HG LEU A 61 11.620 -6.410 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.953 -7.985 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.414 -8.248 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.425 -7.438 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.919 -5.781 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.445 -5.083 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.139 -4.376 1.081 1.00 0.00 H new ATOM 955 N LEU A 62 7.017 -4.765 3.040 1.00 0.00 N ATOM 956 CA LEU A 62 6.179 -3.887 3.841 1.00 0.00 C ATOM 957 C LEU A 62 5.599 -4.644 5.036 1.00 0.00 C ATOM 958 O LEU A 62 5.651 -4.159 6.170 1.00 0.00 O ATOM 959 CB LEU A 62 5.019 -3.280 3.025 1.00 0.00 C ATOM 960 CG LEU A 62 5.266 -2.067 2.084 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.485 -2.231 1.227 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.046 -1.891 1.207 1.00 0.00 C ATOM 0 H LEU A 62 6.740 -4.835 2.061 1.00 0.00 H new ATOM 0 HA LEU A 62 6.819 -3.074 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.601 -4.081 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.246 -2.984 3.735 1.00 0.00 H new ATOM 0 HG LEU A 62 5.439 -1.188 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.604 -1.353 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.364 -2.342 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.374 -3.118 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.198 -1.044 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.888 -2.795 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.172 -1.707 1.832 1.00 0.00 H new ATOM 974 N ILE A 63 5.067 -5.839 4.776 1.00 0.00 N ATOM 975 CA ILE A 63 4.436 -6.653 5.814 1.00 0.00 C ATOM 976 C ILE A 63 5.463 -7.054 6.908 1.00 0.00 C ATOM 977 O ILE A 63 5.135 -7.098 8.088 1.00 0.00 O ATOM 978 CB ILE A 63 3.694 -7.906 5.173 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.417 -8.282 5.939 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.595 -9.130 5.035 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.622 -8.838 7.335 1.00 0.00 C ATOM 0 H ILE A 63 5.061 -6.266 3.850 1.00 0.00 H new ATOM 0 HA ILE A 63 3.672 -6.056 6.312 1.00 0.00 H new ATOM 0 HB ILE A 63 3.415 -7.585 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.785 -7.397 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.868 -9.019 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.030 -9.950 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.444 -8.887 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.956 -9.429 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.654 -9.068 7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.222 -9.747 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.138 -8.099 7.949 1.00 0.00 H new ATOM 993 N THR A 64 6.700 -7.261 6.509 1.00 0.00 N ATOM 994 CA THR A 64 7.747 -7.672 7.422 1.00 0.00 C ATOM 995 C THR A 64 8.225 -6.518 8.324 1.00 0.00 C ATOM 996 O THR A 64 8.457 -6.710 9.523 1.00 0.00 O ATOM 997 CB THR A 64 8.932 -8.298 6.633 1.00 0.00 C ATOM 998 OG1 THR A 64 8.453 -9.451 5.914 1.00 0.00 O ATOM 999 CG2 THR A 64 10.071 -8.725 7.552 1.00 0.00 C ATOM 0 H THR A 64 7.009 -7.149 5.543 1.00 0.00 H new ATOM 0 HA THR A 64 7.327 -8.429 8.085 1.00 0.00 H new ATOM 0 HB THR A 64 9.320 -7.541 5.951 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.230 -9.194 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.876 -9.156 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.446 -7.857 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.707 -9.467 8.262 1.00 0.00 H new ATOM 1007 N HIS A 65 8.341 -5.330 7.772 1.00 0.00 N ATOM 1008 CA HIS A 65 8.866 -4.212 8.547 1.00 0.00 C ATOM 1009 C HIS A 65 7.768 -3.404 9.215 1.00 0.00 C ATOM 1010 O HIS A 65 7.791 -3.182 10.431 1.00 0.00 O ATOM 1011 CB HIS A 65 9.766 -3.316 7.696 1.00 0.00 C ATOM 1012 CG HIS A 65 10.941 -4.042 7.132 1.00 0.00 C ATOM 1013 ND1 HIS A 65 12.057 -4.385 7.861 1.00 0.00 N ATOM 1014 CD2 HIS A 65 11.135 -4.540 5.894 1.00 0.00 C ATOM 1015 CE1 HIS A 65 12.869 -5.070 7.065 1.00 0.00 C ATOM 1016 NE2 HIS A 65 12.358 -5.195 5.853 1.00 0.00 N ATOM 0 H HIS A 65 8.086 -5.109 6.809 1.00 0.00 H new ATOM 0 HA HIS A 65 9.473 -4.644 9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.181 -2.892 6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.118 -2.482 8.303 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.448 -4.444 5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.824 -5.473 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 65 12.775 -5.673 5.054 1.00 0.00 H new ATOM 1024 N PHE A 66 6.820 -2.962 8.438 1.00 0.00 N ATOM 1025 CA PHE A 66 5.726 -2.169 8.951 1.00 0.00 C ATOM 1026 C PHE A 66 4.778 -3.023 9.776 1.00 0.00 C ATOM 1027 O PHE A 66 4.524 -2.732 10.945 1.00 0.00 O ATOM 1028 CB PHE A 66 5.005 -1.471 7.799 1.00 0.00 C ATOM 1029 CG PHE A 66 5.913 -0.569 7.048 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.205 0.684 7.525 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.499 -0.993 5.882 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.073 1.505 6.840 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.367 -0.193 5.195 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.656 1.059 5.672 1.00 0.00 C ATOM 0 H PHE A 66 6.779 -3.137 7.434 1.00 0.00 H new ATOM 0 HA PHE A 66 6.124 -1.402 9.615 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.593 -2.219 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.164 -0.898 8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.752 1.028 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.270 -1.977 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.296 2.493 7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.823 -0.545 4.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.341 1.697 5.133 1.00 0.00 H new ATOM 1044 N GLY A 67 4.294 -4.075 9.190 1.00 0.00 N ATOM 1045 CA GLY A 67 3.385 -4.956 9.880 1.00 0.00 C ATOM 1046 C GLY A 67 2.214 -5.276 9.009 1.00 0.00 C ATOM 1047 O GLY A 67 2.056 -4.647 7.981 1.00 0.00 O ATOM 0 H GLY A 67 4.511 -4.350 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.900 -5.875 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.043 -4.487 10.803 1.00 0.00 H new ATOM 1051 N PRO A 68 1.349 -6.211 9.409 1.00 0.00 N ATOM 1052 CA PRO A 68 0.222 -6.666 8.583 1.00 0.00 C ATOM 1053 C PRO A 68 -0.724 -5.547 8.150 1.00 0.00 C ATOM 1054 O PRO A 68 -1.036 -5.413 6.977 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.506 -7.700 9.460 1.00 0.00 C ATOM 1056 CG PRO A 68 0.017 -7.489 10.846 1.00 0.00 C ATOM 1057 CD PRO A 68 1.398 -6.910 10.704 1.00 0.00 C ATOM 0 HA PRO A 68 0.583 -7.077 7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.586 -7.556 9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.308 -8.715 9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.630 -6.813 11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.047 -8.430 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.632 -6.226 11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.162 -7.688 10.711 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.146 -4.738 9.076 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.080 -3.680 8.754 1.00 0.00 C ATOM 1067 C GLU A 69 -1.345 -2.396 8.441 1.00 0.00 C ATOM 1068 O GLU A 69 -1.909 -1.455 7.868 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.055 -3.456 9.891 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.878 -4.676 10.243 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.921 -4.354 11.260 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.952 -3.774 10.879 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.733 -4.649 12.456 1.00 0.00 O ATOM 0 H GLU A 69 -0.866 -4.783 10.056 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.641 -3.986 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.501 -3.137 10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.728 -2.641 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.353 -5.068 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.224 -5.460 10.626 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.096 -2.346 8.821 1.00 0.00 N ATOM 1081 CA GLU A 70 0.699 -1.170 8.608 1.00 0.00 C ATOM 1082 C GLU A 70 1.168 -1.132 7.157 1.00 0.00 C ATOM 1083 O GLU A 70 1.134 -0.096 6.519 1.00 0.00 O ATOM 1084 CB GLU A 70 1.871 -1.164 9.570 1.00 0.00 C ATOM 1085 CG GLU A 70 2.403 0.217 9.866 1.00 0.00 C ATOM 1086 CD GLU A 70 1.369 1.062 10.574 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.225 0.924 11.805 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.657 1.849 9.916 1.00 0.00 O ATOM 0 H GLU A 70 0.394 -3.112 9.283 1.00 0.00 H new ATOM 0 HA GLU A 70 0.104 -0.277 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.566 -1.635 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.674 -1.772 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.298 0.140 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.698 0.703 8.936 1.00 0.00 H new ATOM 1095 N ALA A 71 1.548 -2.296 6.644 1.00 0.00 N ATOM 1096 CA ALA A 71 1.992 -2.476 5.258 1.00 0.00 C ATOM 1097 C ALA A 71 0.934 -2.010 4.300 1.00 0.00 C ATOM 1098 O ALA A 71 1.212 -1.248 3.371 1.00 0.00 O ATOM 1099 CB ALA A 71 2.241 -3.939 5.010 1.00 0.00 C ATOM 0 H ALA A 71 1.558 -3.160 7.186 1.00 0.00 H new ATOM 0 HA ALA A 71 2.901 -1.894 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.572 -4.083 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.012 -4.298 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.320 -4.498 5.176 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.286 -2.458 4.542 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.395 -2.100 3.709 1.00 0.00 C ATOM 1107 C TRP A 72 -1.639 -0.596 3.741 1.00 0.00 C ATOM 1108 O TRP A 72 -1.829 0.034 2.690 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.656 -2.917 4.071 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.889 -2.485 3.329 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.115 -2.235 3.864 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.000 -2.197 1.923 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.975 -1.826 2.879 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.308 -1.790 1.689 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.112 -2.245 0.844 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.755 -1.429 0.437 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.561 -1.889 -0.405 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -4.874 -1.482 -0.597 1.00 0.00 C ATOM 0 H TRP A 72 -0.523 -3.075 5.319 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.147 -2.356 2.679 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.468 -3.970 3.863 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.839 -2.831 5.142 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.371 -2.343 4.908 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.957 -1.587 3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.088 -2.557 0.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.776 -1.113 0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.885 -1.926 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.202 -1.202 -1.587 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.574 -0.020 4.925 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.758 1.403 5.075 1.00 0.00 C ATOM 1131 C ARG A 73 -0.664 2.157 4.306 1.00 0.00 C ATOM 1132 O ARG A 73 -0.955 3.077 3.551 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.751 1.806 6.551 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.860 3.307 6.774 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.678 3.676 8.230 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.784 3.235 9.096 1.00 0.00 N ATOM 1137 CZ ARG A 73 -2.693 3.152 10.432 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -1.498 3.029 11.019 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -3.788 3.072 11.162 1.00 0.00 N ATOM 0 H ARG A 73 -1.395 -0.519 5.796 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.730 1.670 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.579 1.311 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.832 1.444 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.108 3.819 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.834 3.655 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.748 3.239 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.574 4.758 8.311 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.668 2.979 8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.651 2.998 10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.433 2.966 12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.703 3.073 10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.720 3.009 12.178 1.00 0.00 H new ATOM 1153 N LEU A 74 0.576 1.718 4.486 1.00 0.00 N ATOM 1154 CA LEU A 74 1.732 2.299 3.812 1.00 0.00 C ATOM 1155 C LEU A 74 1.563 2.306 2.309 1.00 0.00 C ATOM 1156 O LEU A 74 1.803 3.315 1.673 1.00 0.00 O ATOM 1157 CB LEU A 74 3.032 1.567 4.203 1.00 0.00 C ATOM 1158 CG LEU A 74 3.878 2.176 5.343 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.520 3.485 4.914 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.057 2.389 6.598 1.00 0.00 C ATOM 0 H LEU A 74 0.810 0.944 5.108 1.00 0.00 H new ATOM 0 HA LEU A 74 1.805 3.335 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.772 0.547 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.661 1.501 3.315 1.00 0.00 H new ATOM 0 HG LEU A 74 4.666 1.458 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.109 3.889 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.169 3.308 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.743 4.198 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.687 2.819 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.233 3.069 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.659 1.433 6.939 1.00 0.00 H new ATOM 1172 N ALA A 75 1.117 1.205 1.750 1.00 0.00 N ATOM 1173 CA ALA A 75 0.940 1.129 0.318 1.00 0.00 C ATOM 1174 C ALA A 75 -0.214 2.000 -0.152 1.00 0.00 C ATOM 1175 O ALA A 75 -0.023 2.843 -1.029 1.00 0.00 O ATOM 1176 CB ALA A 75 0.760 -0.296 -0.149 1.00 0.00 C ATOM 0 H ALA A 75 0.872 0.356 2.260 1.00 0.00 H new ATOM 0 HA ALA A 75 1.855 1.514 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.630 -0.311 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.640 -0.881 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.120 -0.727 0.328 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.395 1.856 0.470 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.582 2.592 0.014 1.00 0.00 C ATOM 1184 C LEU A 76 -2.368 4.102 0.128 1.00 0.00 C ATOM 1185 O LEU A 76 -2.599 4.846 -0.822 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.901 2.098 0.721 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.142 2.476 2.204 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.779 3.845 2.339 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -4.982 1.444 2.912 1.00 0.00 C ATOM 0 H LEU A 76 -1.551 1.249 1.274 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.723 2.372 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.745 2.474 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.926 1.011 0.650 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.162 2.507 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.932 4.073 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.125 4.596 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.740 3.852 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.129 1.744 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.950 1.361 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.475 0.479 2.882 1.00 0.00 H new ATOM 1201 N SER A 77 -1.811 4.523 1.246 1.00 0.00 N ATOM 1202 CA SER A 77 -1.572 5.919 1.522 1.00 0.00 C ATOM 1203 C SER A 77 -0.359 6.479 0.747 1.00 0.00 C ATOM 1204 O SER A 77 -0.038 7.672 0.844 1.00 0.00 O ATOM 1205 CB SER A 77 -1.442 6.112 3.030 1.00 0.00 C ATOM 1206 OG SER A 77 -2.695 5.936 3.679 1.00 0.00 O ATOM 0 H SER A 77 -1.510 3.897 1.993 1.00 0.00 H new ATOM 0 HA SER A 77 -2.424 6.497 1.165 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.719 5.401 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.057 7.110 3.240 1.00 0.00 H new ATOM 0 HG SER A 77 -2.584 6.063 4.644 1.00 0.00 H new ATOM 1212 N THR A 78 0.309 5.627 -0.008 1.00 0.00 N ATOM 1213 CA THR A 78 1.368 6.068 -0.869 1.00 0.00 C ATOM 1214 C THR A 78 0.893 6.048 -2.337 1.00 0.00 C ATOM 1215 O THR A 78 1.418 6.787 -3.184 1.00 0.00 O ATOM 1216 CB THR A 78 2.671 5.258 -0.658 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.062 5.388 0.712 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.802 5.799 -1.518 1.00 0.00 C ATOM 0 H THR A 78 0.129 4.623 -0.036 1.00 0.00 H new ATOM 0 HA THR A 78 1.618 7.096 -0.607 1.00 0.00 H new ATOM 0 HB THR A 78 2.483 4.220 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.456 4.864 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.703 5.210 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.521 5.737 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.994 6.839 -1.255 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.157 5.259 -2.620 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.752 5.220 -3.959 1.00 0.00 C ATOM 1228 C PHE A 79 -1.237 6.623 -4.334 1.00 0.00 C ATOM 1229 O PHE A 79 -1.022 7.102 -5.447 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.951 4.246 -4.040 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.649 2.787 -3.854 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.436 2.246 -4.240 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.593 1.954 -3.280 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.177 0.905 -4.058 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.339 0.611 -3.097 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.127 0.087 -3.486 1.00 0.00 C ATOM 0 H PHE A 79 -0.606 4.644 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 79 0.016 4.869 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.681 4.541 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.428 4.373 -5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.315 2.880 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.544 2.362 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.773 0.494 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.088 -0.027 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.921 -0.964 -3.343 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.831 7.297 -3.359 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.349 8.654 -3.531 1.00 0.00 C ATOM 1248 C GLU A 80 -1.205 9.670 -3.753 1.00 0.00 C ATOM 1249 O GLU A 80 -1.411 10.735 -4.325 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.177 9.071 -2.300 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.364 9.098 -1.010 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.120 9.609 0.200 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.811 10.637 0.091 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -2.997 9.017 1.286 1.00 0.00 O ATOM 0 H GLU A 80 -1.969 6.920 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.986 8.654 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.603 10.059 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.012 8.381 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.006 8.090 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.484 9.723 -1.163 1.00 0.00 H new ATOM 1261 N ARG A 81 0.001 9.311 -3.325 1.00 0.00 N ATOM 1262 CA ARG A 81 1.148 10.220 -3.383 1.00 0.00 C ATOM 1263 C ARG A 81 1.765 10.178 -4.750 1.00 0.00 C ATOM 1264 O ARG A 81 2.354 11.153 -5.213 1.00 0.00 O ATOM 1265 CB ARG A 81 2.193 9.823 -2.350 1.00 0.00 C ATOM 1266 CG ARG A 81 1.617 9.642 -0.977 1.00 0.00 C ATOM 1267 CD ARG A 81 1.002 10.902 -0.432 1.00 0.00 C ATOM 1268 NE ARG A 81 0.163 10.604 0.727 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.385 11.509 1.534 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -0.070 12.800 1.413 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.272 11.124 2.435 1.00 0.00 N ATOM 0 H ARG A 81 0.213 8.394 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 81 0.799 11.230 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.672 8.895 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.970 10.586 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.861 8.857 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.402 9.304 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.787 11.604 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.405 11.386 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.017 9.622 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.594 13.098 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.494 13.489 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.531 10.140 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.697 11.811 3.058 1.00 0.00 H new ATOM 1285 N ILE A 82 1.623 9.043 -5.391 1.00 0.00 N ATOM 1286 CA ILE A 82 2.154 8.832 -6.722 1.00 0.00 C ATOM 1287 C ILE A 82 1.058 9.052 -7.773 1.00 0.00 C ATOM 1288 O ILE A 82 1.185 8.658 -8.935 1.00 0.00 O ATOM 1289 CB ILE A 82 2.815 7.425 -6.857 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.813 6.286 -6.586 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.968 7.333 -5.866 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.333 4.906 -6.923 1.00 0.00 C ATOM 0 H ILE A 82 1.135 8.235 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 82 2.941 9.565 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 82 3.170 7.310 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.532 6.308 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.906 6.471 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.441 6.354 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.700 8.110 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.589 7.469 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.566 4.164 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.587 4.861 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.222 4.697 -6.328 1.00 0.00 H new ATOM 1304 N ASN A 83 -0.025 9.687 -7.309 1.00 0.00 N ATOM 1305 CA ASN A 83 -1.194 10.125 -8.116 1.00 0.00 C ATOM 1306 C ASN A 83 -2.099 8.978 -8.561 1.00 0.00 C ATOM 1307 O ASN A 83 -3.146 9.171 -9.172 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.798 11.109 -9.265 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.993 11.681 -10.043 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.599 12.685 -9.633 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -2.299 11.104 -11.170 1.00 0.00 N ATOM 0 H ASN A 83 -0.125 9.924 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.820 10.708 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.226 11.934 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.140 10.590 -9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.056 11.475 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.782 10.281 -11.478 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.773 7.805 -8.150 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.571 6.674 -8.482 1.00 0.00 C ATOM 1320 C ARG A 84 -3.573 6.506 -7.336 1.00 0.00 C ATOM 1321 O ARG A 84 -3.566 5.528 -6.578 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.676 5.470 -8.659 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.188 4.431 -9.648 1.00 0.00 C ATOM 1324 CD ARG A 84 -3.441 3.724 -9.174 1.00 0.00 C ATOM 1325 NE ARG A 84 -4.022 2.812 -10.204 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.431 1.712 -10.766 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -2.150 1.425 -10.551 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -4.135 0.931 -11.564 1.00 0.00 N ATOM 0 H ARG A 84 -0.953 7.600 -7.579 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.112 6.796 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.694 5.810 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.539 4.991 -7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.391 4.916 -10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.407 3.692 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.210 3.150 -8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.187 4.468 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.965 3.033 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.585 2.030 -9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.733 0.599 -10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.112 1.149 -11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.702 0.110 -11.986 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.436 7.486 -7.257 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.376 7.693 -6.181 1.00 0.00 C ATOM 1344 C LYS A 85 -6.508 6.705 -6.299 1.00 0.00 C ATOM 1345 O LYS A 85 -7.207 6.422 -5.344 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.870 9.143 -6.288 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.849 9.599 -5.227 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.219 11.071 -5.404 1.00 0.00 C ATOM 1349 CE LYS A 85 -7.970 11.339 -6.712 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.294 10.690 -6.749 1.00 0.00 N ATOM 0 H LYS A 85 -4.507 8.201 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.916 7.534 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.003 9.803 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.338 9.274 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.750 8.988 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.413 9.448 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.836 11.390 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.312 11.675 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.093 12.414 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.371 10.983 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.794 10.971 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.175 9.657 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.848 10.984 -5.919 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.622 6.159 -7.481 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.617 5.177 -7.847 1.00 0.00 C ATOM 1366 C ASP A 86 -7.569 3.999 -6.897 1.00 0.00 C ATOM 1367 O ASP A 86 -8.577 3.611 -6.315 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.332 4.670 -9.255 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.188 5.777 -10.257 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -6.192 6.533 -10.172 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -8.050 5.921 -11.145 1.00 0.00 O ATOM 0 H ASP A 86 -5.997 6.395 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.601 5.645 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.418 4.076 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.139 4.007 -9.567 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.362 3.467 -6.692 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.199 2.301 -5.822 1.00 0.00 C ATOM 1378 C LEU A 87 -6.368 2.691 -4.372 1.00 0.00 C ATOM 1379 O LEU A 87 -6.836 1.904 -3.555 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.847 1.624 -6.021 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.586 0.969 -7.372 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -3.217 0.317 -7.376 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.665 -0.054 -7.719 1.00 0.00 C ATOM 0 H LEU A 87 -5.499 3.817 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.975 1.587 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.069 2.368 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.734 0.862 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.615 1.747 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.039 -0.149 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.454 1.073 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.173 -0.442 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.445 -0.500 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.686 -0.834 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.636 0.440 -7.759 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.014 3.915 -4.077 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.141 4.462 -2.750 1.00 0.00 C ATOM 1397 C TRP A 88 -7.614 4.538 -2.358 1.00 0.00 C ATOM 1398 O TRP A 88 -7.995 4.092 -1.287 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.484 5.836 -2.701 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.723 6.578 -1.419 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.182 6.314 -0.208 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.571 7.707 -1.236 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.640 7.208 0.723 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.491 8.076 0.113 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.386 8.440 -2.083 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.194 9.148 0.627 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.084 9.505 -1.574 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -7.987 9.853 -0.230 1.00 0.00 C ATOM 0 H TRP A 88 -5.625 4.567 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.636 3.814 -2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.410 5.720 -2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.856 6.436 -3.532 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.488 5.512 -0.004 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.385 7.221 1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.470 8.177 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.119 9.418 1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.720 10.084 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.550 10.697 0.141 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.434 5.056 -3.267 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.882 5.165 -3.073 1.00 0.00 C ATOM 1421 C GLU A 89 -10.526 3.805 -2.853 1.00 0.00 C ATOM 1422 O GLU A 89 -11.558 3.701 -2.206 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.539 5.858 -4.262 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.159 7.314 -4.412 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.749 7.948 -5.641 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.974 8.265 -5.658 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.006 8.169 -6.615 1.00 0.00 O ATOM 0 H GLU A 89 -8.114 5.415 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.039 5.765 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.268 5.327 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.622 5.784 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.490 7.864 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.073 7.399 -4.451 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.915 2.772 -3.398 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.419 1.416 -3.229 1.00 0.00 C ATOM 1436 C ARG A 90 -10.071 0.933 -1.815 1.00 0.00 C ATOM 1437 O ARG A 90 -10.898 0.342 -1.101 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.745 0.449 -4.220 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.781 0.803 -5.715 1.00 0.00 C ATOM 1440 CD ARG A 90 -11.179 0.839 -6.311 1.00 0.00 C ATOM 1441 NE ARG A 90 -11.949 2.029 -5.919 1.00 0.00 N ATOM 1442 CZ ARG A 90 -13.289 2.103 -5.909 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -14.018 1.054 -6.272 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -13.897 3.242 -5.577 1.00 0.00 N ATOM 0 H ARG A 90 -9.068 2.842 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.495 1.429 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.700 0.346 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.208 -0.530 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.311 1.776 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.182 0.076 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.104 0.805 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.721 -0.054 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.427 2.858 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.560 0.189 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.036 1.113 -6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.343 4.062 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.916 3.293 -5.571 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.855 1.256 -1.404 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.300 0.748 -0.172 1.00 0.00 C ATOM 1460 C GLY A 91 -8.620 1.554 1.067 1.00 0.00 C ATOM 1461 O GLY A 91 -8.103 1.248 2.144 1.00 0.00 O ATOM 0 H GLY A 91 -8.230 1.877 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.659 -0.270 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.217 0.692 -0.278 1.00 0.00 H new