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 USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 18 TYR OH : rot 149:sc= 0.0948 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc=-0.00353 (180deg=-0.0928) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= 1.68 (180deg=1.07) USER MOD Single : A 33 TYR OH : rot -96:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot -48:sc= 1.35 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0783) USER MOD Single : A 49 SER OG : rot 84:sc= 0.0991 USER MOD Single : A 50 MET CE :methyl 178:sc= -1.08 (180deg=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 174:sc= -2.15! (180deg=-2.41!) USER MOD Single : A 60 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.5!) USER MOD Single : A 64 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 65 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-0.24) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 83 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 146:sc= 1.92 (180deg=0.695) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.718 -7.814 5.092 1.00 0.00 N ATOM 155 CA GLY A 11 -2.904 -6.776 4.627 1.00 0.00 C ATOM 156 C GLY A 11 -2.125 -7.278 3.459 1.00 0.00 C ATOM 157 O GLY A 11 -2.274 -6.787 2.367 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.511 -5.918 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.231 -6.439 5.416 1.00 0.00 H new ATOM 161 N LEU A 12 -1.382 -8.356 3.695 1.00 0.00 N ATOM 162 CA LEU A 12 -0.468 -8.963 2.716 1.00 0.00 C ATOM 163 C LEU A 12 -1.158 -9.401 1.410 1.00 0.00 C ATOM 164 O LEU A 12 -0.629 -9.155 0.314 1.00 0.00 O ATOM 165 CB LEU A 12 0.247 -10.168 3.356 1.00 0.00 C ATOM 166 CG LEU A 12 1.295 -10.900 2.493 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.470 -9.992 2.156 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.777 -12.160 3.194 1.00 0.00 C ATOM 0 H LEU A 12 -1.395 -8.847 4.589 1.00 0.00 H new ATOM 0 HA LEU A 12 0.248 -8.189 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.738 -9.826 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.511 -10.892 3.655 1.00 0.00 H new ATOM 0 HG LEU A 12 0.815 -11.184 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.190 -10.539 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.112 -9.124 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.951 -9.662 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.516 -12.663 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.229 -11.894 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.932 -12.827 3.365 1.00 0.00 H new ATOM 180 N CYS A 13 -2.329 -10.010 1.519 1.00 0.00 N ATOM 181 CA CYS A 13 -3.005 -10.551 0.350 1.00 0.00 C ATOM 182 C CYS A 13 -3.472 -9.428 -0.564 1.00 0.00 C ATOM 183 O CYS A 13 -3.129 -9.399 -1.759 1.00 0.00 O ATOM 184 CB CYS A 13 -4.170 -11.467 0.760 1.00 0.00 C ATOM 185 SG CYS A 13 -5.047 -12.248 -0.619 1.00 0.00 S ATOM 0 H CYS A 13 -2.828 -10.141 2.399 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.294 -11.161 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.786 -12.248 1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.884 -10.884 1.342 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.004 -12.996 -0.156 1.00 0.00 H new ATOM 191 N ARG A 14 -4.213 -8.481 -0.014 1.00 0.00 N ATOM 192 CA ARG A 14 -4.673 -7.354 -0.810 1.00 0.00 C ATOM 193 C ARG A 14 -3.494 -6.484 -1.264 1.00 0.00 C ATOM 194 O ARG A 14 -3.503 -5.952 -2.364 1.00 0.00 O ATOM 195 CB ARG A 14 -5.737 -6.520 -0.080 1.00 0.00 C ATOM 196 CG ARG A 14 -5.268 -5.825 1.188 1.00 0.00 C ATOM 197 CD ARG A 14 -6.408 -5.067 1.833 1.00 0.00 C ATOM 198 NE ARG A 14 -7.476 -5.966 2.240 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.702 -5.623 2.590 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.148 -4.397 2.397 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.525 -6.551 3.051 1.00 0.00 N ATOM 0 H ARG A 14 -4.505 -8.468 0.963 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.153 -7.764 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.117 -5.765 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.574 -7.171 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.872 -6.561 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.455 -5.139 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.039 -4.520 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.798 -4.328 1.133 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.256 -6.962 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.543 -3.695 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.098 -4.151 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.210 -7.518 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.475 -6.300 3.325 1.00 0.00 H new ATOM 215 N LEU A 15 -2.470 -6.405 -0.429 1.00 0.00 N ATOM 216 CA LEU A 15 -1.261 -5.643 -0.697 1.00 0.00 C ATOM 217 C LEU A 15 -0.618 -6.091 -1.999 1.00 0.00 C ATOM 218 O LEU A 15 -0.433 -5.285 -2.915 1.00 0.00 O ATOM 219 CB LEU A 15 -0.297 -5.840 0.471 1.00 0.00 C ATOM 220 CG LEU A 15 1.033 -5.130 0.443 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.836 -3.656 0.295 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.771 -5.417 1.726 1.00 0.00 C ATOM 0 H LEU A 15 -2.456 -6.879 0.474 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.509 -4.587 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.814 -5.536 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.099 -6.908 0.559 1.00 0.00 H new ATOM 0 HG LEU A 15 1.612 -5.489 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.806 -3.159 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.306 -3.451 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.252 -3.281 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.734 -4.907 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.183 -5.061 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.930 -6.491 1.822 1.00 0.00 H new ATOM 234 N SER A 16 -0.355 -7.382 -2.106 1.00 0.00 N ATOM 235 CA SER A 16 0.281 -7.933 -3.284 1.00 0.00 C ATOM 236 C SER A 16 -0.658 -7.812 -4.501 1.00 0.00 C ATOM 237 O SER A 16 -0.204 -7.700 -5.630 1.00 0.00 O ATOM 238 CB SER A 16 0.682 -9.401 -3.027 1.00 0.00 C ATOM 239 OG SER A 16 1.428 -9.946 -4.107 1.00 0.00 O ATOM 0 H SER A 16 -0.575 -8.070 -1.385 1.00 0.00 H new ATOM 0 HA SER A 16 1.187 -7.368 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.272 -9.461 -2.112 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.215 -9.999 -2.868 1.00 0.00 H new ATOM 0 HG SER A 16 1.664 -10.876 -3.905 1.00 0.00 H new ATOM 245 N THR A 17 -1.949 -7.792 -4.241 1.00 0.00 N ATOM 246 CA THR A 17 -2.948 -7.681 -5.275 1.00 0.00 C ATOM 247 C THR A 17 -2.991 -6.247 -5.884 1.00 0.00 C ATOM 248 O THR A 17 -2.981 -6.080 -7.112 1.00 0.00 O ATOM 249 CB THR A 17 -4.327 -8.096 -4.702 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.252 -9.452 -4.215 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.419 -8.003 -5.748 1.00 0.00 C ATOM 0 H THR A 17 -2.334 -7.853 -3.298 1.00 0.00 H new ATOM 0 HA THR A 17 -2.685 -8.355 -6.090 1.00 0.00 H new ATOM 0 HB THR A 17 -4.575 -7.411 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.965 -9.448 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.371 -8.302 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.492 -6.977 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.181 -8.664 -6.582 1.00 0.00 H new ATOM 259 N TYR A 18 -3.008 -5.224 -5.032 1.00 0.00 N ATOM 260 CA TYR A 18 -3.047 -3.839 -5.517 1.00 0.00 C ATOM 261 C TYR A 18 -1.712 -3.417 -6.123 1.00 0.00 C ATOM 262 O TYR A 18 -1.677 -2.672 -7.097 1.00 0.00 O ATOM 263 CB TYR A 18 -3.472 -2.849 -4.419 1.00 0.00 C ATOM 264 CG TYR A 18 -4.949 -2.897 -4.026 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.440 -3.883 -3.189 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.840 -1.936 -4.486 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.762 -3.920 -2.818 1.00 0.00 C ATOM 268 CE2 TYR A 18 -7.170 -1.962 -4.111 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.624 -2.960 -3.276 1.00 0.00 C ATOM 270 OH TYR A 18 -8.951 -2.992 -2.886 1.00 0.00 O ATOM 0 H TYR A 18 -2.996 -5.321 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.804 -3.811 -6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.871 -3.039 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.235 -1.839 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.767 -4.642 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.488 -1.157 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.120 -4.704 -2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.850 -1.204 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.303 -2.078 -2.848 1.00 0.00 H new ATOM 280 N LEU A 19 -0.615 -3.926 -5.574 1.00 0.00 N ATOM 281 CA LEU A 19 0.720 -3.579 -6.070 1.00 0.00 C ATOM 282 C LEU A 19 0.979 -4.122 -7.488 1.00 0.00 C ATOM 283 O LEU A 19 1.829 -3.597 -8.218 1.00 0.00 O ATOM 284 CB LEU A 19 1.817 -4.005 -5.082 1.00 0.00 C ATOM 285 CG LEU A 19 1.868 -3.231 -3.743 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.901 -3.841 -2.818 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.196 -1.764 -3.988 1.00 0.00 C ATOM 0 H LEU A 19 -0.619 -4.577 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 19 0.756 -2.492 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.686 -5.064 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.783 -3.899 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 19 0.888 -3.299 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.924 -3.285 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.641 -4.880 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.883 -3.798 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.228 -1.234 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.166 -1.685 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.430 -1.321 -4.624 1.00 0.00 H new ATOM 299 N GLU A 20 0.227 -5.152 -7.882 1.00 0.00 N ATOM 300 CA GLU A 20 0.300 -5.705 -9.243 1.00 0.00 C ATOM 301 C GLU A 20 -0.148 -4.668 -10.280 1.00 0.00 C ATOM 302 O GLU A 20 0.331 -4.662 -11.416 1.00 0.00 O ATOM 303 CB GLU A 20 -0.583 -6.950 -9.370 1.00 0.00 C ATOM 304 CG GLU A 20 -0.017 -8.215 -8.748 1.00 0.00 C ATOM 305 CD GLU A 20 1.157 -8.759 -9.527 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.936 -9.404 -10.577 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.301 -8.547 -9.138 1.00 0.00 O ATOM 0 H GLU A 20 -0.444 -5.625 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 20 1.339 -5.976 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.548 -6.739 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.769 -7.137 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.294 -8.007 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.799 -8.973 -8.696 1.00 0.00 H new ATOM 314 N GLU A 21 -1.025 -3.768 -9.865 1.00 0.00 N ATOM 315 CA GLU A 21 -1.606 -2.769 -10.755 1.00 0.00 C ATOM 316 C GLU A 21 -0.715 -1.549 -10.952 1.00 0.00 C ATOM 317 O GLU A 21 -1.090 -0.613 -11.651 1.00 0.00 O ATOM 318 CB GLU A 21 -2.981 -2.339 -10.250 1.00 0.00 C ATOM 319 CG GLU A 21 -4.044 -3.408 -10.371 1.00 0.00 C ATOM 320 CD GLU A 21 -4.269 -3.796 -11.804 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.890 -3.015 -12.553 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.829 -4.876 -12.223 1.00 0.00 O ATOM 0 H GLU A 21 -1.356 -3.707 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.705 -3.247 -11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.896 -2.043 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.302 -1.458 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.747 -4.286 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.977 -3.046 -9.939 1.00 0.00 H new ATOM 329 N LEU A 22 0.446 -1.553 -10.354 1.00 0.00 N ATOM 330 CA LEU A 22 1.360 -0.441 -10.502 1.00 0.00 C ATOM 331 C LEU A 22 2.403 -0.745 -11.554 1.00 0.00 C ATOM 332 O LEU A 22 2.772 -1.910 -11.757 1.00 0.00 O ATOM 333 CB LEU A 22 2.054 -0.111 -9.174 1.00 0.00 C ATOM 334 CG LEU A 22 1.176 0.405 -8.036 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.029 0.691 -6.820 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.426 1.659 -8.452 1.00 0.00 C ATOM 0 H LEU A 22 0.785 -2.310 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 22 0.775 0.424 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.563 -1.010 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.824 0.635 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 22 0.443 -0.364 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.398 1.059 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.529 -0.224 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.776 1.445 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.192 2.005 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.140 2.437 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.209 1.436 -9.309 1.00 0.00 H new ATOM 348 N GLU A 23 2.835 0.275 -12.262 1.00 0.00 N ATOM 349 CA GLU A 23 3.948 0.154 -13.201 1.00 0.00 C ATOM 350 C GLU A 23 5.231 0.060 -12.414 1.00 0.00 C ATOM 351 O GLU A 23 5.244 0.374 -11.216 1.00 0.00 O ATOM 352 CB GLU A 23 4.062 1.396 -14.084 1.00 0.00 C ATOM 353 CG GLU A 23 2.867 1.697 -14.942 1.00 0.00 C ATOM 354 CD GLU A 23 2.596 0.614 -15.941 1.00 0.00 C ATOM 355 OE1 GLU A 23 3.319 0.551 -16.961 1.00 0.00 O ATOM 356 OE2 GLU A 23 1.681 -0.204 -15.715 1.00 0.00 O ATOM 0 H GLU A 23 2.433 1.211 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 23 3.775 -0.726 -13.821 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.253 2.258 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.931 1.280 -14.731 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.991 1.830 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.027 2.639 -15.466 1.00 0.00 H new ATOM 363 N ALA A 24 6.308 -0.313 -13.077 1.00 0.00 N ATOM 364 CA ALA A 24 7.614 -0.355 -12.437 1.00 0.00 C ATOM 365 C ALA A 24 7.980 1.033 -11.921 1.00 0.00 C ATOM 366 O ALA A 24 8.486 1.170 -10.828 1.00 0.00 O ATOM 367 CB ALA A 24 8.669 -0.863 -13.397 1.00 0.00 C ATOM 0 H ALA A 24 6.308 -0.592 -14.058 1.00 0.00 H new ATOM 0 HA ALA A 24 7.569 -1.046 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.637 -0.885 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.407 -1.869 -13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.723 -0.201 -14.261 1.00 0.00 H new ATOM 373 N VAL A 25 7.642 2.061 -12.697 1.00 0.00 N ATOM 374 CA VAL A 25 7.903 3.446 -12.308 1.00 0.00 C ATOM 375 C VAL A 25 7.059 3.855 -11.074 1.00 0.00 C ATOM 376 O VAL A 25 7.520 4.599 -10.217 1.00 0.00 O ATOM 377 CB VAL A 25 7.676 4.441 -13.499 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.239 4.423 -13.987 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.090 5.857 -13.126 1.00 0.00 C ATOM 0 H VAL A 25 7.185 1.960 -13.603 1.00 0.00 H new ATOM 0 HA VAL A 25 8.955 3.505 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 25 8.311 4.100 -14.317 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.126 5.126 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.983 3.420 -14.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.574 4.710 -13.172 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.920 6.521 -13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.500 6.196 -12.275 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.148 5.869 -12.862 1.00 0.00 H new ATOM 389 N GLU A 26 5.848 3.322 -10.969 1.00 0.00 N ATOM 390 CA GLU A 26 4.980 3.632 -9.840 1.00 0.00 C ATOM 391 C GLU A 26 5.496 2.924 -8.607 1.00 0.00 C ATOM 392 O GLU A 26 5.523 3.491 -7.510 1.00 0.00 O ATOM 393 CB GLU A 26 3.542 3.228 -10.127 1.00 0.00 C ATOM 394 CG GLU A 26 2.903 3.963 -11.286 1.00 0.00 C ATOM 395 CD GLU A 26 1.477 3.534 -11.526 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.265 2.494 -12.173 1.00 0.00 O ATOM 397 OE2 GLU A 26 0.549 4.245 -11.094 1.00 0.00 O ATOM 0 H GLU A 26 5.446 2.676 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 26 4.990 4.709 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.512 2.158 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.944 3.398 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.929 5.035 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.488 3.790 -12.189 1.00 0.00 H new ATOM 404 N LEU A 27 5.935 1.690 -8.805 1.00 0.00 N ATOM 405 CA LEU A 27 6.549 0.913 -7.751 1.00 0.00 C ATOM 406 C LEU A 27 7.805 1.620 -7.274 1.00 0.00 C ATOM 407 O LEU A 27 8.037 1.758 -6.079 1.00 0.00 O ATOM 408 CB LEU A 27 6.877 -0.498 -8.246 1.00 0.00 C ATOM 409 CG LEU A 27 5.678 -1.394 -8.572 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.137 -2.643 -9.289 1.00 0.00 C ATOM 411 CD2 LEU A 27 4.931 -1.770 -7.300 1.00 0.00 C ATOM 0 H LEU A 27 5.874 1.205 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 27 5.852 0.821 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.495 -0.413 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.481 -0.996 -7.487 1.00 0.00 H new ATOM 0 HG LEU A 27 5.002 -0.840 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.275 -3.271 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.637 -2.367 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.830 -3.194 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.083 -2.407 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.602 -2.307 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.573 -0.866 -6.807 1.00 0.00 H new ATOM 423 N LYS A 28 8.580 2.088 -8.238 1.00 0.00 N ATOM 424 CA LYS A 28 9.793 2.858 -8.018 1.00 0.00 C ATOM 425 C LYS A 28 9.501 4.072 -7.133 1.00 0.00 C ATOM 426 O LYS A 28 10.210 4.328 -6.160 1.00 0.00 O ATOM 427 CB LYS A 28 10.336 3.311 -9.377 1.00 0.00 C ATOM 428 CG LYS A 28 11.619 4.103 -9.337 1.00 0.00 C ATOM 429 CD LYS A 28 12.062 4.479 -10.744 1.00 0.00 C ATOM 430 CE LYS A 28 13.420 5.166 -10.751 1.00 0.00 C ATOM 431 NZ LYS A 28 13.432 6.399 -9.940 1.00 0.00 N ATOM 0 H LYS A 28 8.376 1.938 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 28 10.534 2.241 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.494 2.429 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.573 3.914 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.477 5.005 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.398 3.518 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.107 3.582 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.320 5.139 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.174 4.477 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.697 5.407 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.338 6.892 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.654 7.020 -10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.312 6.155 -8.936 1.00 0.00 H new ATOM 445 N LYS A 29 8.428 4.779 -7.449 1.00 0.00 N ATOM 446 CA LYS A 29 8.053 5.961 -6.697 1.00 0.00 C ATOM 447 C LYS A 29 7.656 5.613 -5.267 1.00 0.00 C ATOM 448 O LYS A 29 8.122 6.248 -4.321 1.00 0.00 O ATOM 449 CB LYS A 29 6.897 6.723 -7.349 1.00 0.00 C ATOM 450 CG LYS A 29 7.164 7.347 -8.708 1.00 0.00 C ATOM 451 CD LYS A 29 5.973 8.203 -9.108 1.00 0.00 C ATOM 452 CE LYS A 29 6.195 8.938 -10.413 1.00 0.00 C ATOM 453 NZ LYS A 29 5.042 9.808 -10.734 1.00 0.00 N ATOM 0 H LYS A 29 7.802 4.553 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 29 8.937 6.598 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.054 6.039 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.586 7.515 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.068 7.955 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.334 6.569 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.090 7.571 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.769 8.926 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.102 9.539 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.348 8.219 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.218 10.301 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.183 9.228 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.913 10.507 -9.975 1.00 0.00 H new ATOM 467 N PHE A 30 6.816 4.601 -5.110 1.00 0.00 N ATOM 468 CA PHE A 30 6.302 4.234 -3.797 1.00 0.00 C ATOM 469 C PHE A 30 7.400 3.682 -2.882 1.00 0.00 C ATOM 470 O PHE A 30 7.458 4.026 -1.696 1.00 0.00 O ATOM 471 CB PHE A 30 5.055 3.297 -3.920 1.00 0.00 C ATOM 472 CG PHE A 30 5.183 1.887 -3.382 1.00 0.00 C ATOM 473 CD1 PHE A 30 5.752 0.899 -4.148 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.704 1.551 -2.124 1.00 0.00 C ATOM 475 CE1 PHE A 30 5.857 -0.391 -3.687 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.801 0.262 -1.661 1.00 0.00 C ATOM 477 CZ PHE A 30 5.378 -0.710 -2.440 1.00 0.00 C ATOM 0 H PHE A 30 6.475 4.019 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 30 5.952 5.142 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.221 3.778 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.786 3.231 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.124 1.141 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.251 2.310 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.314 -1.151 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.422 0.012 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.455 -1.723 -2.073 1.00 0.00 H new ATOM 487 N LYS A 31 8.313 2.906 -3.451 1.00 0.00 N ATOM 488 CA LYS A 31 9.380 2.289 -2.673 1.00 0.00 C ATOM 489 C LYS A 31 10.404 3.304 -2.247 1.00 0.00 C ATOM 490 O LYS A 31 10.948 3.203 -1.156 1.00 0.00 O ATOM 491 CB LYS A 31 10.046 1.132 -3.426 1.00 0.00 C ATOM 492 CG LYS A 31 10.802 1.562 -4.678 1.00 0.00 C ATOM 493 CD LYS A 31 11.466 0.407 -5.391 1.00 0.00 C ATOM 494 CE LYS A 31 10.463 -0.582 -5.958 1.00 0.00 C ATOM 495 NZ LYS A 31 11.145 -1.683 -6.643 1.00 0.00 N ATOM 0 H LYS A 31 8.337 2.689 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 31 8.917 1.874 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.737 0.624 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.282 0.407 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.111 2.055 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.559 2.297 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.088 0.792 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.129 -0.110 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.842 -0.977 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.797 -0.072 -6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.531 -2.523 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.357 -1.404 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.031 -1.905 -6.146 1.00 0.00 H new ATOM 509 N LEU A 32 10.678 4.291 -3.081 1.00 0.00 N ATOM 510 CA LEU A 32 11.611 5.294 -2.672 1.00 0.00 C ATOM 511 C LEU A 32 10.947 6.202 -1.696 1.00 0.00 C ATOM 512 O LEU A 32 11.581 6.678 -0.775 1.00 0.00 O ATOM 513 CB LEU A 32 12.260 6.051 -3.859 1.00 0.00 C ATOM 514 CG LEU A 32 11.396 7.009 -4.715 1.00 0.00 C ATOM 515 CD1 LEU A 32 11.194 8.370 -4.044 1.00 0.00 C ATOM 516 CD2 LEU A 32 12.030 7.182 -6.064 1.00 0.00 C ATOM 0 H LEU A 32 10.278 4.409 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 32 12.452 4.804 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.093 6.630 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.683 5.304 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 32 10.408 6.560 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.582 9.004 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.694 8.232 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.162 8.844 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.423 7.856 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.029 7.601 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.100 6.214 -6.560 1.00 0.00 H new ATOM 528 N TYR A 33 9.644 6.406 -1.872 1.00 0.00 N ATOM 529 CA TYR A 33 8.909 7.245 -0.982 1.00 0.00 C ATOM 530 C TYR A 33 8.937 6.677 0.415 1.00 0.00 C ATOM 531 O TYR A 33 9.597 7.222 1.265 1.00 0.00 O ATOM 532 CB TYR A 33 7.455 7.502 -1.433 1.00 0.00 C ATOM 533 CG TYR A 33 6.741 8.444 -0.485 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.800 9.810 -0.670 1.00 0.00 C ATOM 535 CD2 TYR A 33 6.063 7.960 0.630 1.00 0.00 C ATOM 536 CE1 TYR A 33 6.212 10.673 0.232 1.00 0.00 C ATOM 537 CE2 TYR A 33 5.465 8.801 1.525 1.00 0.00 C ATOM 538 CZ TYR A 33 5.543 10.164 1.327 1.00 0.00 C ATOM 539 OH TYR A 33 4.987 11.022 2.248 1.00 0.00 O ATOM 0 H TYR A 33 9.093 5.995 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 33 9.405 8.215 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.453 7.924 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.915 6.556 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.313 10.209 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.008 6.894 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.275 11.741 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.937 8.403 2.379 1.00 0.00 H new ATOM 0 HH TYR A 33 5.611 11.151 2.993 1.00 0.00 H new ATOM 549 N LEU A 34 8.276 5.552 0.629 1.00 0.00 N ATOM 550 CA LEU A 34 8.176 4.986 1.968 1.00 0.00 C ATOM 551 C LEU A 34 9.471 4.349 2.425 1.00 0.00 C ATOM 552 O LEU A 34 9.701 4.158 3.608 1.00 0.00 O ATOM 553 CB LEU A 34 6.960 4.041 2.109 1.00 0.00 C ATOM 554 CG LEU A 34 6.779 2.886 1.100 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.827 1.789 1.254 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.395 2.312 1.239 1.00 0.00 C ATOM 0 H LEU A 34 7.804 5.015 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 34 7.998 5.819 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.000 3.602 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.061 4.656 2.068 1.00 0.00 H new ATOM 0 HG LEU A 34 6.915 3.302 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.646 1.007 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.820 2.210 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.765 1.365 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.266 1.497 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.258 1.934 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.657 3.089 1.038 1.00 0.00 H new ATOM 568 N GLY A 35 10.324 4.046 1.490 1.00 0.00 N ATOM 569 CA GLY A 35 11.563 3.454 1.842 1.00 0.00 C ATOM 570 C GLY A 35 12.524 4.464 2.401 1.00 0.00 C ATOM 571 O GLY A 35 13.238 4.188 3.366 1.00 0.00 O ATOM 0 H GLY A 35 10.179 4.200 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.394 2.667 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.003 2.981 0.964 1.00 0.00 H new ATOM 575 N THR A 36 12.541 5.644 1.817 1.00 0.00 N ATOM 576 CA THR A 36 13.441 6.685 2.309 1.00 0.00 C ATOM 577 C THR A 36 12.698 7.645 3.253 1.00 0.00 C ATOM 578 O THR A 36 13.302 8.565 3.828 1.00 0.00 O ATOM 579 CB THR A 36 14.138 7.491 1.155 1.00 0.00 C ATOM 580 OG1 THR A 36 13.195 8.293 0.431 1.00 0.00 O ATOM 581 CG2 THR A 36 14.838 6.556 0.168 1.00 0.00 C ATOM 0 H THR A 36 11.961 5.910 1.021 1.00 0.00 H new ATOM 0 HA THR A 36 14.230 6.173 2.860 1.00 0.00 H new ATOM 0 HB THR A 36 14.875 8.138 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.413 7.750 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.310 7.145 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.597 5.976 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.106 5.880 -0.275 1.00 0.00 H new ATOM 589 N ALA A 37 11.391 7.402 3.411 1.00 0.00 N ATOM 590 CA ALA A 37 10.499 8.228 4.233 1.00 0.00 C ATOM 591 C ALA A 37 10.956 8.319 5.665 1.00 0.00 C ATOM 592 O ALA A 37 10.998 7.321 6.398 1.00 0.00 O ATOM 593 CB ALA A 37 9.076 7.711 4.179 1.00 0.00 C ATOM 0 H ALA A 37 10.918 6.616 2.966 1.00 0.00 H new ATOM 0 HA ALA A 37 10.532 9.232 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.436 8.341 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.720 7.732 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.046 6.687 4.552 1.00 0.00 H new ATOM 599 N THR A 38 11.259 9.512 6.071 1.00 0.00 N ATOM 600 CA THR A 38 11.758 9.749 7.382 1.00 0.00 C ATOM 601 C THR A 38 10.609 10.004 8.385 1.00 0.00 C ATOM 602 O THR A 38 10.797 9.918 9.589 1.00 0.00 O ATOM 603 CB THR A 38 12.815 10.880 7.347 1.00 0.00 C ATOM 604 OG1 THR A 38 13.807 10.524 6.348 1.00 0.00 O ATOM 605 CG2 THR A 38 13.524 11.038 8.691 1.00 0.00 C ATOM 0 H THR A 38 11.166 10.350 5.497 1.00 0.00 H new ATOM 0 HA THR A 38 12.263 8.854 7.745 1.00 0.00 H new ATOM 0 HB THR A 38 12.314 11.820 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.491 11.225 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.257 11.842 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.792 11.278 9.462 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.029 10.107 8.948 1.00 0.00 H new ATOM 613 N GLU A 39 9.389 10.204 7.875 1.00 0.00 N ATOM 614 CA GLU A 39 8.212 10.390 8.750 1.00 0.00 C ATOM 615 C GLU A 39 7.813 9.055 9.387 1.00 0.00 C ATOM 616 O GLU A 39 6.963 8.987 10.278 1.00 0.00 O ATOM 617 CB GLU A 39 6.986 10.998 8.017 1.00 0.00 C ATOM 618 CG GLU A 39 6.435 10.177 6.842 1.00 0.00 C ATOM 619 CD GLU A 39 7.085 10.499 5.518 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.328 10.508 5.438 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.346 10.754 4.534 1.00 0.00 O ATOM 0 H GLU A 39 9.185 10.242 6.876 1.00 0.00 H new ATOM 0 HA GLU A 39 8.512 11.105 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.186 11.140 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.260 11.986 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.572 9.117 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.362 10.350 6.761 1.00 0.00 H new ATOM 628 N LEU A 40 8.441 8.001 8.913 1.00 0.00 N ATOM 629 CA LEU A 40 8.230 6.653 9.412 1.00 0.00 C ATOM 630 C LEU A 40 9.235 6.351 10.518 1.00 0.00 C ATOM 631 O LEU A 40 9.409 5.211 10.953 1.00 0.00 O ATOM 632 CB LEU A 40 8.457 5.681 8.296 1.00 0.00 C ATOM 633 CG LEU A 40 7.600 5.846 7.037 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.951 4.795 6.027 1.00 0.00 C ATOM 635 CD2 LEU A 40 6.115 5.795 7.340 1.00 0.00 C ATOM 0 H LEU A 40 9.124 8.054 8.158 1.00 0.00 H new ATOM 0 HA LEU A 40 7.214 6.567 9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.505 5.744 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.295 4.676 8.685 1.00 0.00 H new ATOM 0 HG LEU A 40 7.818 6.833 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.334 4.925 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.003 4.888 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.772 3.807 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.551 5.917 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.869 4.834 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.857 6.598 8.031 1.00 0.00 H new ATOM 647 N GLY A 41 9.928 7.360 10.888 1.00 0.00 N ATOM 648 CA GLY A 41 10.918 7.292 11.918 1.00 0.00 C ATOM 649 C GLY A 41 12.263 7.596 11.342 1.00 0.00 C ATOM 650 O GLY A 41 12.755 8.718 11.441 1.00 0.00 O ATOM 0 H GLY A 41 9.827 8.288 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.682 8.002 12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.920 6.300 12.369 1.00 0.00 H new ATOM 654 N GLU A 42 12.848 6.606 10.719 1.00 0.00 N ATOM 655 CA GLU A 42 14.142 6.764 10.062 1.00 0.00 C ATOM 656 C GLU A 42 14.079 6.170 8.665 1.00 0.00 C ATOM 657 O GLU A 42 15.010 6.314 7.862 1.00 0.00 O ATOM 658 CB GLU A 42 15.202 6.009 10.853 1.00 0.00 C ATOM 659 CG GLU A 42 15.310 6.415 12.304 1.00 0.00 C ATOM 660 CD GLU A 42 16.203 5.496 13.062 1.00 0.00 C ATOM 661 OE1 GLU A 42 15.743 4.401 13.453 1.00 0.00 O ATOM 662 OE2 GLU A 42 17.364 5.828 13.278 1.00 0.00 O ATOM 0 H GLU A 42 12.453 5.668 10.647 1.00 0.00 H new ATOM 0 HA GLU A 42 14.389 7.824 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.983 4.942 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.170 6.159 10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.693 7.433 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.319 6.417 12.757 1.00 0.00 H new ATOM 669 N GLY A 43 12.963 5.552 8.364 1.00 0.00 N ATOM 670 CA GLY A 43 12.846 4.787 7.159 1.00 0.00 C ATOM 671 C GLY A 43 12.954 3.332 7.518 1.00 0.00 C ATOM 672 O GLY A 43 14.020 2.857 7.893 1.00 0.00 O ATOM 0 H GLY A 43 12.123 5.568 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.893 4.989 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.630 5.064 6.454 1.00 0.00 H new ATOM 676 N LYS A 44 11.854 2.628 7.442 1.00 0.00 N ATOM 677 CA LYS A 44 11.809 1.237 7.885 1.00 0.00 C ATOM 678 C LYS A 44 12.380 0.282 6.846 1.00 0.00 C ATOM 679 O LYS A 44 12.654 -0.871 7.139 1.00 0.00 O ATOM 680 CB LYS A 44 10.381 0.853 8.281 1.00 0.00 C ATOM 681 CG LYS A 44 9.825 1.671 9.446 1.00 0.00 C ATOM 682 CD LYS A 44 10.587 1.391 10.737 1.00 0.00 C ATOM 683 CE LYS A 44 10.131 2.281 11.878 1.00 0.00 C ATOM 684 NZ LYS A 44 8.684 2.178 12.154 1.00 0.00 N ATOM 0 H LYS A 44 10.971 2.986 7.079 1.00 0.00 H new ATOM 0 HA LYS A 44 12.446 1.147 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.728 0.977 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.359 -0.204 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.886 2.733 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.770 1.436 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.452 0.346 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.653 1.540 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.686 2.019 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.377 3.317 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.450 2.743 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.148 2.535 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.433 1.183 12.324 1.00 0.00 H new ATOM 698 N ILE A 45 12.577 0.778 5.655 1.00 0.00 N ATOM 699 CA ILE A 45 13.137 -0.010 4.585 1.00 0.00 C ATOM 700 C ILE A 45 14.658 0.205 4.560 1.00 0.00 C ATOM 701 O ILE A 45 15.122 1.357 4.611 1.00 0.00 O ATOM 702 CB ILE A 45 12.542 0.414 3.218 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.006 0.251 3.185 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.180 -0.373 2.088 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.525 -1.184 3.254 1.00 0.00 C ATOM 0 H ILE A 45 12.355 1.739 5.396 1.00 0.00 H new ATOM 0 HA ILE A 45 12.899 -1.060 4.756 1.00 0.00 H new ATOM 0 HB ILE A 45 12.766 1.472 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.576 0.805 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.625 0.705 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.748 -0.060 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.254 -0.188 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.997 -1.437 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.436 -1.204 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.921 -1.742 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.872 -1.640 4.181 1.00 0.00 H new ATOM 717 N PRO A 46 15.456 -0.873 4.522 1.00 0.00 N ATOM 718 CA PRO A 46 16.906 -0.765 4.472 1.00 0.00 C ATOM 719 C PRO A 46 17.383 -0.161 3.151 1.00 0.00 C ATOM 720 O PRO A 46 17.039 -0.666 2.074 1.00 0.00 O ATOM 721 CB PRO A 46 17.398 -2.211 4.615 1.00 0.00 C ATOM 722 CG PRO A 46 16.246 -3.059 4.212 1.00 0.00 C ATOM 723 CD PRO A 46 15.007 -2.276 4.538 1.00 0.00 C ATOM 0 HA PRO A 46 17.291 -0.107 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.264 -2.396 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.703 -2.423 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.289 -3.292 3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.257 -4.009 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.220 -2.451 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.604 -2.555 5.511 1.00 0.00 H new ATOM 731 N TRP A 47 18.139 0.943 3.282 1.00 0.00 N ATOM 732 CA TRP A 47 18.779 1.728 2.236 1.00 0.00 C ATOM 733 C TRP A 47 18.062 1.788 0.883 1.00 0.00 C ATOM 734 O TRP A 47 17.381 2.773 0.568 1.00 0.00 O ATOM 735 CB TRP A 47 20.292 1.416 2.123 1.00 0.00 C ATOM 736 CG TRP A 47 20.655 -0.038 1.996 1.00 0.00 C ATOM 737 CD1 TRP A 47 20.838 -0.741 0.846 1.00 0.00 C ATOM 738 CD2 TRP A 47 20.890 -0.958 3.067 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.142 -2.035 1.133 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.189 -2.198 2.487 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.870 -0.850 4.461 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.463 -3.328 3.245 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.144 -1.970 5.212 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.437 -3.194 4.602 1.00 0.00 C ATOM 0 H TRP A 47 18.328 1.334 4.205 1.00 0.00 H new ATOM 0 HA TRP A 47 18.677 2.756 2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.689 1.947 1.258 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.793 1.820 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 47 20.754 -0.331 -0.150 1.00 0.00 H new ATOM 0 HE1 TRP A 47 21.309 -2.769 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.644 0.092 4.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 21.688 -4.276 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.133 -1.903 6.290 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.648 -4.054 5.221 1.00 0.00 H new ATOM 755 N GLY A 48 18.212 0.751 0.128 1.00 0.00 N ATOM 756 CA GLY A 48 17.649 0.663 -1.187 1.00 0.00 C ATOM 757 C GLY A 48 17.447 -0.769 -1.597 1.00 0.00 C ATOM 758 O GLY A 48 17.443 -1.092 -2.771 1.00 0.00 O ATOM 0 H GLY A 48 18.738 -0.077 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.695 1.190 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.306 1.159 -1.901 1.00 0.00 H new ATOM 762 N SER A 49 17.228 -1.637 -0.624 1.00 0.00 N ATOM 763 CA SER A 49 17.046 -3.052 -0.898 1.00 0.00 C ATOM 764 C SER A 49 15.699 -3.295 -1.599 1.00 0.00 C ATOM 765 O SER A 49 15.457 -4.353 -2.185 1.00 0.00 O ATOM 766 CB SER A 49 17.119 -3.810 0.412 1.00 0.00 C ATOM 767 OG SER A 49 18.265 -3.403 1.136 1.00 0.00 O ATOM 0 H SER A 49 17.172 -1.386 0.363 1.00 0.00 H new ATOM 0 HA SER A 49 17.832 -3.405 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.221 -3.625 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.160 -4.882 0.221 1.00 0.00 H new ATOM 0 HG SER A 49 18.061 -2.588 1.641 1.00 0.00 H new ATOM 773 N MET A 50 14.850 -2.283 -1.562 1.00 0.00 N ATOM 774 CA MET A 50 13.540 -2.330 -2.180 1.00 0.00 C ATOM 775 C MET A 50 13.598 -2.163 -3.694 1.00 0.00 C ATOM 776 O MET A 50 12.622 -2.438 -4.393 1.00 0.00 O ATOM 777 CB MET A 50 12.567 -1.322 -1.533 1.00 0.00 C ATOM 778 CG MET A 50 13.126 0.077 -1.243 1.00 0.00 C ATOM 779 SD MET A 50 13.807 0.937 -2.672 1.00 0.00 S ATOM 780 CE MET A 50 14.270 2.508 -1.939 1.00 0.00 C ATOM 0 H MET A 50 15.054 -1.398 -1.097 1.00 0.00 H new ATOM 0 HA MET A 50 13.148 -3.330 -1.994 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.701 -1.215 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.208 -1.747 -0.596 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.331 0.688 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.904 -0.009 -0.485 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.740 3.137 -2.694 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.380 3.006 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 50 14.971 2.336 -1.122 1.00 0.00 H new ATOM 790 N GLU A 51 14.740 -1.743 -4.200 1.00 0.00 N ATOM 791 CA GLU A 51 14.937 -1.566 -5.629 1.00 0.00 C ATOM 792 C GLU A 51 14.772 -2.887 -6.360 1.00 0.00 C ATOM 793 O GLU A 51 14.113 -2.965 -7.384 1.00 0.00 O ATOM 794 CB GLU A 51 16.315 -1.015 -5.887 1.00 0.00 C ATOM 795 CG GLU A 51 16.502 0.429 -5.437 1.00 0.00 C ATOM 796 CD GLU A 51 17.906 0.929 -5.663 1.00 0.00 C ATOM 797 OE1 GLU A 51 18.330 1.043 -6.838 1.00 0.00 O ATOM 798 OE2 GLU A 51 18.620 1.221 -4.690 1.00 0.00 O ATOM 0 H GLU A 51 15.558 -1.514 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 51 14.187 -0.866 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.046 -1.641 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.528 -1.082 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.802 1.067 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.257 0.510 -4.378 1.00 0.00 H new ATOM 805 N LYS A 52 15.314 -3.925 -5.770 1.00 0.00 N ATOM 806 CA LYS A 52 15.280 -5.280 -6.334 1.00 0.00 C ATOM 807 C LYS A 52 14.007 -6.012 -5.907 1.00 0.00 C ATOM 808 O LYS A 52 13.927 -7.237 -5.975 1.00 0.00 O ATOM 809 CB LYS A 52 16.466 -6.072 -5.813 1.00 0.00 C ATOM 810 CG LYS A 52 17.823 -5.492 -6.134 1.00 0.00 C ATOM 811 CD LYS A 52 18.890 -6.349 -5.504 1.00 0.00 C ATOM 812 CE LYS A 52 20.284 -5.845 -5.787 1.00 0.00 C ATOM 813 NZ LYS A 52 21.296 -6.718 -5.166 1.00 0.00 N ATOM 0 H LYS A 52 15.799 -3.867 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 52 15.310 -5.197 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.375 -6.161 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.415 -7.081 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.966 -5.447 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.893 -4.470 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.733 -6.384 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.795 -7.370 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.447 -5.801 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.392 -4.829 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.246 -6.351 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.151 -6.739 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.205 -7.681 -5.548 1.00 0.00 H new ATOM 827 N ALA A 53 13.039 -5.279 -5.471 1.00 0.00 N ATOM 828 CA ALA A 53 11.831 -5.860 -4.982 1.00 0.00 C ATOM 829 C ALA A 53 10.670 -5.500 -5.886 1.00 0.00 C ATOM 830 O ALA A 53 10.419 -4.316 -6.148 1.00 0.00 O ATOM 831 CB ALA A 53 11.585 -5.387 -3.560 1.00 0.00 C ATOM 0 H ALA A 53 13.061 -4.260 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 53 11.924 -6.946 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.663 -5.829 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.418 -5.691 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.498 -4.301 -3.548 1.00 0.00 H new ATOM 837 N GLY A 54 9.986 -6.510 -6.377 1.00 0.00 N ATOM 838 CA GLY A 54 8.835 -6.295 -7.194 1.00 0.00 C ATOM 839 C GLY A 54 7.608 -6.249 -6.317 1.00 0.00 C ATOM 840 O GLY A 54 7.751 -6.282 -5.105 1.00 0.00 O ATOM 0 H GLY A 54 10.217 -7.491 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.936 -5.362 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.742 -7.094 -7.930 1.00 0.00 H new ATOM 844 N PRO A 55 6.395 -6.228 -6.884 1.00 0.00 N ATOM 845 CA PRO A 55 5.146 -6.091 -6.106 1.00 0.00 C ATOM 846 C PRO A 55 4.993 -7.152 -5.006 1.00 0.00 C ATOM 847 O PRO A 55 4.563 -6.843 -3.894 1.00 0.00 O ATOM 848 CB PRO A 55 4.029 -6.215 -7.148 1.00 0.00 C ATOM 849 CG PRO A 55 4.683 -6.683 -8.407 1.00 0.00 C ATOM 850 CD PRO A 55 6.134 -6.326 -8.324 1.00 0.00 C ATOM 0 HA PRO A 55 5.128 -5.143 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.267 -6.922 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.531 -5.257 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.560 -7.760 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.222 -6.212 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.759 -7.086 -8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.343 -5.385 -8.832 1.00 0.00 H new ATOM 858 N LEU A 56 5.397 -8.377 -5.311 1.00 0.00 N ATOM 859 CA LEU A 56 5.311 -9.474 -4.340 1.00 0.00 C ATOM 860 C LEU A 56 6.301 -9.252 -3.225 1.00 0.00 C ATOM 861 O LEU A 56 5.935 -9.220 -2.056 1.00 0.00 O ATOM 862 CB LEU A 56 5.579 -10.860 -4.969 1.00 0.00 C ATOM 863 CG LEU A 56 4.571 -11.409 -5.990 1.00 0.00 C ATOM 864 CD1 LEU A 56 4.644 -10.670 -7.318 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.795 -12.899 -6.182 1.00 0.00 C ATOM 0 H LEU A 56 5.786 -8.642 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 56 4.289 -9.472 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.554 -10.821 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.656 -11.583 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 56 3.568 -11.247 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.914 -11.091 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.426 -9.614 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.644 -10.775 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.078 -13.284 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.808 -13.071 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.660 -13.413 -5.230 1.00 0.00 H new ATOM 877 N GLU A 57 7.553 -9.053 -3.606 1.00 0.00 N ATOM 878 CA GLU A 57 8.634 -8.856 -2.657 1.00 0.00 C ATOM 879 C GLU A 57 8.379 -7.616 -1.805 1.00 0.00 C ATOM 880 O GLU A 57 8.633 -7.617 -0.610 1.00 0.00 O ATOM 881 CB GLU A 57 10.003 -8.756 -3.357 1.00 0.00 C ATOM 882 CG GLU A 57 10.447 -9.994 -4.159 1.00 0.00 C ATOM 883 CD GLU A 57 9.634 -10.244 -5.408 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.601 -9.364 -6.297 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.046 -11.337 -5.544 1.00 0.00 O ATOM 0 H GLU A 57 7.847 -9.024 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 57 8.661 -9.732 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.982 -7.900 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.760 -8.547 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.494 -9.877 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.384 -10.872 -3.516 1.00 0.00 H new ATOM 892 N MET A 58 7.838 -6.575 -2.430 1.00 0.00 N ATOM 893 CA MET A 58 7.478 -5.339 -1.737 1.00 0.00 C ATOM 894 C MET A 58 6.457 -5.600 -0.670 1.00 0.00 C ATOM 895 O MET A 58 6.621 -5.159 0.457 1.00 0.00 O ATOM 896 CB MET A 58 6.977 -4.261 -2.714 1.00 0.00 C ATOM 897 CG MET A 58 8.076 -3.593 -3.546 1.00 0.00 C ATOM 898 SD MET A 58 8.829 -2.123 -2.776 1.00 0.00 S ATOM 899 CE MET A 58 9.402 -2.739 -1.196 1.00 0.00 C ATOM 0 H MET A 58 7.636 -6.563 -3.430 1.00 0.00 H new ATOM 0 HA MET A 58 8.383 -4.959 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.251 -4.712 -3.391 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.451 -3.493 -2.148 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.860 -4.325 -3.742 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.658 -3.307 -4.511 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.970 -1.961 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.546 -3.023 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.039 -3.609 -1.354 1.00 0.00 H new ATOM 909 N ALA A 59 5.436 -6.363 -1.012 1.00 0.00 N ATOM 910 CA ALA A 59 4.389 -6.713 -0.074 1.00 0.00 C ATOM 911 C ALA A 59 4.981 -7.408 1.156 1.00 0.00 C ATOM 912 O ALA A 59 4.647 -7.088 2.306 1.00 0.00 O ATOM 913 CB ALA A 59 3.358 -7.607 -0.753 1.00 0.00 C ATOM 0 H ALA A 59 5.310 -6.756 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 59 3.894 -5.800 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.575 -7.865 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.919 -7.078 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.842 -8.518 -1.106 1.00 0.00 H new ATOM 919 N GLN A 60 5.910 -8.298 0.897 1.00 0.00 N ATOM 920 CA GLN A 60 6.573 -9.065 1.927 1.00 0.00 C ATOM 921 C GLN A 60 7.512 -8.175 2.753 1.00 0.00 C ATOM 922 O GLN A 60 7.634 -8.353 3.964 1.00 0.00 O ATOM 923 CB GLN A 60 7.335 -10.197 1.288 1.00 0.00 C ATOM 924 CG GLN A 60 6.473 -11.052 0.381 1.00 0.00 C ATOM 925 CD GLN A 60 7.285 -12.017 -0.448 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.436 -11.746 -0.779 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.705 -13.125 -0.804 1.00 0.00 N ATOM 0 H GLN A 60 6.231 -8.513 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 60 5.825 -9.473 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.166 -9.789 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.766 -10.824 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.758 -11.610 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.896 -10.406 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.747 -13.317 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.208 -13.803 -1.377 1.00 0.00 H new ATOM 936 N LEU A 61 8.172 -7.228 2.101 1.00 0.00 N ATOM 937 CA LEU A 61 9.014 -6.265 2.806 1.00 0.00 C ATOM 938 C LEU A 61 8.177 -5.408 3.742 1.00 0.00 C ATOM 939 O LEU A 61 8.447 -5.352 4.942 1.00 0.00 O ATOM 940 CB LEU A 61 9.852 -5.378 1.845 1.00 0.00 C ATOM 941 CG LEU A 61 11.318 -5.805 1.594 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.412 -7.166 0.925 1.00 0.00 C ATOM 943 CD2 LEU A 61 12.068 -4.743 0.779 1.00 0.00 C ATOM 0 H LEU A 61 8.143 -7.104 1.089 1.00 0.00 H new ATOM 0 HA LEU A 61 9.727 -6.842 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.340 -5.343 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.858 -4.362 2.240 1.00 0.00 H new ATOM 0 HG LEU A 61 11.796 -5.892 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.460 -7.423 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.945 -7.917 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.899 -7.135 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.096 -5.068 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.574 -4.607 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.068 -3.799 1.324 1.00 0.00 H new ATOM 955 N LEU A 62 7.126 -4.796 3.212 1.00 0.00 N ATOM 956 CA LEU A 62 6.244 -3.951 4.012 1.00 0.00 C ATOM 957 C LEU A 62 5.659 -4.719 5.197 1.00 0.00 C ATOM 958 O LEU A 62 5.611 -4.207 6.307 1.00 0.00 O ATOM 959 CB LEU A 62 5.089 -3.355 3.185 1.00 0.00 C ATOM 960 CG LEU A 62 5.338 -2.122 2.281 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.516 -2.304 1.366 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.093 -1.873 1.468 1.00 0.00 C ATOM 0 H LEU A 62 6.862 -4.868 2.229 1.00 0.00 H new ATOM 0 HA LEU A 62 6.866 -3.134 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.702 -4.151 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.294 -3.090 3.882 1.00 0.00 H new ATOM 0 HG LEU A 62 5.568 -1.270 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.644 -1.410 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.415 -2.470 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.344 -3.164 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.247 -1.008 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.877 -2.748 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.254 -1.683 2.137 1.00 0.00 H new ATOM 974 N ILE A 63 5.237 -5.947 4.957 1.00 0.00 N ATOM 975 CA ILE A 63 4.639 -6.774 6.010 1.00 0.00 C ATOM 976 C ILE A 63 5.683 -7.106 7.121 1.00 0.00 C ATOM 977 O ILE A 63 5.348 -7.210 8.310 1.00 0.00 O ATOM 978 CB ILE A 63 3.984 -8.075 5.384 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.707 -8.486 6.128 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.952 -9.261 5.303 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.901 -8.979 7.548 1.00 0.00 C ATOM 0 H ILE A 63 5.294 -6.401 4.045 1.00 0.00 H new ATOM 0 HA ILE A 63 3.841 -6.210 6.492 1.00 0.00 H new ATOM 0 HB ILE A 63 3.722 -7.802 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.030 -7.632 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.212 -9.270 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.441 -10.119 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.806 -8.992 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.298 -9.517 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.934 -9.242 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.546 -9.857 7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.362 -8.193 8.146 1.00 0.00 H new ATOM 993 N THR A 64 6.931 -7.195 6.733 1.00 0.00 N ATOM 994 CA THR A 64 7.994 -7.529 7.644 1.00 0.00 C ATOM 995 C THR A 64 8.490 -6.289 8.415 1.00 0.00 C ATOM 996 O THR A 64 8.687 -6.340 9.648 1.00 0.00 O ATOM 997 CB THR A 64 9.151 -8.206 6.867 1.00 0.00 C ATOM 998 OG1 THR A 64 8.649 -9.397 6.231 1.00 0.00 O ATOM 999 CG2 THR A 64 10.317 -8.573 7.776 1.00 0.00 C ATOM 0 H THR A 64 7.238 -7.037 5.773 1.00 0.00 H new ATOM 0 HA THR A 64 7.609 -8.229 8.385 1.00 0.00 H new ATOM 0 HB THR A 64 9.522 -7.496 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.460 -9.209 5.288 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.103 -9.045 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.708 -7.672 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.975 -9.266 8.545 1.00 0.00 H new ATOM 1007 N HIS A 65 8.652 -5.188 7.712 1.00 0.00 N ATOM 1008 CA HIS A 65 9.170 -3.972 8.319 1.00 0.00 C ATOM 1009 C HIS A 65 8.079 -3.221 9.070 1.00 0.00 C ATOM 1010 O HIS A 65 8.264 -2.819 10.217 1.00 0.00 O ATOM 1011 CB HIS A 65 9.834 -3.051 7.273 1.00 0.00 C ATOM 1012 CG HIS A 65 11.008 -3.667 6.554 1.00 0.00 C ATOM 1013 ND1 HIS A 65 12.225 -3.917 7.135 1.00 0.00 N ATOM 1014 CD2 HIS A 65 11.114 -4.102 5.283 1.00 0.00 C ATOM 1015 CE1 HIS A 65 13.011 -4.483 6.226 1.00 0.00 C ATOM 1016 NE2 HIS A 65 12.382 -4.621 5.075 1.00 0.00 N ATOM 0 H HIS A 65 8.433 -5.106 6.719 1.00 0.00 H new ATOM 0 HA HIS A 65 9.935 -4.274 9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.085 -2.759 6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.166 -2.139 7.769 1.00 0.00 H new ATOM 0 HD1 HIS A 65 12.482 -3.705 8.099 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.331 -4.054 4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.031 -4.790 6.406 1.00 0.00 H new ATOM 1024 N PHE A 66 6.962 -3.019 8.426 1.00 0.00 N ATOM 1025 CA PHE A 66 5.845 -2.331 9.033 1.00 0.00 C ATOM 1026 C PHE A 66 4.996 -3.271 9.877 1.00 0.00 C ATOM 1027 O PHE A 66 5.133 -3.309 11.105 1.00 0.00 O ATOM 1028 CB PHE A 66 5.025 -1.621 7.953 1.00 0.00 C ATOM 1029 CG PHE A 66 5.865 -0.672 7.202 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.232 0.519 7.769 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.340 -0.998 5.955 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.059 1.381 7.102 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.174 -0.154 5.280 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.536 1.038 5.850 1.00 0.00 C ATOM 0 H PHE A 66 6.796 -3.324 7.467 1.00 0.00 H new ATOM 0 HA PHE A 66 6.230 -1.576 9.718 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.599 -2.356 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.190 -1.091 8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.866 0.780 8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.050 -1.935 5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.338 2.323 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.546 -0.424 4.303 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.195 1.711 5.321 1.00 0.00 H new ATOM 1044 N GLY A 67 4.192 -4.060 9.235 1.00 0.00 N ATOM 1045 CA GLY A 67 3.320 -4.964 9.931 1.00 0.00 C ATOM 1046 C GLY A 67 2.248 -5.428 9.007 1.00 0.00 C ATOM 1047 O GLY A 67 2.209 -4.962 7.887 1.00 0.00 O ATOM 0 H GLY A 67 4.119 -4.099 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.886 -5.817 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.880 -4.468 10.796 1.00 0.00 H new ATOM 1051 N PRO A 68 1.353 -6.322 9.431 1.00 0.00 N ATOM 1052 CA PRO A 68 0.307 -6.865 8.557 1.00 0.00 C ATOM 1053 C PRO A 68 -0.641 -5.800 8.022 1.00 0.00 C ATOM 1054 O PRO A 68 -0.974 -5.791 6.847 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.447 -7.870 9.445 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.087 -7.504 10.846 1.00 0.00 C ATOM 1057 CD PRO A 68 1.287 -6.897 10.787 1.00 0.00 C ATOM 0 HA PRO A 68 0.741 -7.317 7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.523 -7.805 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.152 -8.894 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.806 -6.797 11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.096 -8.382 11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.421 -6.134 11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.063 -7.646 10.943 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.031 -4.889 8.872 1.00 0.00 N ATOM 1066 CA GLU A 69 -1.986 -3.872 8.494 1.00 0.00 C ATOM 1067 C GLU A 69 -1.270 -2.598 8.138 1.00 0.00 C ATOM 1068 O GLU A 69 -1.736 -1.814 7.301 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.943 -3.633 9.637 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.625 -4.892 10.109 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.571 -4.630 11.225 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -4.119 -4.434 12.370 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -5.789 -4.592 10.979 1.00 0.00 O ATOM 0 H GLU A 69 -0.703 -4.827 9.836 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.547 -4.208 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.400 -3.186 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.699 -2.912 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.163 -5.346 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.873 -5.612 10.433 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.125 -2.403 8.767 1.00 0.00 N ATOM 1081 CA GLU A 70 0.688 -1.239 8.541 1.00 0.00 C ATOM 1082 C GLU A 70 1.194 -1.270 7.099 1.00 0.00 C ATOM 1083 O GLU A 70 1.235 -0.259 6.440 1.00 0.00 O ATOM 1084 CB GLU A 70 1.858 -1.231 9.520 1.00 0.00 C ATOM 1085 CG GLU A 70 2.464 0.145 9.756 1.00 0.00 C ATOM 1086 CD GLU A 70 1.541 1.047 10.551 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.630 1.676 9.981 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.689 1.118 11.787 1.00 0.00 O ATOM 0 H GLU A 70 0.262 -3.054 9.450 1.00 0.00 H new ATOM 0 HA GLU A 70 0.103 -0.333 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.521 -1.636 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.634 -1.899 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.410 0.038 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.688 0.611 8.797 1.00 0.00 H new ATOM 1095 N ALA A 71 1.537 -2.469 6.626 1.00 0.00 N ATOM 1096 CA ALA A 71 1.960 -2.694 5.242 1.00 0.00 C ATOM 1097 C ALA A 71 0.913 -2.209 4.256 1.00 0.00 C ATOM 1098 O ALA A 71 1.226 -1.457 3.336 1.00 0.00 O ATOM 1099 CB ALA A 71 2.206 -4.165 5.010 1.00 0.00 C ATOM 0 H ALA A 71 1.529 -3.316 7.195 1.00 0.00 H new ATOM 0 HA ALA A 71 2.879 -2.129 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.520 -4.323 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.988 -4.514 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.288 -4.722 5.199 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.331 -2.633 4.461 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.421 -2.237 3.585 1.00 0.00 C ATOM 1107 C TRP A 72 -1.610 -0.729 3.615 1.00 0.00 C ATOM 1108 O TRP A 72 -1.738 -0.078 2.562 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.726 -2.984 3.934 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.944 -2.467 3.203 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.150 -2.151 3.752 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.053 -2.159 1.804 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.001 -1.691 2.783 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.348 -1.683 1.582 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.176 -2.241 0.724 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.787 -1.295 0.331 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.611 -1.855 -0.519 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -4.908 -1.386 -0.707 1.00 0.00 C ATOM 0 H TRP A 72 -0.605 -3.250 5.226 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.157 -2.520 2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.599 -4.042 3.705 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.900 -2.909 5.007 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.399 -2.249 4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.967 -1.401 2.933 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.168 -2.603 0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.793 -0.932 0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.939 -1.916 -1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.224 -1.088 -1.696 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.585 -0.186 4.804 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.704 1.234 5.004 1.00 0.00 C ATOM 1131 C ARG A 73 -0.594 1.971 4.250 1.00 0.00 C ATOM 1132 O ARG A 73 -0.865 2.882 3.477 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.648 1.545 6.491 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.607 3.014 6.829 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.526 3.200 8.317 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.468 4.602 8.694 1.00 0.00 N ATOM 1137 CZ ARG A 73 -0.825 5.072 9.756 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.009 4.276 10.462 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -0.947 6.351 10.081 1.00 0.00 N ATOM 0 H ARG A 73 -1.481 -0.721 5.666 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.662 1.575 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.518 1.100 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.767 1.064 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.747 3.481 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.497 3.509 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.393 2.735 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.643 2.687 8.698 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.956 5.273 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.121 3.303 10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.482 4.643 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.532 6.967 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.456 6.719 10.896 1.00 0.00 H new ATOM 1153 N LEU A 74 0.634 1.519 4.448 1.00 0.00 N ATOM 1154 CA LEU A 74 1.806 2.081 3.793 1.00 0.00 C ATOM 1155 C LEU A 74 1.673 2.071 2.286 1.00 0.00 C ATOM 1156 O LEU A 74 2.089 3.001 1.635 1.00 0.00 O ATOM 1157 CB LEU A 74 3.084 1.351 4.232 1.00 0.00 C ATOM 1158 CG LEU A 74 3.915 2.002 5.359 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.593 3.261 4.858 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.061 2.328 6.573 1.00 0.00 C ATOM 0 H LEU A 74 0.848 0.743 5.075 1.00 0.00 H new ATOM 0 HA LEU A 74 1.879 3.123 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.807 0.347 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.727 1.240 3.359 1.00 0.00 H new ATOM 0 HG LEU A 74 4.672 1.279 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.174 3.707 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.255 3.012 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.838 3.971 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.683 2.784 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.271 3.022 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.616 1.412 6.962 1.00 0.00 H new ATOM 1172 N ALA A 75 1.081 1.040 1.738 1.00 0.00 N ATOM 1173 CA ALA A 75 0.888 0.984 0.312 1.00 0.00 C ATOM 1174 C ALA A 75 -0.168 1.980 -0.145 1.00 0.00 C ATOM 1175 O ALA A 75 0.136 2.877 -0.920 1.00 0.00 O ATOM 1176 CB ALA A 75 0.530 -0.404 -0.134 1.00 0.00 C ATOM 0 H ALA A 75 0.727 0.234 2.253 1.00 0.00 H new ATOM 0 HA ALA A 75 1.835 1.258 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.391 -0.414 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.332 -1.091 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.393 -0.716 0.354 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.389 1.870 0.391 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.509 2.703 -0.079 1.00 0.00 C ATOM 1184 C LEU A 76 -2.243 4.184 0.140 1.00 0.00 C ATOM 1185 O LEU A 76 -2.461 5.004 -0.751 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.866 2.253 0.533 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.145 2.568 2.022 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.796 3.941 2.201 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.010 1.503 2.626 1.00 0.00 C ATOM 0 H LEU A 76 -1.628 1.222 1.141 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.588 2.553 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.662 2.707 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.947 1.174 0.402 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.185 2.587 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.975 4.123 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.134 4.712 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.744 3.967 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.198 1.738 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.957 1.456 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.504 0.540 2.555 1.00 0.00 H new ATOM 1201 N SER A 77 -1.709 4.506 1.289 1.00 0.00 N ATOM 1202 CA SER A 77 -1.427 5.861 1.655 1.00 0.00 C ATOM 1203 C SER A 77 -0.210 6.417 0.900 1.00 0.00 C ATOM 1204 O SER A 77 0.043 7.620 0.906 1.00 0.00 O ATOM 1205 CB SER A 77 -1.264 5.933 3.163 1.00 0.00 C ATOM 1206 OG SER A 77 -2.497 5.657 3.822 1.00 0.00 O ATOM 0 H SER A 77 -1.456 3.823 2.003 1.00 0.00 H new ATOM 0 HA SER A 77 -2.261 6.499 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.507 5.218 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.909 6.923 3.447 1.00 0.00 H new ATOM 0 HG SER A 77 -2.368 5.707 4.792 1.00 0.00 H new ATOM 1212 N THR A 78 0.527 5.550 0.232 1.00 0.00 N ATOM 1213 CA THR A 78 1.606 5.991 -0.593 1.00 0.00 C ATOM 1214 C THR A 78 1.153 6.032 -2.058 1.00 0.00 C ATOM 1215 O THR A 78 1.709 6.777 -2.864 1.00 0.00 O ATOM 1216 CB THR A 78 2.877 5.141 -0.380 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.240 5.221 1.010 1.00 0.00 O ATOM 1218 CG2 THR A 78 4.045 5.650 -1.210 1.00 0.00 C ATOM 0 H THR A 78 0.389 4.540 0.252 1.00 0.00 H new ATOM 0 HA THR A 78 1.883 7.004 -0.302 1.00 0.00 H new ATOM 0 HB THR A 78 2.663 4.117 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.811 4.491 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.919 5.024 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.783 5.613 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.271 6.678 -0.928 1.00 0.00 H new ATOM 1226 N PHE A 79 0.089 5.272 -2.382 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.505 5.315 -3.716 1.00 0.00 C ATOM 1228 C PHE A 79 -0.950 6.740 -3.999 1.00 0.00 C ATOM 1229 O PHE A 79 -0.613 7.312 -5.019 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.728 4.380 -3.859 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.468 2.905 -3.741 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.221 2.371 -4.007 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.491 2.050 -3.374 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.003 1.019 -3.900 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.279 0.694 -3.268 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.031 0.176 -3.530 1.00 0.00 C ATOM 0 H PHE A 79 -0.368 4.628 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 79 0.251 4.976 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.459 4.658 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.188 4.568 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.589 3.022 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.472 2.452 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.977 0.614 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.088 0.039 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.857 -0.887 -3.446 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.669 7.324 -3.050 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.135 8.702 -3.173 1.00 0.00 C ATOM 1248 C GLU A 80 -0.952 9.677 -3.304 1.00 0.00 C ATOM 1249 O GLU A 80 -1.032 10.667 -4.029 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.024 9.103 -1.989 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.375 8.893 -0.636 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.090 9.602 0.486 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.226 10.822 0.397 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.508 8.960 1.484 1.00 0.00 O ATOM 0 H GLU A 80 -1.944 6.864 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.734 8.760 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.297 10.153 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.949 8.528 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.342 7.825 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.343 9.242 -0.678 1.00 0.00 H new ATOM 1261 N ARG A 81 0.161 9.360 -2.636 1.00 0.00 N ATOM 1262 CA ARG A 81 1.353 10.207 -2.673 1.00 0.00 C ATOM 1263 C ARG A 81 1.920 10.246 -4.082 1.00 0.00 C ATOM 1264 O ARG A 81 2.282 11.300 -4.597 1.00 0.00 O ATOM 1265 CB ARG A 81 2.440 9.680 -1.742 1.00 0.00 C ATOM 1266 CG ARG A 81 2.100 9.614 -0.263 1.00 0.00 C ATOM 1267 CD ARG A 81 1.765 10.963 0.349 1.00 0.00 C ATOM 1268 NE ARG A 81 0.351 11.336 0.203 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.145 12.560 0.464 1.00 0.00 C ATOM 1270 NH1 ARG A 81 0.676 13.570 0.755 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.450 12.757 0.468 1.00 0.00 N ATOM 0 H ARG A 81 0.260 8.522 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 81 1.053 11.204 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.715 8.678 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.323 10.308 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.253 8.942 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.943 9.180 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.021 10.947 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.385 11.729 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.299 10.618 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.684 13.417 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.296 14.496 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.083 11.982 0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.825 13.685 0.666 1.00 0.00 H new ATOM 1285 N ILE A 82 1.941 9.084 -4.713 1.00 0.00 N ATOM 1286 CA ILE A 82 2.503 8.927 -6.038 1.00 0.00 C ATOM 1287 C ILE A 82 1.454 9.200 -7.123 1.00 0.00 C ATOM 1288 O ILE A 82 1.609 8.802 -8.270 1.00 0.00 O ATOM 1289 CB ILE A 82 3.170 7.528 -6.224 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.148 6.384 -6.100 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.263 7.360 -5.172 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.690 5.013 -6.434 1.00 0.00 C ATOM 0 H ILE A 82 1.567 8.222 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 82 3.291 9.672 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 82 3.593 7.480 -7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.762 6.369 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.304 6.596 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.737 6.386 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.010 8.144 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.824 7.430 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.900 4.271 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.048 5.004 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.513 4.773 -5.761 1.00 0.00 H new ATOM 1304 N ASN A 83 0.396 9.905 -6.729 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.694 10.356 -7.608 1.00 0.00 C ATOM 1306 C ASN A 83 -1.555 9.250 -8.118 1.00 0.00 C ATOM 1307 O ASN A 83 -2.390 9.415 -9.005 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.223 11.278 -8.716 1.00 0.00 C ATOM 1309 CG ASN A 83 0.356 12.543 -8.160 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.574 12.712 -8.062 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.500 13.369 -7.681 1.00 0.00 N ATOM 0 H ASN A 83 0.264 10.190 -5.759 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.338 10.954 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.526 10.769 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.059 11.516 -9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.183 14.208 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.498 13.187 -7.786 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.436 8.180 -7.483 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.194 7.023 -7.788 1.00 0.00 C ATOM 1320 C ARG A 84 -3.324 6.914 -6.789 1.00 0.00 C ATOM 1321 O ARG A 84 -3.358 6.059 -5.916 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.313 5.774 -7.830 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.079 4.472 -8.085 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.912 4.544 -9.342 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.085 4.564 -10.544 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.527 4.664 -11.803 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.755 5.100 -12.076 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.688 4.407 -12.780 1.00 0.00 N ATOM 0 H ARG A 84 -0.790 8.058 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.623 7.108 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.562 5.899 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.779 5.688 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.373 3.645 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.725 4.258 -7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.586 3.688 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.534 5.439 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.076 4.495 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.382 5.367 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.069 5.167 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.727 4.139 -12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.998 4.475 -13.749 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.245 7.806 -6.926 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.329 7.921 -6.041 1.00 0.00 C ATOM 1344 C LYS A 85 -6.354 6.863 -6.371 1.00 0.00 C ATOM 1345 O LYS A 85 -7.163 6.526 -5.572 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.959 9.284 -6.218 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.507 9.500 -7.621 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.483 10.639 -7.697 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.150 10.661 -9.061 1.00 0.00 C ATOM 1350 NZ LYS A 85 -8.770 9.343 -9.399 1.00 0.00 N ATOM 0 H LYS A 85 -4.255 8.490 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.985 7.795 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.766 9.403 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.218 10.053 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.679 9.691 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.995 8.586 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.237 10.536 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.968 11.583 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.915 11.437 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.414 10.922 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.633 9.499 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.097 8.774 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.012 8.838 -8.523 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.257 6.335 -7.566 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.225 5.399 -8.099 1.00 0.00 C ATOM 1366 C ASP A 86 -7.227 4.129 -7.296 1.00 0.00 C ATOM 1367 O ASP A 86 -8.260 3.680 -6.837 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.897 5.101 -9.548 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.546 6.355 -10.289 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.449 7.148 -10.637 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -5.345 6.594 -10.487 1.00 0.00 O ATOM 0 H ASP A 86 -5.493 6.544 -8.208 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.218 5.844 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.064 4.399 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.750 4.619 -10.026 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.047 3.590 -7.053 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.944 2.354 -6.271 1.00 0.00 C ATOM 1378 C LEU A 87 -6.128 2.669 -4.806 1.00 0.00 C ATOM 1379 O LEU A 87 -6.465 1.815 -4.015 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.608 1.646 -6.486 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.318 1.125 -7.892 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.958 0.460 -7.923 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.395 0.150 -8.350 1.00 0.00 C ATOM 0 H LEU A 87 -5.158 3.973 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.729 1.678 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.811 2.336 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.556 0.804 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.319 1.971 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.757 0.090 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.193 1.184 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.944 -0.373 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.162 -0.204 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.433 -0.698 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.362 0.653 -8.358 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.912 3.905 -4.479 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.106 4.418 -3.157 1.00 0.00 C ATOM 1397 C TRP A 88 -7.613 4.440 -2.837 1.00 0.00 C ATOM 1398 O TRP A 88 -8.038 3.968 -1.783 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.483 5.810 -3.109 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.756 6.594 -1.873 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.166 6.442 -0.672 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.684 7.675 -1.732 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.654 7.358 0.215 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.593 8.127 -0.410 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.582 8.299 -2.595 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.364 9.178 0.073 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.345 9.342 -2.122 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.235 9.772 -0.797 1.00 0.00 C ATOM 0 H TRP A 88 -5.586 4.606 -5.144 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.628 3.792 -2.403 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.404 5.710 -3.223 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.843 6.379 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.414 5.701 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.364 7.453 1.188 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.678 7.969 -3.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.278 9.512 1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.040 9.836 -2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.851 10.590 -0.453 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.395 4.968 -3.784 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.862 5.016 -3.721 1.00 0.00 C ATOM 1421 C GLU A 89 -10.447 3.606 -3.675 1.00 0.00 C ATOM 1422 O GLU A 89 -11.462 3.361 -3.012 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.443 5.753 -4.948 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.069 7.230 -5.066 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.646 7.887 -6.309 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.858 8.220 -6.313 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -9.919 8.090 -7.308 1.00 0.00 O ATOM 0 H GLU A 89 -8.018 5.384 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.131 5.555 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.111 5.239 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.530 5.673 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.423 7.761 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.983 7.325 -5.081 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.826 2.694 -4.405 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.263 1.297 -4.430 1.00 0.00 C ATOM 1436 C ARG A 90 -9.854 0.603 -3.142 1.00 0.00 C ATOM 1437 O ARG A 90 -10.571 -0.253 -2.621 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.646 0.544 -5.609 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.927 1.133 -6.971 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.350 0.263 -8.060 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.493 0.845 -9.394 1.00 0.00 N ATOM 1442 CZ ARG A 90 -9.213 0.200 -10.533 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -8.823 -1.082 -10.501 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -9.334 0.827 -11.695 1.00 0.00 N ATOM 0 H ARG A 90 -9.015 2.891 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.348 1.291 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.566 0.501 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.011 -0.483 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.003 1.236 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.500 2.134 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.293 0.090 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.842 -0.709 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.828 1.806 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.739 -1.567 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.610 -1.572 -11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.640 1.800 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.121 0.337 -12.564 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.690 0.977 -2.661 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.127 0.423 -1.466 1.00 0.00 C ATOM 1460 C GLY A 91 -8.856 0.834 -0.237 1.00 0.00 C ATOM 1461 O GLY A 91 -9.798 0.146 0.195 1.00 0.00 O ATOM 0 H GLY A 91 -8.104 1.686 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.132 -0.665 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.085 0.732 -1.384 1.00 0.00 H new