USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 481 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 21 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-6.6!) USER MOD Single : A 38 SER OG : rot 109:sc= -0.834 USER MOD Single : A 45 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.00051) USER MOD Single : A 46 MET CE :methyl 149:sc= -4.4! (180deg=-6.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.441 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.84) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 MET CE :methyl 176:sc= -1.02 (180deg=-1.08) USER MOD Single : A 65 SER OG : rot 180:sc= 0.298 USER MOD Single : A 69 MET CE :methyl 147:sc= -0.413 (180deg=-1.73!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00567 F(o=-2.7!,f=-0.0057) USER MOD Single : A 75 THR OG1 : rot -51:sc= 1.19 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -151:sc= -3.96! (180deg=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.124 5.657 -7.382 1.00 41.24 N ATOM 174 CA ALA A 15 -4.046 5.292 -5.973 1.00 55.22 C ATOM 175 C ALA A 15 -4.263 3.796 -5.779 1.00 63.11 C ATOM 176 O ALA A 15 -3.598 3.163 -4.959 1.00 34.22 O ATOM 177 CB ALA A 15 -5.066 6.083 -5.166 1.00 2.51 C ATOM 0 HA ALA A 15 -3.046 5.536 -5.616 1.00 55.22 H new ATOM 0 HB1 ALA A 15 -4.997 5.801 -4.115 1.00 2.51 H new ATOM 0 HB2 ALA A 15 -4.864 7.149 -5.269 1.00 2.51 H new ATOM 0 HB3 ALA A 15 -6.069 5.866 -5.535 1.00 2.51 H new ATOM 183 N LEU A 16 -5.196 3.234 -6.541 1.00 74.12 N ATOM 184 CA LEU A 16 -5.500 1.811 -6.453 1.00 72.34 C ATOM 185 C LEU A 16 -4.356 0.974 -7.015 1.00 64.31 C ATOM 186 O LEU A 16 -3.959 -0.030 -6.422 1.00 15.20 O ATOM 187 CB LEU A 16 -6.795 1.498 -7.208 1.00 34.34 C ATOM 188 CG LEU A 16 -7.595 0.299 -6.698 1.00 64.13 C ATOM 189 CD1 LEU A 16 -6.734 -0.955 -6.694 1.00 73.33 C ATOM 190 CD2 LEU A 16 -8.144 0.576 -5.306 1.00 63.52 C ATOM 0 H LEU A 16 -5.754 3.743 -7.226 1.00 74.12 H new ATOM 0 HA LEU A 16 -5.629 1.557 -5.401 1.00 72.34 H new ATOM 0 HB2 LEU A 16 -7.436 2.379 -7.171 1.00 34.34 H new ATOM 0 HB3 LEU A 16 -6.549 1.326 -8.256 1.00 34.34 H new ATOM 0 HG LEU A 16 -8.436 0.135 -7.372 1.00 64.13 H new ATOM 0 HD11 LEU A 16 -7.320 -1.798 -6.328 1.00 73.33 H new ATOM 0 HD12 LEU A 16 -6.391 -1.164 -7.707 1.00 73.33 H new ATOM 0 HD13 LEU A 16 -5.873 -0.803 -6.044 1.00 73.33 H new ATOM 0 HD21 LEU A 16 -8.710 -0.288 -4.960 1.00 63.52 H new ATOM 0 HD22 LEU A 16 -7.318 0.767 -4.621 1.00 63.52 H new ATOM 0 HD23 LEU A 16 -8.797 1.448 -5.339 1.00 63.52 H new ATOM 201 N GLU A 17 -3.829 1.394 -8.161 1.00 35.32 N ATOM 202 CA GLU A 17 -2.729 0.682 -8.801 1.00 40.20 C ATOM 203 C GLU A 17 -1.436 0.855 -8.009 1.00 43.12 C ATOM 204 O GLU A 17 -0.601 -0.051 -7.957 1.00 13.31 O ATOM 205 CB GLU A 17 -2.533 1.184 -10.233 1.00 70.30 C ATOM 206 CG GLU A 17 -1.790 2.507 -10.319 1.00 50.12 C ATOM 207 CD GLU A 17 -1.432 2.884 -11.744 1.00 54.44 C ATOM 208 OE1 GLU A 17 -0.468 2.306 -12.286 1.00 2.53 O ATOM 209 OE2 GLU A 17 -2.119 3.757 -12.316 1.00 55.44 O ATOM 0 H GLU A 17 -4.146 2.223 -8.665 1.00 35.32 H new ATOM 0 HA GLU A 17 -2.981 -0.378 -8.826 1.00 40.20 H new ATOM 0 HB2 GLU A 17 -1.985 0.432 -10.801 1.00 70.30 H new ATOM 0 HB3 GLU A 17 -3.508 1.293 -10.707 1.00 70.30 H new ATOM 0 HG2 GLU A 17 -2.405 3.294 -9.883 1.00 50.12 H new ATOM 0 HG3 GLU A 17 -0.879 2.447 -9.723 1.00 50.12 H new ATOM 214 N LEU A 18 -1.276 2.022 -7.396 1.00 74.53 N ATOM 215 CA LEU A 18 -0.085 2.314 -6.606 1.00 34.32 C ATOM 216 C LEU A 18 0.102 1.282 -5.498 1.00 64.13 C ATOM 217 O LEU A 18 1.174 0.694 -5.356 1.00 42.42 O ATOM 218 CB LEU A 18 -0.180 3.716 -6.001 1.00 51.11 C ATOM 219 CG LEU A 18 1.028 4.179 -5.186 1.00 50.32 C ATOM 220 CD1 LEU A 18 1.218 5.682 -5.323 1.00 3.24 C ATOM 221 CD2 LEU A 18 0.865 3.792 -3.724 1.00 72.22 C ATOM 0 H LEU A 18 -1.956 2.782 -7.431 1.00 74.53 H new ATOM 0 HA LEU A 18 0.779 2.269 -7.269 1.00 34.32 H new ATOM 0 HB2 LEU A 18 -0.342 4.429 -6.810 1.00 51.11 H new ATOM 0 HB3 LEU A 18 -1.061 3.755 -5.361 1.00 51.11 H new ATOM 0 HG LEU A 18 1.917 3.683 -5.575 1.00 50.32 H new ATOM 0 HD11 LEU A 18 2.082 5.994 -4.737 1.00 3.24 H new ATOM 0 HD12 LEU A 18 1.380 5.934 -6.371 1.00 3.24 H new ATOM 0 HD13 LEU A 18 0.328 6.196 -4.960 1.00 3.24 H new ATOM 0 HD21 LEU A 18 1.734 4.129 -3.159 1.00 72.22 H new ATOM 0 HD22 LEU A 18 -0.033 4.260 -3.322 1.00 72.22 H new ATOM 0 HD23 LEU A 18 0.777 2.709 -3.642 1.00 72.22 H new ATOM 232 N VAL A 19 -0.951 1.064 -4.716 1.00 33.03 N ATOM 233 CA VAL A 19 -0.905 0.100 -3.623 1.00 14.14 C ATOM 234 C VAL A 19 -0.673 -1.312 -4.146 1.00 32.50 C ATOM 235 O VAL A 19 0.267 -1.992 -3.731 1.00 44.22 O ATOM 236 CB VAL A 19 -2.206 0.124 -2.798 1.00 11.03 C ATOM 237 CG1 VAL A 19 -2.456 -1.231 -2.156 1.00 34.34 C ATOM 238 CG2 VAL A 19 -2.148 1.220 -1.744 1.00 43.52 C ATOM 0 H VAL A 19 -1.846 1.542 -4.819 1.00 33.03 H new ATOM 0 HA VAL A 19 -0.072 0.388 -2.981 1.00 14.14 H new ATOM 0 HB VAL A 19 -3.037 0.340 -3.469 1.00 11.03 H new ATOM 0 HG11 VAL A 19 -3.379 -1.195 -1.577 1.00 34.34 H new ATOM 0 HG12 VAL A 19 -2.544 -1.991 -2.933 1.00 34.34 H new ATOM 0 HG13 VAL A 19 -1.624 -1.480 -1.497 1.00 34.34 H new ATOM 0 HG21 VAL A 19 -3.075 1.223 -1.171 1.00 43.52 H new ATOM 0 HG22 VAL A 19 -1.308 1.037 -1.074 1.00 43.52 H new ATOM 0 HG23 VAL A 19 -2.020 2.187 -2.231 1.00 43.52 H new ATOM 248 N ARG A 20 -1.535 -1.749 -5.057 1.00 71.01 N ATOM 249 CA ARG A 20 -1.425 -3.082 -5.637 1.00 10.11 C ATOM 250 C ARG A 20 -0.045 -3.295 -6.253 1.00 54.43 C ATOM 251 O ARG A 20 0.532 -4.377 -6.150 1.00 43.11 O ATOM 252 CB ARG A 20 -2.506 -3.291 -6.698 1.00 75.15 C ATOM 253 CG ARG A 20 -3.774 -3.932 -6.157 1.00 71.24 C ATOM 254 CD ARG A 20 -4.977 -3.611 -7.029 1.00 70.25 C ATOM 255 NE ARG A 20 -5.360 -4.741 -7.872 1.00 71.52 N ATOM 256 CZ ARG A 20 -4.807 -4.997 -9.052 1.00 62.24 C ATOM 257 NH1 ARG A 20 -3.853 -4.209 -9.527 1.00 2.03 N ATOM 258 NH2 ARG A 20 -5.209 -6.045 -9.760 1.00 24.35 N ATOM 0 H ARG A 20 -2.318 -1.199 -5.410 1.00 71.01 H new ATOM 0 HA ARG A 20 -1.564 -3.810 -4.838 1.00 10.11 H new ATOM 0 HB2 ARG A 20 -2.757 -2.328 -7.143 1.00 75.15 H new ATOM 0 HB3 ARG A 20 -2.105 -3.916 -7.495 1.00 75.15 H new ATOM 0 HG2 ARG A 20 -3.642 -5.013 -6.102 1.00 71.24 H new ATOM 0 HG3 ARG A 20 -3.956 -3.581 -5.141 1.00 71.24 H new ATOM 0 HD2 ARG A 20 -5.819 -3.329 -6.396 1.00 70.25 H new ATOM 0 HD3 ARG A 20 -4.749 -2.750 -7.658 1.00 70.25 H new ATOM 0 HE ARG A 20 -6.092 -5.367 -7.536 1.00 71.52 H new ATOM 0 HH11 ARG A 20 -3.541 -3.403 -8.986 1.00 2.03 H new ATOM 0 HH12 ARG A 20 -3.431 -4.409 -10.434 1.00 2.03 H new ATOM 0 HH21 ARG A 20 -5.943 -6.654 -9.398 1.00 24.35 H new ATOM 0 HH22 ARG A 20 -4.784 -6.241 -10.666 1.00 24.35 H new ATOM 269 N HIS A 21 0.478 -2.254 -6.894 1.00 61.10 N ATOM 270 CA HIS A 21 1.790 -2.326 -7.527 1.00 62.02 C ATOM 271 C HIS A 21 2.877 -2.602 -6.493 1.00 10.24 C ATOM 272 O HIS A 21 3.599 -3.596 -6.585 1.00 64.03 O ATOM 273 CB HIS A 21 2.093 -1.025 -8.270 1.00 24.44 C ATOM 274 CG HIS A 21 3.301 -1.107 -9.152 1.00 53.23 C ATOM 275 ND1 HIS A 21 3.578 -2.197 -9.950 1.00 42.14 N ATOM 276 CD2 HIS A 21 4.306 -0.225 -9.361 1.00 11.03 C ATOM 277 CE1 HIS A 21 4.701 -1.983 -10.611 1.00 71.31 C ATOM 278 NE2 HIS A 21 5.163 -0.793 -10.271 1.00 4.21 N ATOM 0 H HIS A 21 0.013 -1.351 -6.989 1.00 61.10 H new ATOM 0 HA HIS A 21 1.777 -3.148 -8.242 1.00 62.02 H new ATOM 0 HB2 HIS A 21 1.229 -0.752 -8.876 1.00 24.44 H new ATOM 0 HB3 HIS A 21 2.238 -0.226 -7.543 1.00 24.44 H new ATOM 0 HD2 HIS A 21 4.414 0.745 -8.898 1.00 11.03 H new ATOM 0 HE1 HIS A 21 5.163 -2.664 -11.310 1.00 71.31 H new ATOM 0 HE2 HIS A 21 6.018 -0.365 -10.627 1.00 4.21 H new ATOM 285 N LEU A 22 2.991 -1.716 -5.510 1.00 51.24 N ATOM 286 CA LEU A 22 3.991 -1.863 -4.458 1.00 0.32 C ATOM 287 C LEU A 22 3.854 -3.213 -3.762 1.00 63.32 C ATOM 288 O LEU A 22 4.849 -3.882 -3.482 1.00 23.43 O ATOM 289 CB LEU A 22 3.854 -0.733 -3.436 1.00 21.54 C ATOM 290 CG LEU A 22 4.040 0.686 -3.975 1.00 60.13 C ATOM 291 CD1 LEU A 22 3.685 1.712 -2.910 1.00 41.12 C ATOM 292 CD2 LEU A 22 5.467 0.890 -4.460 1.00 5.32 C ATOM 0 H LEU A 22 2.403 -0.888 -5.419 1.00 51.24 H new ATOM 0 HA LEU A 22 4.978 -1.811 -4.918 1.00 0.32 H new ATOM 0 HB2 LEU A 22 2.866 -0.800 -2.980 1.00 21.54 H new ATOM 0 HB3 LEU A 22 4.583 -0.897 -2.643 1.00 21.54 H new ATOM 0 HG LEU A 22 3.367 0.823 -4.822 1.00 60.13 H new ATOM 0 HD11 LEU A 22 3.823 2.716 -3.311 1.00 41.12 H new ATOM 0 HD12 LEU A 22 2.645 1.581 -2.611 1.00 41.12 H new ATOM 0 HD13 LEU A 22 4.332 1.575 -2.043 1.00 41.12 H new ATOM 0 HD21 LEU A 22 5.580 1.905 -4.840 1.00 5.32 H new ATOM 0 HD22 LEU A 22 6.159 0.733 -3.632 1.00 5.32 H new ATOM 0 HD23 LEU A 22 5.686 0.178 -5.256 1.00 5.32 H new ATOM 303 N VAL A 23 2.616 -3.610 -3.488 1.00 52.33 N ATOM 304 CA VAL A 23 2.349 -4.882 -2.827 1.00 44.31 C ATOM 305 C VAL A 23 2.847 -6.052 -3.668 1.00 51.11 C ATOM 306 O VAL A 23 3.476 -6.975 -3.153 1.00 60.23 O ATOM 307 CB VAL A 23 0.844 -5.066 -2.551 1.00 2.12 C ATOM 308 CG1 VAL A 23 0.575 -6.440 -1.956 1.00 11.15 C ATOM 309 CG2 VAL A 23 0.334 -3.967 -1.631 1.00 50.00 C ATOM 0 H VAL A 23 1.781 -3.069 -3.714 1.00 52.33 H new ATOM 0 HA VAL A 23 2.885 -4.865 -1.878 1.00 44.31 H new ATOM 0 HB VAL A 23 0.306 -4.995 -3.496 1.00 2.12 H new ATOM 0 HG11 VAL A 23 -0.493 -6.552 -1.768 1.00 11.15 H new ATOM 0 HG12 VAL A 23 0.903 -7.210 -2.655 1.00 11.15 H new ATOM 0 HG13 VAL A 23 1.122 -6.544 -1.019 1.00 11.15 H new ATOM 0 HG21 VAL A 23 -0.730 -4.112 -1.446 1.00 50.00 H new ATOM 0 HG22 VAL A 23 0.875 -4.004 -0.685 1.00 50.00 H new ATOM 0 HG23 VAL A 23 0.492 -2.996 -2.101 1.00 50.00 H new ATOM 319 N ALA A 24 2.561 -6.006 -4.965 1.00 74.05 N ATOM 320 CA ALA A 24 2.982 -7.061 -5.878 1.00 63.54 C ATOM 321 C ALA A 24 4.503 -7.154 -5.946 1.00 11.30 C ATOM 322 O ALA A 24 5.072 -8.238 -5.828 1.00 33.44 O ATOM 323 CB ALA A 24 2.403 -6.822 -7.264 1.00 2.54 C ATOM 0 H ALA A 24 2.039 -5.249 -5.407 1.00 74.05 H new ATOM 0 HA ALA A 24 2.603 -8.009 -5.497 1.00 63.54 H new ATOM 0 HB1 ALA A 24 2.726 -7.618 -7.935 1.00 2.54 H new ATOM 0 HB2 ALA A 24 1.315 -6.814 -7.207 1.00 2.54 H new ATOM 0 HB3 ALA A 24 2.753 -5.862 -7.644 1.00 2.54 H new ATOM 329 N GLU A 25 5.152 -6.010 -6.138 1.00 2.10 N ATOM 330 CA GLU A 25 6.608 -5.964 -6.224 1.00 73.14 C ATOM 331 C GLU A 25 7.244 -6.518 -4.953 1.00 33.54 C ATOM 332 O GLU A 25 8.370 -7.016 -4.976 1.00 23.53 O ATOM 333 CB GLU A 25 7.081 -4.529 -6.462 1.00 34.41 C ATOM 334 CG GLU A 25 6.434 -3.866 -7.666 1.00 62.21 C ATOM 335 CD GLU A 25 6.468 -2.352 -7.587 1.00 22.04 C ATOM 336 OE1 GLU A 25 7.509 -1.762 -7.945 1.00 11.23 O ATOM 337 OE2 GLU A 25 5.454 -1.757 -7.168 1.00 71.55 O ATOM 0 H GLU A 25 4.694 -5.104 -6.237 1.00 2.10 H new ATOM 0 HA GLU A 25 6.918 -6.584 -7.065 1.00 73.14 H new ATOM 0 HB2 GLU A 25 6.870 -3.934 -5.573 1.00 34.41 H new ATOM 0 HB3 GLU A 25 8.163 -4.530 -6.596 1.00 34.41 H new ATOM 0 HG2 GLU A 25 6.945 -4.190 -8.573 1.00 62.21 H new ATOM 0 HG3 GLU A 25 5.399 -4.199 -7.747 1.00 62.21 H new ATOM 342 N ARG A 26 6.517 -6.426 -3.844 1.00 63.22 N ATOM 343 CA ARG A 26 7.011 -6.917 -2.564 1.00 33.04 C ATOM 344 C ARG A 26 6.874 -8.434 -2.472 1.00 32.34 C ATOM 345 O ARG A 26 7.519 -9.076 -1.644 1.00 31.04 O ATOM 346 CB ARG A 26 6.250 -6.255 -1.413 1.00 11.43 C ATOM 347 CG ARG A 26 6.747 -4.859 -1.078 1.00 14.14 C ATOM 348 CD ARG A 26 7.550 -4.848 0.214 1.00 54.52 C ATOM 349 NE ARG A 26 8.984 -4.971 -0.031 1.00 12.34 N ATOM 350 CZ ARG A 26 9.731 -3.993 -0.530 1.00 11.52 C ATOM 351 NH1 ARG A 26 9.182 -2.825 -0.835 1.00 32.21 N ATOM 352 NH2 ARG A 26 11.029 -4.181 -0.725 1.00 21.34 N ATOM 0 H ARG A 26 5.584 -6.016 -3.807 1.00 63.22 H new ATOM 0 HA ARG A 26 8.068 -6.661 -2.489 1.00 33.04 H new ATOM 0 HB2 ARG A 26 5.192 -6.203 -1.671 1.00 11.43 H new ATOM 0 HB3 ARG A 26 6.331 -6.883 -0.526 1.00 11.43 H new ATOM 0 HG2 ARG A 26 7.365 -4.486 -1.895 1.00 14.14 H new ATOM 0 HG3 ARG A 26 5.898 -4.182 -0.986 1.00 14.14 H new ATOM 0 HD2 ARG A 26 7.353 -3.923 0.755 1.00 54.52 H new ATOM 0 HD3 ARG A 26 7.220 -5.667 0.853 1.00 54.52 H new ATOM 0 HE ARG A 26 9.437 -5.857 0.193 1.00 12.34 H new ATOM 0 HH11 ARG A 26 8.184 -2.676 -0.686 1.00 32.21 H new ATOM 0 HH12 ARG A 26 9.758 -2.075 -1.218 1.00 32.21 H new ATOM 0 HH21 ARG A 26 11.455 -5.078 -0.492 1.00 21.34 H new ATOM 0 HH22 ARG A 26 11.601 -3.429 -1.108 1.00 21.34 H new ATOM 363 N ALA A 27 6.029 -8.999 -3.327 1.00 45.51 N ATOM 364 CA ALA A 27 5.809 -10.440 -3.345 1.00 12.02 C ATOM 365 C ALA A 27 6.587 -11.101 -4.476 1.00 43.42 C ATOM 366 O ALA A 27 6.448 -12.300 -4.719 1.00 3.34 O ATOM 367 CB ALA A 27 4.324 -10.745 -3.473 1.00 64.23 C ATOM 0 H ALA A 27 5.485 -8.481 -4.017 1.00 45.51 H new ATOM 0 HA ALA A 27 6.173 -10.850 -2.403 1.00 12.02 H new ATOM 0 HB1 ALA A 27 4.174 -11.825 -3.485 1.00 64.23 H new ATOM 0 HB2 ALA A 27 3.790 -10.314 -2.626 1.00 64.23 H new ATOM 0 HB3 ALA A 27 3.943 -10.315 -4.399 1.00 64.23 H new ATOM 373 N GLU A 28 7.405 -10.312 -5.167 1.00 74.31 N ATOM 374 CA GLU A 28 8.203 -10.822 -6.275 1.00 23.30 C ATOM 375 C GLU A 28 7.309 -11.317 -7.408 1.00 54.02 C ATOM 376 O GLU A 28 7.290 -12.507 -7.725 1.00 13.32 O ATOM 377 CB GLU A 28 9.113 -11.956 -5.796 1.00 5.11 C ATOM 378 CG GLU A 28 10.316 -12.190 -6.695 1.00 25.00 C ATOM 379 CD GLU A 28 11.525 -11.376 -6.276 1.00 64.23 C ATOM 380 OE1 GLU A 28 12.299 -11.858 -5.424 1.00 2.11 O ATOM 381 OE2 GLU A 28 11.695 -10.256 -6.802 1.00 25.41 O ATOM 0 H GLU A 28 7.532 -9.318 -4.978 1.00 74.31 H new ATOM 0 HA GLU A 28 8.818 -10.005 -6.652 1.00 23.30 H new ATOM 0 HB2 GLU A 28 9.461 -11.730 -4.788 1.00 5.11 H new ATOM 0 HB3 GLU A 28 8.532 -12.876 -5.734 1.00 5.11 H new ATOM 0 HG2 GLU A 28 10.574 -13.249 -6.682 1.00 25.00 H new ATOM 0 HG3 GLU A 28 10.052 -11.938 -7.722 1.00 25.00 H new ATOM 386 N LEU A 29 6.569 -10.395 -8.015 1.00 74.20 N ATOM 387 CA LEU A 29 5.671 -10.736 -9.112 1.00 64.24 C ATOM 388 C LEU A 29 5.627 -9.617 -10.148 1.00 33.33 C ATOM 389 O LEU A 29 5.971 -8.468 -9.870 1.00 51.12 O ATOM 390 CB LEU A 29 4.263 -11.009 -8.579 1.00 5.41 C ATOM 391 CG LEU A 29 4.036 -12.387 -7.956 1.00 14.54 C ATOM 392 CD1 LEU A 29 2.680 -12.446 -7.271 1.00 54.54 C ATOM 393 CD2 LEU A 29 4.150 -13.475 -9.013 1.00 42.14 C ATOM 0 H LEU A 29 6.574 -9.406 -7.766 1.00 74.20 H new ATOM 0 HA LEU A 29 6.051 -11.637 -9.593 1.00 64.24 H new ATOM 0 HB2 LEU A 29 4.026 -10.251 -7.832 1.00 5.41 H new ATOM 0 HB3 LEU A 29 3.555 -10.882 -9.398 1.00 5.41 H new ATOM 0 HG LEU A 29 4.807 -12.557 -7.204 1.00 14.54 H new ATOM 0 HD11 LEU A 29 2.536 -13.434 -6.834 1.00 54.54 H new ATOM 0 HD12 LEU A 29 2.636 -11.691 -6.486 1.00 54.54 H new ATOM 0 HD13 LEU A 29 1.894 -12.255 -8.002 1.00 54.54 H new ATOM 0 HD21 LEU A 29 3.986 -14.449 -8.552 1.00 42.14 H new ATOM 0 HD22 LEU A 29 3.401 -13.309 -9.788 1.00 42.14 H new ATOM 0 HD23 LEU A 29 5.145 -13.447 -9.458 1.00 42.14 H new ATOM 404 N PRO A 30 5.193 -9.958 -11.370 1.00 50.24 N ATOM 405 CA PRO A 30 5.091 -8.996 -12.471 1.00 20.24 C ATOM 406 C PRO A 30 3.976 -7.980 -12.251 1.00 2.31 C ATOM 407 O PRO A 30 3.715 -7.135 -13.108 1.00 73.14 O ATOM 408 CB PRO A 30 4.781 -9.876 -13.684 1.00 33.12 C ATOM 409 CG PRO A 30 4.129 -11.090 -13.115 1.00 13.23 C ATOM 410 CD PRO A 30 4.767 -11.309 -11.771 1.00 62.21 C ATOM 0 HA PRO A 30 5.999 -8.403 -12.579 1.00 20.24 H new ATOM 0 HB2 PRO A 30 4.122 -9.365 -14.386 1.00 33.12 H new ATOM 0 HB3 PRO A 30 5.689 -10.133 -14.229 1.00 33.12 H new ATOM 0 HG2 PRO A 30 3.053 -10.946 -13.018 1.00 13.23 H new ATOM 0 HG3 PRO A 30 4.278 -11.953 -13.763 1.00 13.23 H new ATOM 0 HD2 PRO A 30 4.063 -11.737 -11.057 1.00 62.21 H new ATOM 0 HD3 PRO A 30 5.612 -11.994 -11.835 1.00 62.21 H new ATOM 415 N VAL A 31 3.322 -8.066 -11.098 1.00 54.14 N ATOM 416 CA VAL A 31 2.235 -7.152 -10.765 1.00 74.44 C ATOM 417 C VAL A 31 0.959 -7.522 -11.512 1.00 15.51 C ATOM 418 O VAL A 31 -0.131 -7.515 -10.939 1.00 24.34 O ATOM 419 CB VAL A 31 2.607 -5.694 -11.095 1.00 33.20 C ATOM 420 CG1 VAL A 31 1.468 -4.756 -10.723 1.00 31.24 C ATOM 421 CG2 VAL A 31 3.890 -5.298 -10.380 1.00 52.13 C ATOM 0 H VAL A 31 3.525 -8.759 -10.378 1.00 54.14 H new ATOM 0 HA VAL A 31 2.063 -7.241 -9.692 1.00 74.44 H new ATOM 0 HB VAL A 31 2.776 -5.613 -12.169 1.00 33.20 H new ATOM 0 HG11 VAL A 31 1.748 -3.730 -10.963 1.00 31.24 H new ATOM 0 HG12 VAL A 31 0.574 -5.029 -11.284 1.00 31.24 H new ATOM 0 HG13 VAL A 31 1.265 -4.836 -9.655 1.00 31.24 H new ATOM 0 HG21 VAL A 31 4.139 -4.265 -10.624 1.00 52.13 H new ATOM 0 HG22 VAL A 31 3.751 -5.393 -9.303 1.00 52.13 H new ATOM 0 HG23 VAL A 31 4.701 -5.952 -10.700 1.00 52.13 H new ATOM 431 N GLU A 32 1.101 -7.842 -12.794 1.00 33.32 N ATOM 432 CA GLU A 32 -0.042 -8.213 -13.620 1.00 33.23 C ATOM 433 C GLU A 32 -0.771 -9.416 -13.030 1.00 51.03 C ATOM 434 O GLU A 32 -1.929 -9.678 -13.358 1.00 23.32 O ATOM 435 CB GLU A 32 0.412 -8.527 -15.047 1.00 71.02 C ATOM 436 CG GLU A 32 1.202 -9.820 -15.164 1.00 34.21 C ATOM 437 CD GLU A 32 0.440 -10.905 -15.900 1.00 23.12 C ATOM 438 OE1 GLU A 32 -0.684 -11.238 -15.470 1.00 62.02 O ATOM 439 OE2 GLU A 32 0.969 -11.421 -16.907 1.00 33.02 O ATOM 0 H GLU A 32 1.996 -7.852 -13.283 1.00 33.32 H new ATOM 0 HA GLU A 32 -0.730 -7.368 -13.644 1.00 33.23 H new ATOM 0 HB2 GLU A 32 -0.464 -8.587 -15.693 1.00 71.02 H new ATOM 0 HB3 GLU A 32 1.024 -7.703 -15.414 1.00 71.02 H new ATOM 0 HG2 GLU A 32 2.139 -9.623 -15.684 1.00 34.21 H new ATOM 0 HG3 GLU A 32 1.460 -10.175 -14.166 1.00 34.21 H new ATOM 444 N VAL A 33 -0.085 -10.147 -12.156 1.00 52.43 N ATOM 445 CA VAL A 33 -0.667 -11.322 -11.518 1.00 5.01 C ATOM 446 C VAL A 33 -1.330 -10.959 -10.195 1.00 22.04 C ATOM 447 O VAL A 33 -2.040 -11.770 -9.600 1.00 22.12 O ATOM 448 CB VAL A 33 0.396 -12.408 -11.267 1.00 11.25 C ATOM 449 CG1 VAL A 33 1.209 -12.663 -12.527 1.00 2.41 C ATOM 450 CG2 VAL A 33 1.302 -12.008 -10.111 1.00 42.13 C ATOM 0 H VAL A 33 0.874 -9.946 -11.874 1.00 52.43 H new ATOM 0 HA VAL A 33 -1.421 -11.712 -12.202 1.00 5.01 H new ATOM 0 HB VAL A 33 -0.113 -13.334 -10.999 1.00 11.25 H new ATOM 0 HG11 VAL A 33 1.955 -13.433 -12.329 1.00 2.41 H new ATOM 0 HG12 VAL A 33 0.547 -12.996 -13.326 1.00 2.41 H new ATOM 0 HG13 VAL A 33 1.709 -11.743 -12.830 1.00 2.41 H new ATOM 0 HG21 VAL A 33 2.047 -12.786 -9.947 1.00 42.13 H new ATOM 0 HG22 VAL A 33 1.803 -11.070 -10.349 1.00 42.13 H new ATOM 0 HG23 VAL A 33 0.705 -11.881 -9.208 1.00 42.13 H new ATOM 460 N LEU A 34 -1.094 -9.734 -9.738 1.00 3.22 N ATOM 461 CA LEU A 34 -1.668 -9.261 -8.484 1.00 0.33 C ATOM 462 C LEU A 34 -3.182 -9.112 -8.600 1.00 41.00 C ATOM 463 O LEU A 34 -3.678 -8.364 -9.442 1.00 42.45 O ATOM 464 CB LEU A 34 -1.042 -7.924 -8.084 1.00 4.41 C ATOM 465 CG LEU A 34 -1.002 -7.622 -6.587 1.00 11.33 C ATOM 466 CD1 LEU A 34 -2.410 -7.474 -6.034 1.00 42.34 C ATOM 467 CD2 LEU A 34 -0.246 -8.713 -5.842 1.00 41.02 C ATOM 0 H LEU A 34 -0.509 -9.050 -10.218 1.00 3.22 H new ATOM 0 HA LEU A 34 -1.452 -10.001 -7.713 1.00 0.33 H new ATOM 0 HB2 LEU A 34 -0.022 -7.894 -8.467 1.00 4.41 H new ATOM 0 HB3 LEU A 34 -1.593 -7.125 -8.581 1.00 4.41 H new ATOM 0 HG LEU A 34 -0.476 -6.679 -6.441 1.00 11.33 H new ATOM 0 HD11 LEU A 34 -2.361 -7.259 -4.967 1.00 42.34 H new ATOM 0 HD12 LEU A 34 -2.918 -6.656 -6.546 1.00 42.34 H new ATOM 0 HD13 LEU A 34 -2.962 -8.400 -6.193 1.00 42.34 H new ATOM 0 HD21 LEU A 34 -0.228 -8.481 -4.777 1.00 41.02 H new ATOM 0 HD22 LEU A 34 -0.743 -9.671 -5.996 1.00 41.02 H new ATOM 0 HD23 LEU A 34 0.775 -8.770 -6.218 1.00 41.02 H new ATOM 478 N ARG A 35 -3.909 -9.827 -7.749 1.00 30.43 N ATOM 479 CA ARG A 35 -5.366 -9.774 -7.755 1.00 44.41 C ATOM 480 C ARG A 35 -5.875 -8.706 -6.791 1.00 24.31 C ATOM 481 O ARG A 35 -5.185 -8.332 -5.842 1.00 42.22 O ATOM 482 CB ARG A 35 -5.949 -11.136 -7.379 1.00 73.45 C ATOM 483 CG ARG A 35 -6.987 -11.649 -8.364 1.00 42.02 C ATOM 484 CD ARG A 35 -6.491 -12.882 -9.103 1.00 5.40 C ATOM 485 NE ARG A 35 -5.903 -12.544 -10.398 1.00 33.13 N ATOM 486 CZ ARG A 35 -5.699 -13.429 -11.366 1.00 50.32 C ATOM 487 NH1 ARG A 35 -6.036 -14.699 -11.189 1.00 23.00 N ATOM 488 NH2 ARG A 35 -5.159 -13.045 -12.515 1.00 0.25 N ATOM 0 H ARG A 35 -3.513 -10.451 -7.046 1.00 30.43 H new ATOM 0 HA ARG A 35 -5.691 -9.514 -8.762 1.00 44.41 H new ATOM 0 HB2 ARG A 35 -5.138 -11.861 -7.308 1.00 73.45 H new ATOM 0 HB3 ARG A 35 -6.402 -11.067 -6.390 1.00 73.45 H new ATOM 0 HG2 ARG A 35 -7.908 -11.888 -7.832 1.00 42.02 H new ATOM 0 HG3 ARG A 35 -7.228 -10.865 -9.082 1.00 42.02 H new ATOM 0 HD2 ARG A 35 -5.750 -13.398 -8.492 1.00 5.40 H new ATOM 0 HD3 ARG A 35 -7.320 -13.574 -9.251 1.00 5.40 H new ATOM 0 HE ARG A 35 -5.635 -11.575 -10.567 1.00 33.13 H new ATOM 0 HH11 ARG A 35 -6.453 -14.998 -10.307 1.00 23.00 H new ATOM 0 HH12 ARG A 35 -5.878 -15.377 -11.934 1.00 23.00 H new ATOM 0 HH21 ARG A 35 -4.900 -12.069 -12.656 1.00 0.25 H new ATOM 0 HH22 ARG A 35 -5.003 -13.726 -13.258 1.00 0.25 H new ATOM 499 N ASP A 36 -7.085 -8.220 -7.040 1.00 65.14 N ATOM 500 CA ASP A 36 -7.688 -7.197 -6.195 1.00 14.53 C ATOM 501 C ASP A 36 -8.166 -7.794 -4.875 1.00 53.40 C ATOM 502 O ASP A 36 -8.448 -7.069 -3.920 1.00 42.41 O ATOM 503 CB ASP A 36 -8.858 -6.528 -6.920 1.00 22.43 C ATOM 504 CG ASP A 36 -8.495 -6.097 -8.328 1.00 13.24 C ATOM 505 OD1 ASP A 36 -8.603 -6.930 -9.250 1.00 42.14 O ATOM 506 OD2 ASP A 36 -8.102 -4.923 -8.506 1.00 64.45 O ATOM 0 H ASP A 36 -7.669 -8.518 -7.821 1.00 65.14 H new ATOM 0 HA ASP A 36 -6.928 -6.446 -5.980 1.00 14.53 H new ATOM 0 HB2 ASP A 36 -9.700 -7.219 -6.960 1.00 22.43 H new ATOM 0 HB3 ASP A 36 -9.186 -5.659 -6.350 1.00 22.43 H new ATOM 510 N ASP A 37 -8.256 -9.118 -4.830 1.00 70.22 N ATOM 511 CA ASP A 37 -8.701 -9.813 -3.627 1.00 23.53 C ATOM 512 C ASP A 37 -7.549 -10.582 -2.987 1.00 70.13 C ATOM 513 O ASP A 37 -7.766 -11.493 -2.188 1.00 12.33 O ATOM 514 CB ASP A 37 -9.847 -10.770 -3.960 1.00 32.41 C ATOM 515 CG ASP A 37 -11.011 -10.068 -4.630 1.00 61.32 C ATOM 516 OD1 ASP A 37 -11.590 -9.154 -4.006 1.00 45.44 O ATOM 517 OD2 ASP A 37 -11.344 -10.433 -5.778 1.00 33.13 O ATOM 0 H ASP A 37 -8.027 -9.732 -5.612 1.00 70.22 H new ATOM 0 HA ASP A 37 -9.056 -9.067 -2.916 1.00 23.53 H new ATOM 0 HB2 ASP A 37 -9.478 -11.560 -4.614 1.00 32.41 H new ATOM 0 HB3 ASP A 37 -10.194 -11.249 -3.045 1.00 32.41 H new ATOM 521 N SER A 38 -6.325 -10.209 -3.345 1.00 22.31 N ATOM 522 CA SER A 38 -5.138 -10.867 -2.809 1.00 11.13 C ATOM 523 C SER A 38 -4.825 -10.362 -1.404 1.00 73.10 C ATOM 524 O SER A 38 -4.395 -9.223 -1.224 1.00 34.43 O ATOM 525 CB SER A 38 -3.939 -10.629 -3.728 1.00 4.23 C ATOM 526 OG SER A 38 -4.335 -10.606 -5.089 1.00 23.41 O ATOM 0 H SER A 38 -6.129 -9.455 -4.003 1.00 22.31 H new ATOM 0 HA SER A 38 -5.339 -11.937 -2.755 1.00 11.13 H new ATOM 0 HB2 SER A 38 -3.461 -9.684 -3.469 1.00 4.23 H new ATOM 0 HB3 SER A 38 -3.198 -11.414 -3.575 1.00 4.23 H new ATOM 0 HG SER A 38 -4.270 -9.691 -5.433 1.00 23.41 H new ATOM 531 N ARG A 39 -5.045 -11.218 -0.412 1.00 63.42 N ATOM 532 CA ARG A 39 -4.788 -10.860 0.977 1.00 73.53 C ATOM 533 C ARG A 39 -3.297 -10.637 1.215 1.00 50.14 C ATOM 534 O ARG A 39 -2.456 -11.153 0.478 1.00 52.41 O ATOM 535 CB ARG A 39 -5.306 -11.954 1.913 1.00 33.30 C ATOM 536 CG ARG A 39 -6.741 -12.368 1.630 1.00 22.32 C ATOM 537 CD ARG A 39 -7.516 -12.610 2.916 1.00 22.43 C ATOM 538 NE ARG A 39 -8.383 -11.484 3.251 1.00 14.02 N ATOM 539 CZ ARG A 39 -9.359 -11.551 4.150 1.00 3.22 C ATOM 540 NH1 ARG A 39 -9.590 -12.683 4.799 1.00 52.14 N ATOM 541 NH2 ARG A 39 -10.106 -10.483 4.401 1.00 14.23 N ATOM 0 H ARG A 39 -5.401 -12.165 -0.545 1.00 63.42 H new ATOM 0 HA ARG A 39 -5.316 -9.930 1.189 1.00 73.53 H new ATOM 0 HB2 ARG A 39 -4.661 -12.829 1.828 1.00 33.30 H new ATOM 0 HB3 ARG A 39 -5.234 -11.604 2.943 1.00 33.30 H new ATOM 0 HG2 ARG A 39 -7.236 -11.592 1.046 1.00 22.32 H new ATOM 0 HG3 ARG A 39 -6.747 -13.274 1.025 1.00 22.32 H new ATOM 0 HD2 ARG A 39 -8.118 -13.513 2.812 1.00 22.43 H new ATOM 0 HD3 ARG A 39 -6.817 -12.785 3.734 1.00 22.43 H new ATOM 0 HE ARG A 39 -8.231 -10.598 2.769 1.00 14.02 H new ATOM 0 HH11 ARG A 39 -9.018 -13.506 4.609 1.00 52.14 H new ATOM 0 HH12 ARG A 39 -10.340 -12.732 5.489 1.00 52.14 H new ATOM 0 HH21 ARG A 39 -9.931 -9.610 3.904 1.00 14.23 H new ATOM 0 HH22 ARG A 39 -10.855 -10.535 5.091 1.00 14.23 H new ATOM 552 N PHE A 40 -2.977 -9.865 2.248 1.00 1.10 N ATOM 553 CA PHE A 40 -1.587 -9.573 2.582 1.00 52.24 C ATOM 554 C PHE A 40 -0.977 -10.702 3.407 1.00 74.31 C ATOM 555 O PHE A 40 -0.011 -10.496 4.143 1.00 74.23 O ATOM 556 CB PHE A 40 -1.492 -8.254 3.352 1.00 53.12 C ATOM 557 CG PHE A 40 -2.163 -7.104 2.657 1.00 43.11 C ATOM 558 CD1 PHE A 40 -1.615 -6.558 1.508 1.00 43.43 C ATOM 559 CD2 PHE A 40 -3.342 -6.570 3.152 1.00 23.14 C ATOM 560 CE1 PHE A 40 -2.230 -5.499 0.865 1.00 24.33 C ATOM 561 CE2 PHE A 40 -3.961 -5.512 2.513 1.00 53.12 C ATOM 562 CZ PHE A 40 -3.403 -4.976 1.369 1.00 42.54 C ATOM 0 H PHE A 40 -3.660 -9.430 2.868 1.00 1.10 H new ATOM 0 HA PHE A 40 -1.027 -9.484 1.651 1.00 52.24 H new ATOM 0 HB2 PHE A 40 -1.940 -8.384 4.337 1.00 53.12 H new ATOM 0 HB3 PHE A 40 -0.442 -8.010 3.510 1.00 53.12 H new ATOM 0 HD1 PHE A 40 -0.697 -6.964 1.110 1.00 43.43 H new ATOM 0 HD2 PHE A 40 -3.782 -6.985 4.047 1.00 23.14 H new ATOM 0 HE1 PHE A 40 -1.793 -5.082 -0.030 1.00 24.33 H new ATOM 0 HE2 PHE A 40 -4.880 -5.105 2.908 1.00 53.12 H new ATOM 0 HZ PHE A 40 -3.884 -4.148 0.869 1.00 42.54 H new ATOM 571 N LEU A 41 -1.547 -11.895 3.279 1.00 12.45 N ATOM 572 CA LEU A 41 -1.061 -13.057 4.014 1.00 65.24 C ATOM 573 C LEU A 41 -1.455 -14.351 3.307 1.00 73.35 C ATOM 574 O LEU A 41 -0.672 -15.300 3.245 1.00 14.42 O ATOM 575 CB LEU A 41 -1.613 -13.053 5.440 1.00 52.25 C ATOM 576 CG LEU A 41 -0.781 -12.301 6.479 1.00 75.33 C ATOM 577 CD1 LEU A 41 -1.500 -12.274 7.820 1.00 62.40 C ATOM 578 CD2 LEU A 41 0.594 -12.936 6.622 1.00 62.12 C ATOM 0 H LEU A 41 -2.346 -12.083 2.673 1.00 12.45 H new ATOM 0 HA LEU A 41 0.027 -13.002 4.054 1.00 65.24 H new ATOM 0 HB2 LEU A 41 -2.612 -12.618 5.420 1.00 52.25 H new ATOM 0 HB3 LEU A 41 -1.721 -14.086 5.769 1.00 52.25 H new ATOM 0 HG LEU A 41 -0.651 -11.274 6.138 1.00 75.33 H new ATOM 0 HD11 LEU A 41 -0.893 -11.735 8.547 1.00 62.40 H new ATOM 0 HD12 LEU A 41 -2.462 -11.773 7.707 1.00 62.40 H new ATOM 0 HD13 LEU A 41 -1.661 -13.295 8.167 1.00 62.40 H new ATOM 0 HD21 LEU A 41 1.172 -12.388 7.366 1.00 62.12 H new ATOM 0 HD22 LEU A 41 0.485 -13.973 6.940 1.00 62.12 H new ATOM 0 HD23 LEU A 41 1.112 -12.903 5.663 1.00 62.12 H new ATOM 589 N ASP A 42 -2.672 -14.382 2.776 1.00 11.34 N ATOM 590 CA ASP A 42 -3.169 -15.558 2.071 1.00 4.44 C ATOM 591 C ASP A 42 -2.374 -15.800 0.792 1.00 64.14 C ATOM 592 O ASP A 42 -1.797 -16.872 0.602 1.00 12.31 O ATOM 593 CB ASP A 42 -4.653 -15.390 1.740 1.00 30.31 C ATOM 594 CG ASP A 42 -5.385 -16.716 1.678 1.00 42.42 C ATOM 595 OD1 ASP A 42 -5.266 -17.412 0.648 1.00 72.21 O ATOM 596 OD2 ASP A 42 -6.079 -17.057 2.659 1.00 61.42 O ATOM 0 H ASP A 42 -3.333 -13.606 2.820 1.00 11.34 H new ATOM 0 HA ASP A 42 -3.046 -16.423 2.723 1.00 4.44 H new ATOM 0 HB2 ASP A 42 -5.121 -14.755 2.492 1.00 30.31 H new ATOM 0 HB3 ASP A 42 -4.753 -14.878 0.783 1.00 30.31 H new ATOM 600 N ASP A 43 -2.349 -14.801 -0.082 1.00 43.22 N ATOM 601 CA ASP A 43 -1.625 -14.906 -1.343 1.00 5.31 C ATOM 602 C ASP A 43 -0.299 -14.156 -1.274 1.00 31.05 C ATOM 603 O ASP A 43 0.764 -14.728 -1.519 1.00 51.51 O ATOM 604 CB ASP A 43 -2.475 -14.358 -2.491 1.00 51.44 C ATOM 605 CG ASP A 43 -2.976 -15.451 -3.414 1.00 44.14 C ATOM 606 OD1 ASP A 43 -2.138 -16.099 -4.075 1.00 44.24 O ATOM 607 OD2 ASP A 43 -4.207 -15.659 -3.475 1.00 31.14 O ATOM 0 H ASP A 43 -2.822 -13.908 0.059 1.00 43.22 H new ATOM 0 HA ASP A 43 -1.416 -15.960 -1.526 1.00 5.31 H new ATOM 0 HB2 ASP A 43 -3.326 -13.814 -2.081 1.00 51.44 H new ATOM 0 HB3 ASP A 43 -1.886 -13.643 -3.066 1.00 51.44 H new ATOM 611 N LEU A 44 -0.369 -12.873 -0.937 1.00 4.44 N ATOM 612 CA LEU A 44 0.827 -12.042 -0.836 1.00 34.41 C ATOM 613 C LEU A 44 1.762 -12.565 0.251 1.00 52.11 C ATOM 614 O LEU A 44 2.974 -12.357 0.194 1.00 21.54 O ATOM 615 CB LEU A 44 0.441 -10.592 -0.538 1.00 71.12 C ATOM 616 CG LEU A 44 -0.662 -9.998 -1.414 1.00 0.10 C ATOM 617 CD1 LEU A 44 -1.206 -8.719 -0.794 1.00 64.32 C ATOM 618 CD2 LEU A 44 -0.142 -9.733 -2.819 1.00 53.42 C ATOM 0 H LEU A 44 -1.240 -12.385 -0.729 1.00 4.44 H new ATOM 0 HA LEU A 44 1.350 -12.083 -1.791 1.00 34.41 H new ATOM 0 HB2 LEU A 44 0.125 -10.528 0.503 1.00 71.12 H new ATOM 0 HB3 LEU A 44 1.332 -9.972 -0.639 1.00 71.12 H new ATOM 0 HG LEU A 44 -1.476 -10.720 -1.480 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -1.990 -8.311 -1.432 1.00 64.32 H new ATOM 0 HD12 LEU A 44 -1.617 -8.939 0.191 1.00 64.32 H new ATOM 0 HD13 LEU A 44 -0.401 -7.991 -0.697 1.00 64.32 H new ATOM 0 HD21 LEU A 44 -0.940 -9.310 -3.429 1.00 53.42 H new ATOM 0 HD22 LEU A 44 0.690 -9.030 -2.773 1.00 53.42 H new ATOM 0 HD23 LEU A 44 0.198 -10.668 -3.264 1.00 53.42 H new ATOM 629 N HIS A 45 1.190 -13.245 1.239 1.00 35.40 N ATOM 630 CA HIS A 45 1.972 -13.800 2.338 1.00 63.25 C ATOM 631 C HIS A 45 2.919 -12.752 2.915 1.00 63.31 C ATOM 632 O HIS A 45 4.138 -12.867 2.789 1.00 61.31 O ATOM 633 CB HIS A 45 2.768 -15.017 1.862 1.00 52.52 C ATOM 634 CG HIS A 45 3.239 -15.899 2.978 1.00 5.53 C ATOM 635 ND1 HIS A 45 2.878 -17.224 3.092 1.00 71.25 N ATOM 636 CD2 HIS A 45 4.048 -15.638 4.031 1.00 3.41 C ATOM 637 CE1 HIS A 45 3.443 -17.740 4.169 1.00 32.55 C ATOM 638 NE2 HIS A 45 4.160 -16.799 4.756 1.00 41.31 N ATOM 0 H HIS A 45 0.188 -13.425 1.301 1.00 35.40 H new ATOM 0 HA HIS A 45 1.281 -14.111 3.122 1.00 63.25 H new ATOM 0 HB2 HIS A 45 2.148 -15.603 1.183 1.00 52.52 H new ATOM 0 HB3 HIS A 45 3.631 -14.675 1.291 1.00 52.52 H new ATOM 0 HD2 HIS A 45 4.518 -14.693 4.259 1.00 3.41 H new ATOM 0 HE1 HIS A 45 3.337 -18.759 4.511 1.00 32.55 H new ATOM 0 HE2 HIS A 45 4.708 -16.915 5.609 1.00 41.31 H new ATOM 645 N MET A 46 2.350 -11.731 3.546 1.00 35.20 N ATOM 646 CA MET A 46 3.144 -10.664 4.143 1.00 2.53 C ATOM 647 C MET A 46 2.753 -10.444 5.600 1.00 41.30 C ATOM 648 O MET A 46 1.692 -9.892 5.892 1.00 63.11 O ATOM 649 CB MET A 46 2.966 -9.365 3.354 1.00 44.32 C ATOM 650 CG MET A 46 2.999 -9.560 1.846 1.00 23.44 C ATOM 651 SD MET A 46 4.364 -8.680 1.062 1.00 1.20 S ATOM 652 CE MET A 46 3.485 -7.723 -0.171 1.00 32.13 C ATOM 0 H MET A 46 1.342 -11.620 3.657 1.00 35.20 H new ATOM 0 HA MET A 46 4.192 -10.962 4.108 1.00 2.53 H new ATOM 0 HB2 MET A 46 2.016 -8.908 3.632 1.00 44.32 H new ATOM 0 HB3 MET A 46 3.752 -8.666 3.639 1.00 44.32 H new ATOM 0 HG2 MET A 46 3.082 -10.624 1.623 1.00 23.44 H new ATOM 0 HG3 MET A 46 2.057 -9.217 1.418 1.00 23.44 H new ATOM 0 HE1 MET A 46 4.012 -6.786 -0.348 1.00 32.13 H new ATOM 0 HE2 MET A 46 3.430 -8.290 -1.100 1.00 32.13 H new ATOM 0 HE3 MET A 46 2.477 -7.510 0.184 1.00 32.13 H new ATOM 660 N SER A 47 3.616 -10.879 6.512 1.00 31.34 N ATOM 661 CA SER A 47 3.359 -10.733 7.940 1.00 65.23 C ATOM 662 C SER A 47 3.103 -9.273 8.299 1.00 11.05 C ATOM 663 O SER A 47 3.436 -8.366 7.536 1.00 53.13 O ATOM 664 CB SER A 47 4.541 -11.271 8.750 1.00 52.42 C ATOM 665 OG SER A 47 5.097 -10.258 9.572 1.00 64.34 O ATOM 0 H SER A 47 4.500 -11.336 6.287 1.00 31.34 H new ATOM 0 HA SER A 47 2.468 -11.310 8.185 1.00 65.23 H new ATOM 0 HB2 SER A 47 4.213 -12.106 9.368 1.00 52.42 H new ATOM 0 HB3 SER A 47 5.305 -11.656 8.074 1.00 52.42 H new ATOM 0 HG SER A 47 5.849 -10.626 10.081 1.00 64.34 H new ATOM 670 N SER A 48 2.509 -9.053 9.468 1.00 72.04 N ATOM 671 CA SER A 48 2.204 -7.704 9.928 1.00 55.20 C ATOM 672 C SER A 48 3.413 -6.787 9.764 1.00 52.35 C ATOM 673 O SER A 48 3.268 -5.592 9.509 1.00 53.21 O ATOM 674 CB SER A 48 1.765 -7.730 11.394 1.00 1.52 C ATOM 675 OG SER A 48 2.862 -7.993 12.250 1.00 35.54 O ATOM 0 H SER A 48 2.230 -9.792 10.113 1.00 72.04 H new ATOM 0 HA SER A 48 1.389 -7.314 9.318 1.00 55.20 H new ATOM 0 HB2 SER A 48 1.314 -6.774 11.659 1.00 1.52 H new ATOM 0 HB3 SER A 48 0.999 -8.493 11.534 1.00 1.52 H new ATOM 0 HG SER A 48 2.556 -8.003 13.181 1.00 35.54 H new ATOM 680 N ILE A 49 4.603 -7.358 9.912 1.00 34.04 N ATOM 681 CA ILE A 49 5.838 -6.593 9.779 1.00 53.12 C ATOM 682 C ILE A 49 6.150 -6.303 8.315 1.00 50.04 C ATOM 683 O ILE A 49 6.486 -5.175 7.951 1.00 33.11 O ATOM 684 CB ILE A 49 7.030 -7.336 10.410 1.00 11.14 C ATOM 685 CG1 ILE A 49 6.666 -7.835 11.810 1.00 23.35 C ATOM 686 CG2 ILE A 49 8.250 -6.428 10.466 1.00 55.00 C ATOM 687 CD1 ILE A 49 6.482 -6.724 12.819 1.00 5.11 C ATOM 0 H ILE A 49 4.739 -8.346 10.124 1.00 34.04 H new ATOM 0 HA ILE A 49 5.686 -5.652 10.308 1.00 53.12 H new ATOM 0 HB ILE A 49 7.271 -8.199 9.789 1.00 11.14 H new ATOM 0 HG12 ILE A 49 5.747 -8.417 11.751 1.00 23.35 H new ATOM 0 HG13 ILE A 49 7.448 -8.508 12.162 1.00 23.35 H new ATOM 0 HG21 ILE A 49 9.084 -6.967 10.914 1.00 55.00 H new ATOM 0 HG22 ILE A 49 8.519 -6.118 9.456 1.00 55.00 H new ATOM 0 HG23 ILE A 49 8.021 -5.548 11.067 1.00 55.00 H new ATOM 0 HD11 ILE A 49 6.226 -7.152 13.788 1.00 5.11 H new ATOM 0 HD12 ILE A 49 7.408 -6.155 12.907 1.00 5.11 H new ATOM 0 HD13 ILE A 49 5.680 -6.063 12.490 1.00 5.11 H new ATOM 698 N THR A 50 6.034 -7.328 7.477 1.00 61.12 N ATOM 699 CA THR A 50 6.303 -7.184 6.052 1.00 64.42 C ATOM 700 C THR A 50 5.363 -6.166 5.416 1.00 45.12 C ATOM 701 O THR A 50 5.760 -5.407 4.531 1.00 23.52 O ATOM 702 CB THR A 50 6.161 -8.529 5.315 1.00 40.23 C ATOM 703 OG1 THR A 50 7.066 -9.490 5.868 1.00 20.53 O ATOM 704 CG2 THR A 50 6.436 -8.363 3.828 1.00 43.31 C ATOM 0 H THR A 50 5.755 -8.267 7.761 1.00 61.12 H new ATOM 0 HA THR A 50 7.331 -6.834 5.957 1.00 64.42 H new ATOM 0 HB THR A 50 5.137 -8.881 5.442 1.00 40.23 H new ATOM 0 HG1 THR A 50 6.968 -10.342 5.395 1.00 20.53 H new ATOM 0 HG21 THR A 50 6.330 -9.326 3.329 1.00 43.31 H new ATOM 0 HG22 THR A 50 5.725 -7.654 3.404 1.00 43.31 H new ATOM 0 HG23 THR A 50 7.450 -7.990 3.685 1.00 43.31 H new ATOM 712 N VAL A 51 4.114 -6.154 5.871 1.00 61.41 N ATOM 713 CA VAL A 51 3.118 -5.229 5.346 1.00 14.32 C ATOM 714 C VAL A 51 3.502 -3.783 5.643 1.00 64.20 C ATOM 715 O VAL A 51 3.504 -2.935 4.752 1.00 61.14 O ATOM 716 CB VAL A 51 1.724 -5.510 5.938 1.00 55.11 C ATOM 717 CG1 VAL A 51 0.647 -4.804 5.128 1.00 5.22 C ATOM 718 CG2 VAL A 51 1.463 -7.007 5.997 1.00 32.40 C ATOM 0 H VAL A 51 3.768 -6.775 6.603 1.00 61.41 H new ATOM 0 HA VAL A 51 3.083 -5.379 4.267 1.00 14.32 H new ATOM 0 HB VAL A 51 1.695 -5.119 6.955 1.00 55.11 H new ATOM 0 HG11 VAL A 51 -0.331 -5.014 5.561 1.00 5.22 H new ATOM 0 HG12 VAL A 51 0.827 -3.729 5.143 1.00 5.22 H new ATOM 0 HG13 VAL A 51 0.672 -5.162 4.099 1.00 5.22 H new ATOM 0 HG21 VAL A 51 0.474 -7.188 6.418 1.00 32.40 H new ATOM 0 HG22 VAL A 51 1.511 -7.425 4.991 1.00 32.40 H new ATOM 0 HG23 VAL A 51 2.217 -7.483 6.624 1.00 32.40 H new ATOM 728 N GLY A 52 3.827 -3.510 6.903 1.00 2.13 N ATOM 729 CA GLY A 52 4.209 -2.165 7.295 1.00 74.22 C ATOM 730 C GLY A 52 5.391 -1.644 6.503 1.00 35.21 C ATOM 731 O GLY A 52 5.538 -0.436 6.318 1.00 41.14 O ATOM 0 H GLY A 52 3.833 -4.195 7.659 1.00 2.13 H new ATOM 0 HA2 GLY A 52 3.360 -1.495 7.158 1.00 74.22 H new ATOM 0 HA3 GLY A 52 4.455 -2.155 8.357 1.00 74.22 H new ATOM 735 N GLN A 53 6.238 -2.556 6.037 1.00 74.34 N ATOM 736 CA GLN A 53 7.415 -2.181 5.263 1.00 70.13 C ATOM 737 C GLN A 53 7.014 -1.595 3.913 1.00 32.04 C ATOM 738 O GLN A 53 7.548 -0.569 3.487 1.00 72.54 O ATOM 739 CB GLN A 53 8.324 -3.393 5.057 1.00 65.21 C ATOM 740 CG GLN A 53 8.638 -4.145 6.340 1.00 74.23 C ATOM 741 CD GLN A 53 10.098 -4.043 6.734 1.00 62.13 C ATOM 742 OE1 GLN A 53 10.984 -4.035 5.879 1.00 22.43 O ATOM 743 NE2 GLN A 53 10.357 -3.965 8.035 1.00 45.24 N ATOM 0 H GLN A 53 6.131 -3.560 6.182 1.00 74.34 H new ATOM 0 HA GLN A 53 7.959 -1.420 5.822 1.00 70.13 H new ATOM 0 HB2 GLN A 53 7.850 -4.076 4.352 1.00 65.21 H new ATOM 0 HB3 GLN A 53 9.258 -3.063 4.602 1.00 65.21 H new ATOM 0 HG2 GLN A 53 8.020 -3.753 7.147 1.00 74.23 H new ATOM 0 HG3 GLN A 53 8.372 -5.195 6.216 1.00 74.23 H new ATOM 0 HE21 GLN A 53 9.591 -3.975 8.709 1.00 45.24 H new ATOM 0 HE22 GLN A 53 11.321 -3.895 8.360 1.00 45.24 H new ATOM 750 N LEU A 54 6.073 -2.251 3.245 1.00 24.14 N ATOM 751 CA LEU A 54 5.602 -1.796 1.942 1.00 54.44 C ATOM 752 C LEU A 54 4.578 -0.675 2.095 1.00 51.03 C ATOM 753 O LEU A 54 4.491 0.221 1.255 1.00 44.20 O ATOM 754 CB LEU A 54 4.986 -2.961 1.165 1.00 2.43 C ATOM 755 CG LEU A 54 3.489 -3.192 1.375 1.00 4.50 C ATOM 756 CD1 LEU A 54 2.679 -2.380 0.376 1.00 53.15 C ATOM 757 CD2 LEU A 54 3.157 -4.672 1.255 1.00 73.20 C ATOM 0 H LEU A 54 5.621 -3.100 3.584 1.00 24.14 H new ATOM 0 HA LEU A 54 6.458 -1.410 1.388 1.00 54.44 H new ATOM 0 HB2 LEU A 54 5.162 -2.796 0.102 1.00 2.43 H new ATOM 0 HB3 LEU A 54 5.516 -3.874 1.438 1.00 2.43 H new ATOM 0 HG LEU A 54 3.226 -2.861 2.380 1.00 4.50 H new ATOM 0 HD11 LEU A 54 1.616 -2.557 0.540 1.00 53.15 H new ATOM 0 HD12 LEU A 54 2.895 -1.320 0.508 1.00 53.15 H new ATOM 0 HD13 LEU A 54 2.944 -2.681 -0.638 1.00 53.15 H new ATOM 0 HD21 LEU A 54 2.088 -4.819 1.407 1.00 73.20 H new ATOM 0 HD22 LEU A 54 3.434 -5.028 0.263 1.00 73.20 H new ATOM 0 HD23 LEU A 54 3.711 -5.231 2.009 1.00 73.20 H new ATOM 768 N VAL A 55 3.804 -0.730 3.175 1.00 21.34 N ATOM 769 CA VAL A 55 2.789 0.282 3.441 1.00 53.31 C ATOM 770 C VAL A 55 3.408 1.672 3.528 1.00 42.32 C ATOM 771 O VAL A 55 2.783 2.666 3.158 1.00 61.53 O ATOM 772 CB VAL A 55 2.032 -0.013 4.750 1.00 22.31 C ATOM 773 CG1 VAL A 55 1.337 1.241 5.258 1.00 72.05 C ATOM 774 CG2 VAL A 55 1.032 -1.141 4.543 1.00 60.01 C ATOM 0 H VAL A 55 3.861 -1.465 3.880 1.00 21.34 H new ATOM 0 HA VAL A 55 2.086 0.252 2.608 1.00 53.31 H new ATOM 0 HB VAL A 55 2.752 -0.331 5.504 1.00 22.31 H new ATOM 0 HG11 VAL A 55 0.807 1.014 6.183 1.00 72.05 H new ATOM 0 HG12 VAL A 55 2.079 2.017 5.446 1.00 72.05 H new ATOM 0 HG13 VAL A 55 0.626 1.592 4.510 1.00 72.05 H new ATOM 0 HG21 VAL A 55 0.506 -1.337 5.477 1.00 60.01 H new ATOM 0 HG22 VAL A 55 0.314 -0.854 3.775 1.00 60.01 H new ATOM 0 HG23 VAL A 55 1.559 -2.041 4.228 1.00 60.01 H new ATOM 784 N ASN A 56 4.642 1.735 4.017 1.00 32.22 N ATOM 785 CA ASN A 56 5.347 3.005 4.152 1.00 72.24 C ATOM 786 C ASN A 56 5.645 3.609 2.784 1.00 21.13 C ATOM 787 O ASN A 56 5.647 4.829 2.620 1.00 75.14 O ATOM 788 CB ASN A 56 6.649 2.809 4.931 1.00 73.00 C ATOM 789 CG ASN A 56 6.583 3.400 6.326 1.00 5.34 C ATOM 790 OD1 ASN A 56 6.415 4.608 6.493 1.00 72.11 O ATOM 791 ND2 ASN A 56 6.717 2.549 7.336 1.00 34.31 N ATOM 0 H ASN A 56 5.175 0.922 4.326 1.00 32.22 H new ATOM 0 HA ASN A 56 4.704 3.693 4.701 1.00 72.24 H new ATOM 0 HB2 ASN A 56 6.871 1.744 5.001 1.00 73.00 H new ATOM 0 HB3 ASN A 56 7.470 3.270 4.382 1.00 73.00 H new ATOM 0 HD21 ASN A 56 6.682 2.889 8.297 1.00 34.31 H new ATOM 0 HD22 ASN A 56 6.854 1.555 7.151 1.00 34.31 H new ATOM 797 N GLU A 57 5.897 2.747 1.804 1.00 23.24 N ATOM 798 CA GLU A 57 6.198 3.196 0.450 1.00 1.52 C ATOM 799 C GLU A 57 4.952 3.763 -0.224 1.00 45.24 C ATOM 800 O GLU A 57 5.030 4.713 -1.002 1.00 21.34 O ATOM 801 CB GLU A 57 6.761 2.042 -0.381 1.00 1.51 C ATOM 802 CG GLU A 57 7.524 2.496 -1.614 1.00 21.45 C ATOM 803 CD GLU A 57 8.757 3.310 -1.271 1.00 12.50 C ATOM 804 OE1 GLU A 57 9.365 3.047 -0.212 1.00 60.04 O ATOM 805 OE2 GLU A 57 9.113 4.210 -2.060 1.00 72.20 O ATOM 0 H GLU A 57 5.899 1.734 1.923 1.00 23.24 H new ATOM 0 HA GLU A 57 6.947 3.986 0.514 1.00 1.52 H new ATOM 0 HB2 GLU A 57 7.422 1.443 0.245 1.00 1.51 H new ATOM 0 HB3 GLU A 57 5.941 1.394 -0.690 1.00 1.51 H new ATOM 0 HG2 GLU A 57 7.820 1.623 -2.195 1.00 21.45 H new ATOM 0 HG3 GLU A 57 6.865 3.091 -2.246 1.00 21.45 H new ATOM 810 N ALA A 58 3.802 3.171 0.080 1.00 43.05 N ATOM 811 CA ALA A 58 2.538 3.615 -0.495 1.00 12.41 C ATOM 812 C ALA A 58 2.145 4.989 0.039 1.00 5.23 C ATOM 813 O ALA A 58 1.865 5.907 -0.731 1.00 50.11 O ATOM 814 CB ALA A 58 1.440 2.602 -0.207 1.00 21.24 C ATOM 0 H ALA A 58 3.719 2.382 0.722 1.00 43.05 H new ATOM 0 HA ALA A 58 2.668 3.696 -1.574 1.00 12.41 H new ATOM 0 HB1 ALA A 58 0.503 2.948 -0.643 1.00 21.24 H new ATOM 0 HB2 ALA A 58 1.709 1.640 -0.642 1.00 21.24 H new ATOM 0 HB3 ALA A 58 1.320 2.492 0.871 1.00 21.24 H new ATOM 820 N ALA A 59 2.127 5.121 1.361 1.00 43.32 N ATOM 821 CA ALA A 59 1.770 6.383 1.997 1.00 23.03 C ATOM 822 C ALA A 59 2.642 7.524 1.482 1.00 74.21 C ATOM 823 O ALA A 59 2.142 8.598 1.149 1.00 23.50 O ATOM 824 CB ALA A 59 1.890 6.265 3.509 1.00 31.45 C ATOM 0 H ALA A 59 2.355 4.370 2.012 1.00 43.32 H new ATOM 0 HA ALA A 59 0.734 6.609 1.743 1.00 23.03 H new ATOM 0 HB1 ALA A 59 1.620 7.215 3.971 1.00 31.45 H new ATOM 0 HB2 ALA A 59 1.219 5.484 3.867 1.00 31.45 H new ATOM 0 HB3 ALA A 59 2.916 6.011 3.774 1.00 31.45 H new ATOM 830 N ARG A 60 3.947 7.282 1.422 1.00 4.34 N ATOM 831 CA ARG A 60 4.890 8.291 0.949 1.00 72.35 C ATOM 832 C ARG A 60 4.545 8.735 -0.469 1.00 62.33 C ATOM 833 O ARG A 60 4.687 9.907 -0.814 1.00 25.45 O ATOM 834 CB ARG A 60 6.317 7.744 0.991 1.00 31.41 C ATOM 835 CG ARG A 60 7.366 8.802 1.295 1.00 63.15 C ATOM 836 CD ARG A 60 7.927 8.644 2.699 1.00 32.23 C ATOM 837 NE ARG A 60 9.214 7.954 2.700 1.00 5.23 N ATOM 838 CZ ARG A 60 9.998 7.860 3.768 1.00 72.12 C ATOM 839 NH1 ARG A 60 9.626 8.409 4.916 1.00 60.23 N ATOM 840 NH2 ARG A 60 11.155 7.216 3.690 1.00 62.32 N ATOM 0 H ARG A 60 4.376 6.398 1.694 1.00 4.34 H new ATOM 0 HA ARG A 60 4.820 9.156 1.609 1.00 72.35 H new ATOM 0 HB2 ARG A 60 6.374 6.960 1.746 1.00 31.41 H new ATOM 0 HB3 ARG A 60 6.548 7.281 0.032 1.00 31.41 H new ATOM 0 HG2 ARG A 60 8.176 8.732 0.569 1.00 63.15 H new ATOM 0 HG3 ARG A 60 6.926 9.793 1.187 1.00 63.15 H new ATOM 0 HD2 ARG A 60 8.042 9.627 3.156 1.00 32.23 H new ATOM 0 HD3 ARG A 60 7.218 8.089 3.312 1.00 32.23 H new ATOM 0 HE ARG A 60 9.528 7.520 1.832 1.00 5.23 H new ATOM 0 HH11 ARG A 60 8.737 8.904 4.980 1.00 60.23 H new ATOM 0 HH12 ARG A 60 10.229 8.336 5.735 1.00 60.23 H new ATOM 0 HH21 ARG A 60 11.444 6.792 2.809 1.00 62.32 H new ATOM 0 HH22 ARG A 60 11.756 7.145 4.511 1.00 62.32 H new ATOM 851 N ALA A 61 4.090 7.790 -1.285 1.00 42.03 N ATOM 852 CA ALA A 61 3.723 8.084 -2.665 1.00 12.05 C ATOM 853 C ALA A 61 2.466 8.944 -2.728 1.00 20.12 C ATOM 854 O ALA A 61 2.390 9.892 -3.508 1.00 2.33 O ATOM 855 CB ALA A 61 3.521 6.793 -3.444 1.00 51.13 C ATOM 0 H ALA A 61 3.967 6.814 -1.014 1.00 42.03 H new ATOM 0 HA ALA A 61 4.539 8.646 -3.120 1.00 12.05 H new ATOM 0 HB1 ALA A 61 3.247 7.028 -4.473 1.00 51.13 H new ATOM 0 HB2 ALA A 61 4.445 6.216 -3.437 1.00 51.13 H new ATOM 0 HB3 ALA A 61 2.725 6.209 -2.981 1.00 51.13 H new ATOM 861 N MET A 62 1.482 8.607 -1.901 1.00 23.14 N ATOM 862 CA MET A 62 0.227 9.350 -1.862 1.00 24.15 C ATOM 863 C MET A 62 0.429 10.724 -1.231 1.00 71.22 C ATOM 864 O MET A 62 -0.447 11.585 -1.302 1.00 44.13 O ATOM 865 CB MET A 62 -0.830 8.568 -1.083 1.00 61.51 C ATOM 866 CG MET A 62 -1.066 7.165 -1.619 1.00 22.44 C ATOM 867 SD MET A 62 -1.469 7.152 -3.376 1.00 25.43 S ATOM 868 CE MET A 62 -2.962 8.140 -3.389 1.00 10.00 C ATOM 0 H MET A 62 1.529 7.824 -1.249 1.00 23.14 H new ATOM 0 HA MET A 62 -0.117 9.487 -2.887 1.00 24.15 H new ATOM 0 HB2 MET A 62 -0.525 8.503 -0.039 1.00 61.51 H new ATOM 0 HB3 MET A 62 -1.770 9.120 -1.107 1.00 61.51 H new ATOM 0 HG2 MET A 62 -0.175 6.561 -1.450 1.00 22.44 H new ATOM 0 HG3 MET A 62 -1.878 6.699 -1.061 1.00 22.44 H new ATOM 0 HE1 MET A 62 -3.295 8.283 -4.417 1.00 10.00 H new ATOM 0 HE2 MET A 62 -3.741 7.629 -2.823 1.00 10.00 H new ATOM 0 HE3 MET A 62 -2.760 9.110 -2.934 1.00 10.00 H new ATOM 876 N GLY A 63 1.589 10.922 -0.612 1.00 71.40 N ATOM 877 CA GLY A 63 1.883 12.192 0.024 1.00 3.53 C ATOM 878 C GLY A 63 1.586 12.181 1.511 1.00 44.05 C ATOM 879 O GLY A 63 1.551 13.230 2.153 1.00 12.40 O ATOM 0 H GLY A 63 2.330 10.225 -0.540 1.00 71.40 H new ATOM 0 HA2 GLY A 63 2.934 12.437 -0.131 1.00 3.53 H new ATOM 0 HA3 GLY A 63 1.298 12.978 -0.454 1.00 3.53 H new ATOM 883 N LEU A 64 1.369 10.990 2.058 1.00 32.13 N ATOM 884 CA LEU A 64 1.071 10.844 3.479 1.00 32.14 C ATOM 885 C LEU A 64 2.342 10.954 4.316 1.00 2.24 C ATOM 886 O LEU A 64 3.394 11.352 3.816 1.00 31.41 O ATOM 887 CB LEU A 64 0.388 9.502 3.743 1.00 64.15 C ATOM 888 CG LEU A 64 -0.831 9.188 2.875 1.00 71.23 C ATOM 889 CD1 LEU A 64 -1.679 8.101 3.518 1.00 14.22 C ATOM 890 CD2 LEU A 64 -1.658 10.444 2.642 1.00 33.11 C ATOM 0 H LEU A 64 1.394 10.112 1.540 1.00 32.13 H new ATOM 0 HA LEU A 64 0.396 11.650 3.768 1.00 32.14 H new ATOM 0 HB2 LEU A 64 1.123 8.709 3.603 1.00 64.15 H new ATOM 0 HB3 LEU A 64 0.082 9.472 4.789 1.00 64.15 H new ATOM 0 HG LEU A 64 -0.481 8.823 1.909 1.00 71.23 H new ATOM 0 HD11 LEU A 64 -2.542 7.891 2.886 1.00 14.22 H new ATOM 0 HD12 LEU A 64 -1.084 7.195 3.632 1.00 14.22 H new ATOM 0 HD13 LEU A 64 -2.020 8.437 4.497 1.00 14.22 H new ATOM 0 HD21 LEU A 64 -2.521 10.201 2.022 1.00 33.11 H new ATOM 0 HD22 LEU A 64 -1.998 10.839 3.600 1.00 33.11 H new ATOM 0 HD23 LEU A 64 -1.048 11.193 2.137 1.00 33.11 H new ATOM 901 N SER A 65 2.237 10.597 5.592 1.00 71.12 N ATOM 902 CA SER A 65 3.377 10.655 6.499 1.00 14.33 C ATOM 903 C SER A 65 3.133 9.796 7.736 1.00 40.13 C ATOM 904 O SER A 65 3.696 8.711 7.871 1.00 63.11 O ATOM 905 CB SER A 65 3.650 12.102 6.915 1.00 11.51 C ATOM 906 OG SER A 65 2.470 12.728 7.391 1.00 72.33 O ATOM 0 H SER A 65 1.374 10.264 6.021 1.00 71.12 H new ATOM 0 HA SER A 65 4.248 10.264 5.973 1.00 14.33 H new ATOM 0 HB2 SER A 65 4.415 12.122 7.692 1.00 11.51 H new ATOM 0 HB3 SER A 65 4.044 12.660 6.065 1.00 11.51 H new ATOM 0 HG SER A 65 2.672 13.651 7.652 1.00 72.33 H new ATOM 911 N ALA A 66 2.289 10.291 8.636 1.00 4.22 N ATOM 912 CA ALA A 66 1.968 9.568 9.859 1.00 34.25 C ATOM 913 C ALA A 66 0.898 8.511 9.609 1.00 53.41 C ATOM 914 O ALA A 66 0.641 7.659 10.459 1.00 73.31 O ATOM 915 CB ALA A 66 1.513 10.537 10.941 1.00 11.54 C ATOM 0 H ALA A 66 1.816 11.190 8.540 1.00 4.22 H new ATOM 0 HA ALA A 66 2.871 9.059 10.198 1.00 34.25 H new ATOM 0 HB1 ALA A 66 1.276 9.983 11.849 1.00 11.54 H new ATOM 0 HB2 ALA A 66 2.310 11.251 11.149 1.00 11.54 H new ATOM 0 HB3 ALA A 66 0.626 11.072 10.601 1.00 11.54 H new ATOM 921 N VAL A 67 0.274 8.574 8.437 1.00 43.23 N ATOM 922 CA VAL A 67 -0.770 7.622 8.074 1.00 32.14 C ATOM 923 C VAL A 67 -0.219 6.202 8.013 1.00 65.14 C ATOM 924 O VAL A 67 -0.977 5.234 7.969 1.00 75.34 O ATOM 925 CB VAL A 67 -1.403 7.975 6.715 1.00 52.35 C ATOM 926 CG1 VAL A 67 -2.535 7.013 6.388 1.00 14.01 C ATOM 927 CG2 VAL A 67 -1.899 9.413 6.717 1.00 23.14 C ATOM 0 H VAL A 67 0.473 9.274 7.722 1.00 43.23 H new ATOM 0 HA VAL A 67 -1.535 7.679 8.848 1.00 32.14 H new ATOM 0 HB VAL A 67 -0.641 7.878 5.942 1.00 52.35 H new ATOM 0 HG11 VAL A 67 -2.970 7.278 5.424 1.00 14.01 H new ATOM 0 HG12 VAL A 67 -2.146 5.996 6.343 1.00 14.01 H new ATOM 0 HG13 VAL A 67 -3.300 7.075 7.161 1.00 14.01 H new ATOM 0 HG21 VAL A 67 -2.343 9.646 5.749 1.00 23.14 H new ATOM 0 HG22 VAL A 67 -2.647 9.539 7.500 1.00 23.14 H new ATOM 0 HG23 VAL A 67 -1.062 10.086 6.904 1.00 23.14 H new ATOM 937 N ALA A 68 1.104 6.085 8.009 1.00 21.20 N ATOM 938 CA ALA A 68 1.756 4.782 7.955 1.00 3.22 C ATOM 939 C ALA A 68 0.939 3.728 8.696 1.00 0.45 C ATOM 940 O ALA A 68 0.867 3.737 9.924 1.00 10.54 O ATOM 941 CB ALA A 68 3.159 4.870 8.536 1.00 14.44 C ATOM 0 H ALA A 68 1.746 6.877 8.043 1.00 21.20 H new ATOM 0 HA ALA A 68 1.826 4.481 6.910 1.00 3.22 H new ATOM 0 HB1 ALA A 68 3.634 3.890 8.489 1.00 14.44 H new ATOM 0 HB2 ALA A 68 3.747 5.586 7.961 1.00 14.44 H new ATOM 0 HB3 ALA A 68 3.103 5.197 9.574 1.00 14.44 H new ATOM 947 N MET A 69 0.327 2.823 7.940 1.00 34.30 N ATOM 948 CA MET A 69 -0.485 1.762 8.527 1.00 20.04 C ATOM 949 C MET A 69 -1.733 2.337 9.190 1.00 22.30 C ATOM 950 O MET A 69 -1.765 2.583 10.396 1.00 72.23 O ATOM 951 CB MET A 69 0.334 0.972 9.549 1.00 60.42 C ATOM 952 CG MET A 69 1.773 0.734 9.123 1.00 43.04 C ATOM 953 SD MET A 69 2.443 -0.810 9.772 1.00 4.02 S ATOM 954 CE MET A 69 1.332 -2.001 9.025 1.00 34.12 C ATOM 0 H MET A 69 0.377 2.802 6.921 1.00 34.30 H new ATOM 0 HA MET A 69 -0.798 1.091 7.727 1.00 20.04 H new ATOM 0 HB2 MET A 69 0.329 1.508 10.498 1.00 60.42 H new ATOM 0 HB3 MET A 69 -0.148 0.010 9.723 1.00 60.42 H new ATOM 0 HG2 MET A 69 1.828 0.720 8.034 1.00 43.04 H new ATOM 0 HG3 MET A 69 2.391 1.565 9.463 1.00 43.04 H new ATOM 0 HE1 MET A 69 1.875 -2.923 8.815 1.00 34.12 H new ATOM 0 HE2 MET A 69 0.510 -2.211 9.710 1.00 34.12 H new ATOM 0 HE3 MET A 69 0.934 -1.594 8.095 1.00 34.12 H new ATOM 962 N PRO A 70 -2.783 2.555 8.387 1.00 43.45 N ATOM 963 CA PRO A 70 -4.053 3.102 8.875 1.00 2.14 C ATOM 964 C PRO A 70 -4.808 2.114 9.757 1.00 54.10 C ATOM 965 O PRO A 70 -5.633 2.508 10.583 1.00 74.23 O ATOM 966 CB PRO A 70 -4.837 3.379 7.590 1.00 3.40 C ATOM 967 CG PRO A 70 -4.269 2.435 6.588 1.00 21.34 C ATOM 968 CD PRO A 70 -2.815 2.284 6.939 1.00 32.14 C ATOM 0 HA PRO A 70 -3.905 3.984 9.498 1.00 2.14 H new ATOM 0 HB2 PRO A 70 -5.904 3.209 7.733 1.00 3.40 H new ATOM 0 HB3 PRO A 70 -4.719 4.414 7.270 1.00 3.40 H new ATOM 0 HG2 PRO A 70 -4.781 1.473 6.624 1.00 21.34 H new ATOM 0 HG3 PRO A 70 -4.388 2.822 5.576 1.00 21.34 H new ATOM 0 HD2 PRO A 70 -2.448 1.284 6.709 1.00 32.14 H new ATOM 0 HD3 PRO A 70 -2.193 2.987 6.385 1.00 32.14 H new ATOM 973 N THR A 71 -4.521 0.829 9.579 1.00 75.52 N ATOM 974 CA THR A 71 -5.174 -0.216 10.359 1.00 21.11 C ATOM 975 C THR A 71 -4.595 -1.587 10.035 1.00 62.53 C ATOM 976 O THR A 71 -3.787 -1.730 9.118 1.00 72.12 O ATOM 977 CB THR A 71 -6.693 -0.240 10.105 1.00 53.33 C ATOM 978 OG1 THR A 71 -7.325 -1.164 10.998 1.00 71.43 O ATOM 979 CG2 THR A 71 -6.995 -0.630 8.666 1.00 72.34 C ATOM 0 H THR A 71 -3.840 0.486 8.901 1.00 75.52 H new ATOM 0 HA THR A 71 -4.992 0.013 11.409 1.00 21.11 H new ATOM 0 HB THR A 71 -7.084 0.762 10.283 1.00 53.33 H new ATOM 0 HG1 THR A 71 -8.291 -1.172 10.831 1.00 71.43 H new ATOM 0 HG21 THR A 71 -8.074 -0.640 8.511 1.00 72.34 H new ATOM 0 HG22 THR A 71 -6.538 0.092 7.990 1.00 72.34 H new ATOM 0 HG23 THR A 71 -6.590 -1.622 8.465 1.00 72.34 H new ATOM 987 N ASN A 72 -5.012 -2.596 10.794 1.00 25.00 N ATOM 988 CA ASN A 72 -4.534 -3.957 10.587 1.00 43.05 C ATOM 989 C ASN A 72 -4.646 -4.356 9.118 1.00 53.04 C ATOM 990 O ASN A 72 -5.619 -4.015 8.444 1.00 22.22 O ATOM 991 CB ASN A 72 -5.327 -4.937 11.454 1.00 32.42 C ATOM 992 CG ASN A 72 -4.494 -6.127 11.892 1.00 42.43 C ATOM 993 OD1 ASN A 72 -4.841 -7.306 11.389 1.00 42.32 O flip ATOM 994 ND2 ASN A 72 -3.553 -5.987 12.672 1.00 24.52 N flip ATOM 0 H ASN A 72 -5.680 -2.496 11.558 1.00 25.00 H new ATOM 0 HA ASN A 72 -3.484 -3.994 10.877 1.00 43.05 H new ATOM 0 HB2 ASN A 72 -5.703 -4.416 12.335 1.00 32.42 H new ATOM 0 HB3 ASN A 72 -6.195 -5.290 10.897 1.00 32.42 H new ATOM 0 HD21 ASN A 72 -3.323 -5.061 13.033 1.00 24.52 H new ATOM 0 HD22 ASN A 72 -3.003 -6.797 12.958 1.00 24.52 H new ATOM 1000 N PHE A 73 -3.646 -5.081 8.629 1.00 22.43 N ATOM 1001 CA PHE A 73 -3.632 -5.527 7.240 1.00 53.31 C ATOM 1002 C PHE A 73 -3.569 -7.049 7.158 1.00 32.13 C ATOM 1003 O PHE A 73 -3.880 -7.638 6.124 1.00 22.00 O ATOM 1004 CB PHE A 73 -2.442 -4.914 6.499 1.00 0.23 C ATOM 1005 CG PHE A 73 -2.659 -3.484 6.094 1.00 60.14 C ATOM 1006 CD1 PHE A 73 -3.683 -3.145 5.225 1.00 42.42 C ATOM 1007 CD2 PHE A 73 -1.840 -2.479 6.583 1.00 41.14 C ATOM 1008 CE1 PHE A 73 -3.885 -1.830 4.850 1.00 2.13 C ATOM 1009 CE2 PHE A 73 -2.038 -1.163 6.213 1.00 20.23 C ATOM 1010 CZ PHE A 73 -3.061 -0.837 5.345 1.00 52.20 C ATOM 0 H PHE A 73 -2.834 -5.373 9.174 1.00 22.43 H new ATOM 0 HA PHE A 73 -4.556 -5.194 6.767 1.00 53.31 H new ATOM 0 HB2 PHE A 73 -1.559 -4.973 7.135 1.00 0.23 H new ATOM 0 HB3 PHE A 73 -2.234 -5.508 5.609 1.00 0.23 H new ATOM 0 HD1 PHE A 73 -4.331 -3.917 4.836 1.00 42.42 H new ATOM 0 HD2 PHE A 73 -1.037 -2.728 7.261 1.00 41.14 H new ATOM 0 HE1 PHE A 73 -4.686 -1.579 4.171 1.00 2.13 H new ATOM 0 HE2 PHE A 73 -1.393 -0.389 6.603 1.00 20.23 H new ATOM 0 HZ PHE A 73 -3.217 0.191 5.054 1.00 52.20 H new ATOM 1019 N ALA A 74 -3.162 -7.678 8.256 1.00 60.21 N ATOM 1020 CA ALA A 74 -3.058 -9.131 8.309 1.00 62.13 C ATOM 1021 C ALA A 74 -4.376 -9.791 7.914 1.00 1.35 C ATOM 1022 O ALA A 74 -4.407 -10.963 7.537 1.00 54.50 O ATOM 1023 CB ALA A 74 -2.638 -9.580 9.701 1.00 72.11 C ATOM 0 H ALA A 74 -2.899 -7.204 9.120 1.00 60.21 H new ATOM 0 HA ALA A 74 -2.297 -9.442 7.593 1.00 62.13 H new ATOM 0 HB1 ALA A 74 -2.564 -10.667 9.726 1.00 72.11 H new ATOM 0 HB2 ALA A 74 -1.669 -9.145 9.947 1.00 72.11 H new ATOM 0 HB3 ALA A 74 -3.379 -9.250 10.429 1.00 72.11 H new ATOM 1029 N THR A 75 -5.463 -9.029 8.002 1.00 64.41 N ATOM 1030 CA THR A 75 -6.783 -9.540 7.655 1.00 64.43 C ATOM 1031 C THR A 75 -7.427 -8.700 6.558 1.00 25.11 C ATOM 1032 O THR A 75 -8.612 -8.850 6.264 1.00 1.21 O ATOM 1033 CB THR A 75 -7.715 -9.565 8.880 1.00 73.14 C ATOM 1034 OG1 THR A 75 -9.003 -10.069 8.507 1.00 31.51 O ATOM 1035 CG2 THR A 75 -7.863 -8.173 9.477 1.00 22.52 C ATOM 0 H THR A 75 -5.454 -8.057 8.310 1.00 64.41 H new ATOM 0 HA THR A 75 -6.642 -10.559 7.294 1.00 64.43 H new ATOM 0 HB THR A 75 -7.273 -10.220 9.631 1.00 73.14 H new ATOM 0 HG1 THR A 75 -9.333 -9.577 7.726 1.00 31.51 H new ATOM 0 HG21 THR A 75 -8.526 -8.216 10.341 1.00 22.52 H new ATOM 0 HG22 THR A 75 -6.885 -7.805 9.788 1.00 22.52 H new ATOM 0 HG23 THR A 75 -8.284 -7.500 8.730 1.00 22.52 H new ATOM 1043 N ALA A 76 -6.637 -7.817 5.956 1.00 3.51 N ATOM 1044 CA ALA A 76 -7.130 -6.955 4.889 1.00 11.30 C ATOM 1045 C ALA A 76 -6.586 -7.392 3.533 1.00 31.12 C ATOM 1046 O ALA A 76 -5.703 -8.247 3.453 1.00 64.23 O ATOM 1047 CB ALA A 76 -6.758 -5.505 5.166 1.00 73.42 C ATOM 0 H ALA A 76 -5.653 -7.680 6.189 1.00 3.51 H new ATOM 0 HA ALA A 76 -8.216 -7.041 4.860 1.00 11.30 H new ATOM 0 HB1 ALA A 76 -7.133 -4.873 4.361 1.00 73.42 H new ATOM 0 HB2 ALA A 76 -7.201 -5.190 6.111 1.00 73.42 H new ATOM 0 HB3 ALA A 76 -5.674 -5.412 5.225 1.00 73.42 H new ATOM 1053 N THR A 77 -7.117 -6.801 2.468 1.00 14.31 N ATOM 1054 CA THR A 77 -6.686 -7.130 1.115 1.00 71.34 C ATOM 1055 C THR A 77 -6.142 -5.901 0.396 1.00 32.41 C ATOM 1056 O THR A 77 -6.246 -4.781 0.896 1.00 32.03 O ATOM 1057 CB THR A 77 -7.840 -7.727 0.287 1.00 34.11 C ATOM 1058 OG1 THR A 77 -9.028 -6.949 0.472 1.00 1.35 O ATOM 1059 CG2 THR A 77 -8.105 -9.170 0.690 1.00 12.35 C ATOM 0 H THR A 77 -7.848 -6.091 2.516 1.00 14.31 H new ATOM 0 HA THR A 77 -5.894 -7.873 1.208 1.00 71.34 H new ATOM 0 HB THR A 77 -7.553 -7.707 -0.764 1.00 34.11 H new ATOM 0 HG1 THR A 77 -9.757 -7.333 -0.059 1.00 1.35 H new ATOM 0 HG21 THR A 77 -8.924 -9.570 0.092 1.00 12.35 H new ATOM 0 HG22 THR A 77 -7.208 -9.765 0.522 1.00 12.35 H new ATOM 0 HG23 THR A 77 -8.374 -9.209 1.746 1.00 12.35 H new ATOM 1067 N VAL A 78 -5.563 -6.118 -0.780 1.00 5.34 N ATOM 1068 CA VAL A 78 -5.004 -5.026 -1.569 1.00 20.33 C ATOM 1069 C VAL A 78 -6.031 -3.919 -1.781 1.00 62.51 C ATOM 1070 O VAL A 78 -5.690 -2.737 -1.797 1.00 24.11 O ATOM 1071 CB VAL A 78 -4.509 -5.521 -2.941 1.00 65.14 C ATOM 1072 CG1 VAL A 78 -3.526 -6.670 -2.771 1.00 31.01 C ATOM 1073 CG2 VAL A 78 -5.684 -5.939 -3.812 1.00 64.54 C ATOM 0 H VAL A 78 -5.468 -7.039 -1.208 1.00 5.34 H new ATOM 0 HA VAL A 78 -4.158 -4.630 -1.007 1.00 20.33 H new ATOM 0 HB VAL A 78 -3.991 -4.701 -3.438 1.00 65.14 H new ATOM 0 HG11 VAL A 78 -3.187 -7.007 -3.751 1.00 31.01 H new ATOM 0 HG12 VAL A 78 -2.670 -6.333 -2.187 1.00 31.01 H new ATOM 0 HG13 VAL A 78 -4.016 -7.495 -2.254 1.00 31.01 H new ATOM 0 HG21 VAL A 78 -5.316 -6.286 -4.778 1.00 64.54 H new ATOM 0 HG22 VAL A 78 -6.232 -6.744 -3.322 1.00 64.54 H new ATOM 0 HG23 VAL A 78 -6.347 -5.087 -3.961 1.00 64.54 H new ATOM 1083 N ARG A 79 -7.290 -4.312 -1.943 1.00 13.00 N ATOM 1084 CA ARG A 79 -8.368 -3.352 -2.155 1.00 71.22 C ATOM 1085 C ARG A 79 -8.584 -2.494 -0.912 1.00 54.11 C ATOM 1086 O ARG A 79 -8.844 -1.295 -1.011 1.00 63.52 O ATOM 1087 CB ARG A 79 -9.664 -4.080 -2.516 1.00 72.54 C ATOM 1088 CG ARG A 79 -10.791 -3.148 -2.930 1.00 63.34 C ATOM 1089 CD ARG A 79 -10.717 -2.809 -4.410 1.00 61.11 C ATOM 1090 NE ARG A 79 -11.273 -3.871 -5.244 1.00 62.32 N ATOM 1091 CZ ARG A 79 -12.574 -4.115 -5.355 1.00 72.31 C ATOM 1092 NH1 ARG A 79 -13.449 -3.375 -4.687 1.00 20.31 N ATOM 1093 NH2 ARG A 79 -13.002 -5.100 -6.133 1.00 1.00 N ATOM 0 H ARG A 79 -7.589 -5.287 -1.932 1.00 13.00 H new ATOM 0 HA ARG A 79 -8.083 -2.700 -2.981 1.00 71.22 H new ATOM 0 HB2 ARG A 79 -9.464 -4.778 -3.329 1.00 72.54 H new ATOM 0 HB3 ARG A 79 -9.989 -4.672 -1.660 1.00 72.54 H new ATOM 0 HG2 ARG A 79 -11.751 -3.616 -2.710 1.00 63.34 H new ATOM 0 HG3 ARG A 79 -10.741 -2.231 -2.343 1.00 63.34 H new ATOM 0 HD2 ARG A 79 -11.258 -1.881 -4.597 1.00 61.11 H new ATOM 0 HD3 ARG A 79 -9.678 -2.635 -4.690 1.00 61.11 H new ATOM 0 HE ARG A 79 -10.626 -4.458 -5.771 1.00 62.32 H new ATOM 0 HH11 ARG A 79 -13.123 -2.617 -4.087 1.00 20.31 H new ATOM 0 HH12 ARG A 79 -14.448 -3.564 -4.773 1.00 20.31 H new ATOM 0 HH21 ARG A 79 -12.332 -5.672 -6.647 1.00 1.00 H new ATOM 0 HH22 ARG A 79 -14.001 -5.286 -6.217 1.00 1.00 H new ATOM 1104 N GLU A 80 -8.475 -3.117 0.258 1.00 31.25 N ATOM 1105 CA GLU A 80 -8.660 -2.409 1.519 1.00 22.34 C ATOM 1106 C GLU A 80 -7.554 -1.378 1.732 1.00 52.32 C ATOM 1107 O GLU A 80 -7.825 -0.221 2.050 1.00 20.23 O ATOM 1108 CB GLU A 80 -8.679 -3.399 2.686 1.00 54.41 C ATOM 1109 CG GLU A 80 -10.046 -4.015 2.938 1.00 21.34 C ATOM 1110 CD GLU A 80 -10.299 -4.291 4.408 1.00 21.55 C ATOM 1111 OE1 GLU A 80 -9.670 -5.222 4.954 1.00 42.01 O ATOM 1112 OE2 GLU A 80 -11.125 -3.576 5.011 1.00 70.15 O ATOM 0 H GLU A 80 -8.260 -4.109 0.358 1.00 31.25 H new ATOM 0 HA GLU A 80 -9.616 -1.888 1.477 1.00 22.34 H new ATOM 0 HB2 GLU A 80 -7.962 -4.195 2.488 1.00 54.41 H new ATOM 0 HB3 GLU A 80 -8.347 -2.889 3.590 1.00 54.41 H new ATOM 0 HG2 GLU A 80 -10.818 -3.345 2.560 1.00 21.34 H new ATOM 0 HG3 GLU A 80 -10.130 -4.946 2.378 1.00 21.34 H new ATOM 1117 N MET A 81 -6.310 -1.808 1.553 1.00 53.12 N ATOM 1118 CA MET A 81 -5.164 -0.922 1.725 1.00 53.31 C ATOM 1119 C MET A 81 -5.177 0.192 0.683 1.00 73.24 C ATOM 1120 O MET A 81 -4.905 1.350 0.996 1.00 12.42 O ATOM 1121 CB MET A 81 -3.860 -1.715 1.624 1.00 2.34 C ATOM 1122 CG MET A 81 -2.615 -0.861 1.800 1.00 32.25 C ATOM 1123 SD MET A 81 -1.119 -1.687 1.223 1.00 3.51 S ATOM 1124 CE MET A 81 -0.811 -2.817 2.578 1.00 12.24 C ATOM 0 H MET A 81 -6.069 -2.763 1.289 1.00 53.12 H new ATOM 0 HA MET A 81 -5.231 -0.470 2.715 1.00 53.31 H new ATOM 0 HB2 MET A 81 -3.862 -2.500 2.380 1.00 2.34 H new ATOM 0 HB3 MET A 81 -3.818 -2.208 0.653 1.00 2.34 H new ATOM 0 HG2 MET A 81 -2.741 0.075 1.256 1.00 32.25 H new ATOM 0 HG3 MET A 81 -2.501 -0.605 2.853 1.00 32.25 H new ATOM 0 HE1 MET A 81 0.259 -3.010 2.655 1.00 12.24 H new ATOM 0 HE2 MET A 81 -1.168 -2.375 3.508 1.00 12.24 H new ATOM 0 HE3 MET A 81 -1.337 -3.755 2.397 1.00 12.24 H new ATOM 1132 N ALA A 82 -5.497 -0.166 -0.557 1.00 71.31 N ATOM 1133 CA ALA A 82 -5.548 0.803 -1.643 1.00 21.12 C ATOM 1134 C ALA A 82 -6.710 1.773 -1.459 1.00 45.40 C ATOM 1135 O ALA A 82 -6.552 2.983 -1.626 1.00 75.44 O ATOM 1136 CB ALA A 82 -5.659 0.090 -2.982 1.00 51.33 C ATOM 0 H ALA A 82 -5.725 -1.121 -0.833 1.00 71.31 H new ATOM 0 HA ALA A 82 -4.623 1.379 -1.627 1.00 21.12 H new ATOM 0 HB1 ALA A 82 -5.696 0.827 -3.785 1.00 51.33 H new ATOM 0 HB2 ALA A 82 -4.793 -0.557 -3.123 1.00 51.33 H new ATOM 0 HB3 ALA A 82 -6.568 -0.512 -3.000 1.00 51.33 H new ATOM 1142 N GLU A 83 -7.876 1.234 -1.117 1.00 51.31 N ATOM 1143 CA GLU A 83 -9.065 2.053 -0.913 1.00 12.32 C ATOM 1144 C GLU A 83 -8.844 3.062 0.212 1.00 44.34 C ATOM 1145 O GLU A 83 -9.237 4.223 0.103 1.00 74.35 O ATOM 1146 CB GLU A 83 -10.271 1.170 -0.591 1.00 63.13 C ATOM 1147 CG GLU A 83 -10.914 0.546 -1.819 1.00 20.22 C ATOM 1148 CD GLU A 83 -11.982 1.431 -2.433 1.00 32.45 C ATOM 1149 OE1 GLU A 83 -11.629 2.515 -2.947 1.00 75.54 O ATOM 1150 OE2 GLU A 83 -13.168 1.042 -2.398 1.00 23.25 O ATOM 0 H GLU A 83 -8.023 0.235 -0.975 1.00 51.31 H new ATOM 0 HA GLU A 83 -9.261 2.600 -1.835 1.00 12.32 H new ATOM 0 HB2 GLU A 83 -9.959 0.377 0.088 1.00 63.13 H new ATOM 0 HB3 GLU A 83 -11.016 1.766 -0.064 1.00 63.13 H new ATOM 0 HG2 GLU A 83 -10.144 0.342 -2.563 1.00 20.22 H new ATOM 0 HG3 GLU A 83 -11.355 -0.413 -1.546 1.00 20.22 H new ATOM 1155 N ALA A 84 -8.214 2.608 1.290 1.00 3.33 N ATOM 1156 CA ALA A 84 -7.940 3.469 2.433 1.00 2.14 C ATOM 1157 C ALA A 84 -7.037 4.634 2.039 1.00 40.12 C ATOM 1158 O ALA A 84 -7.265 5.774 2.446 1.00 33.14 O ATOM 1159 CB ALA A 84 -7.307 2.665 3.559 1.00 4.14 C ATOM 0 H ALA A 84 -7.884 1.649 1.396 1.00 3.33 H new ATOM 0 HA ALA A 84 -8.887 3.880 2.783 1.00 2.14 H new ATOM 0 HB1 ALA A 84 -7.108 3.321 4.407 1.00 4.14 H new ATOM 0 HB2 ALA A 84 -7.988 1.871 3.867 1.00 4.14 H new ATOM 0 HB3 ALA A 84 -6.372 2.226 3.212 1.00 4.14 H new ATOM 1165 N LEU A 85 -6.012 4.340 1.247 1.00 3.04 N ATOM 1166 CA LEU A 85 -5.074 5.363 0.799 1.00 1.42 C ATOM 1167 C LEU A 85 -5.727 6.293 -0.219 1.00 42.53 C ATOM 1168 O LEU A 85 -5.579 7.512 -0.144 1.00 4.23 O ATOM 1169 CB LEU A 85 -3.832 4.713 0.188 1.00 65.32 C ATOM 1170 CG LEU A 85 -2.686 4.414 1.155 1.00 20.01 C ATOM 1171 CD1 LEU A 85 -1.943 3.156 0.730 1.00 42.42 C ATOM 1172 CD2 LEU A 85 -1.733 5.597 1.234 1.00 21.12 C ATOM 0 H LEU A 85 -5.809 3.402 0.902 1.00 3.04 H new ATOM 0 HA LEU A 85 -4.778 5.953 1.666 1.00 1.42 H new ATOM 0 HB2 LEU A 85 -4.132 3.779 -0.288 1.00 65.32 H new ATOM 0 HB3 LEU A 85 -3.455 5.366 -0.600 1.00 65.32 H new ATOM 0 HG LEU A 85 -3.107 4.245 2.146 1.00 20.01 H new ATOM 0 HD11 LEU A 85 -1.131 2.959 1.430 1.00 42.42 H new ATOM 0 HD12 LEU A 85 -2.631 2.311 0.726 1.00 42.42 H new ATOM 0 HD13 LEU A 85 -1.534 3.296 -0.271 1.00 42.42 H new ATOM 0 HD21 LEU A 85 -0.924 5.367 1.927 1.00 21.12 H new ATOM 0 HD22 LEU A 85 -1.319 5.797 0.246 1.00 21.12 H new ATOM 0 HD23 LEU A 85 -2.273 6.476 1.586 1.00 21.12 H new ATOM 1183 N GLU A 86 -6.454 5.708 -1.166 1.00 3.12 N ATOM 1184 CA GLU A 86 -7.131 6.485 -2.197 1.00 44.42 C ATOM 1185 C GLU A 86 -8.164 7.424 -1.581 1.00 70.13 C ATOM 1186 O GLU A 86 -8.404 8.519 -2.088 1.00 61.05 O ATOM 1187 CB GLU A 86 -7.808 5.555 -3.206 1.00 42.10 C ATOM 1188 CG GLU A 86 -9.291 5.351 -2.945 1.00 62.33 C ATOM 1189 CD GLU A 86 -10.142 6.478 -3.498 1.00 25.43 C ATOM 1190 OE1 GLU A 86 -9.858 6.940 -4.623 1.00 61.51 O ATOM 1191 OE2 GLU A 86 -11.092 6.897 -2.805 1.00 64.12 O ATOM 0 H GLU A 86 -6.589 4.700 -1.240 1.00 3.12 H new ATOM 0 HA GLU A 86 -6.382 7.086 -2.713 1.00 44.42 H new ATOM 0 HB2 GLU A 86 -7.677 5.963 -4.208 1.00 42.10 H new ATOM 0 HB3 GLU A 86 -7.308 4.587 -3.188 1.00 42.10 H new ATOM 0 HG2 GLU A 86 -9.608 4.409 -3.392 1.00 62.33 H new ATOM 0 HG3 GLU A 86 -9.459 5.267 -1.871 1.00 62.33 H new ATOM 1196 N ALA A 87 -8.773 6.985 -0.484 1.00 60.13 N ATOM 1197 CA ALA A 87 -9.779 7.785 0.203 1.00 40.21 C ATOM 1198 C ALA A 87 -9.160 9.038 0.814 1.00 51.43 C ATOM 1199 O ALA A 87 -9.773 10.106 0.815 1.00 33.41 O ATOM 1200 CB ALA A 87 -10.469 6.957 1.277 1.00 52.43 C ATOM 0 H ALA A 87 -8.587 6.080 -0.052 1.00 60.13 H new ATOM 0 HA ALA A 87 -10.521 8.099 -0.531 1.00 40.21 H new ATOM 0 HB1 ALA A 87 -11.218 7.567 1.782 1.00 52.43 H new ATOM 0 HB2 ALA A 87 -10.953 6.095 0.817 1.00 52.43 H new ATOM 0 HB3 ALA A 87 -9.731 6.614 2.002 1.00 52.43 H new