USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HE2:sc= -3.36 X(o=-3.4,f=-3.3) USER MOD Set 1.2: A 59 TYR OH : rot 0:sc= -0.0224 USER MOD Set 2.1: A 28 CYS SG : rot 20:sc= -0.833 USER MOD Set 2.2: A 31 CYS SG : rot -50:sc= -3.3! USER MOD Set 2.3: A 60 HIS : no HE2:sc= -0.267 K(o=-5.8,f=-6.6) USER MOD Set 2.4: A 63 CYS SG : rot -178:sc= -1.39 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -39:sc= 0.167 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00768 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 0.0338 (180deg=-0.0146) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 42:sc= 0.599 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -85:sc= 1.18 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -153:sc= -0.0301 (180deg=-0.222) USER MOD Single : A 47 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0805) USER MOD Single : A 62 SER OG : rot 180:sc= -0.222 USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -0.486 (180deg=-1.17) USER MOD Single : A 69 HIS : no HD1:sc= -2.03 K(o=-2,f=-1.5) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.022) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.4!) USER MOD Single : A 90 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= -0.0244 (180deg=-0.218) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 87:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.331 10.167 -2.380 1.00 0.00 N ATOM 165 CA LEU A 15 0.891 10.234 -2.154 1.00 0.00 C ATOM 166 C LEU A 15 0.349 8.887 -1.686 1.00 0.00 C ATOM 167 O LEU A 15 -0.506 8.824 -0.803 1.00 0.00 O ATOM 168 CB LEU A 15 0.174 10.668 -3.433 1.00 0.00 C ATOM 169 CG LEU A 15 -0.040 12.172 -3.605 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.117 12.792 -4.372 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.359 12.446 -4.314 1.00 0.00 C ATOM 0 HA LEU A 15 0.705 10.971 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.744 10.302 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.799 10.177 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.080 12.629 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.947 13.863 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.046 12.628 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.189 12.331 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.494 13.522 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.348 11.976 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.180 12.037 -3.725 1.00 0.00 H new ATOM 183 N TYR A 16 0.855 7.813 -2.281 1.00 0.00 N ATOM 184 CA TYR A 16 0.422 6.467 -1.926 1.00 0.00 C ATOM 185 C TYR A 16 1.558 5.682 -1.277 1.00 0.00 C ATOM 186 O TYR A 16 2.734 5.949 -1.529 1.00 0.00 O ATOM 187 CB TYR A 16 -0.082 5.726 -3.166 1.00 0.00 C ATOM 188 CG TYR A 16 -1.062 6.527 -3.993 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.367 6.726 -3.560 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.683 7.086 -5.207 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.266 7.456 -4.312 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.575 7.819 -5.966 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.865 8.001 -5.514 1.00 0.00 C ATOM 194 OH TYR A 16 -3.758 8.730 -6.267 1.00 0.00 O ATOM 0 H TYR A 16 1.566 7.848 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.393 6.553 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.771 5.456 -3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.557 4.796 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.684 6.302 -2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.327 6.945 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.277 7.599 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.264 8.247 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.317 9.045 -7.084 1.00 0.00 H new ATOM 204 N ARG A 17 1.199 4.713 -0.442 1.00 0.00 N ATOM 205 CA ARG A 17 2.187 3.889 0.243 1.00 0.00 C ATOM 206 C ARG A 17 1.639 2.490 0.507 1.00 0.00 C ATOM 207 O ARG A 17 0.778 2.300 1.366 1.00 0.00 O ATOM 208 CB ARG A 17 2.601 4.543 1.562 1.00 0.00 C ATOM 209 CG ARG A 17 3.455 3.648 2.444 1.00 0.00 C ATOM 210 CD ARG A 17 3.428 4.105 3.894 1.00 0.00 C ATOM 211 NE ARG A 17 4.484 5.073 4.183 1.00 0.00 N ATOM 212 CZ ARG A 17 4.536 5.793 5.298 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.598 5.654 6.225 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.528 6.653 5.488 1.00 0.00 N ATOM 0 H ARG A 17 0.231 4.479 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 17 3.061 3.802 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.152 5.459 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.705 4.832 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.096 2.621 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.482 3.650 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.458 4.550 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.540 3.241 4.549 1.00 0.00 H new ATOM 0 HE ARG A 17 5.222 5.203 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.834 4.993 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.640 6.208 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.252 6.762 4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.567 7.205 6.345 1.00 0.00 H new ATOM 228 N VAL A 18 2.144 1.512 -0.239 1.00 0.00 N ATOM 229 CA VAL A 18 1.706 0.130 -0.085 1.00 0.00 C ATOM 230 C VAL A 18 2.693 -0.669 0.759 1.00 0.00 C ATOM 231 O VAL A 18 3.906 -0.546 0.595 1.00 0.00 O ATOM 232 CB VAL A 18 1.540 -0.562 -1.452 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.885 -0.695 -2.150 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.880 -1.922 -1.284 1.00 0.00 C ATOM 0 H VAL A 18 2.856 1.651 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 18 0.740 0.159 0.420 1.00 0.00 H new ATOM 0 HB VAL A 18 0.894 0.055 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.748 -1.186 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.314 0.295 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.558 -1.290 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.771 -2.396 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.498 -2.550 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.103 -1.796 -0.830 1.00 0.00 H new ATOM 244 N GLU A 19 2.163 -1.487 1.663 1.00 0.00 N ATOM 245 CA GLU A 19 2.998 -2.306 2.534 1.00 0.00 C ATOM 246 C GLU A 19 2.155 -3.324 3.296 1.00 0.00 C ATOM 247 O GLU A 19 0.945 -3.154 3.450 1.00 0.00 O ATOM 248 CB GLU A 19 3.765 -1.423 3.520 1.00 0.00 C ATOM 249 CG GLU A 19 2.891 -0.826 4.610 1.00 0.00 C ATOM 250 CD GLU A 19 3.691 -0.063 5.647 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.775 -0.548 6.035 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.234 1.019 6.071 1.00 0.00 O ATOM 0 H GLU A 19 1.160 -1.600 1.811 1.00 0.00 H new ATOM 0 HA GLU A 19 3.711 -2.845 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.556 -2.013 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.249 -0.615 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.159 -0.157 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.334 -1.624 5.101 1.00 0.00 H new ATOM 259 N TYR A 20 2.802 -4.383 3.770 1.00 0.00 N ATOM 260 CA TYR A 20 2.113 -5.431 4.514 1.00 0.00 C ATOM 261 C TYR A 20 1.630 -4.913 5.865 1.00 0.00 C ATOM 262 O TYR A 20 2.418 -4.750 6.797 1.00 0.00 O ATOM 263 CB TYR A 20 3.036 -6.633 4.716 1.00 0.00 C ATOM 264 CG TYR A 20 3.593 -7.192 3.426 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.749 -7.590 2.397 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.963 -7.324 3.238 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.254 -8.102 1.217 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.477 -7.833 2.061 1.00 0.00 C ATOM 269 CZ TYR A 20 4.618 -8.221 1.054 1.00 0.00 C ATOM 270 OH TYR A 20 5.125 -8.731 -0.120 1.00 0.00 O ATOM 0 H TYR A 20 3.803 -4.538 3.652 1.00 0.00 H new ATOM 0 HA TYR A 20 1.244 -5.742 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.863 -6.341 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.487 -7.419 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.680 -7.498 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.638 -7.023 4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.584 -8.407 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.545 -7.927 1.930 1.00 0.00 H new ATOM 0 HH TYR A 20 4.559 -9.470 -0.427 1.00 0.00 H new ATOM 280 N ALA A 21 0.330 -4.656 5.963 1.00 0.00 N ATOM 281 CA ALA A 21 -0.259 -4.159 7.201 1.00 0.00 C ATOM 282 C ALA A 21 0.461 -4.727 8.419 1.00 0.00 C ATOM 283 O ALA A 21 0.857 -5.893 8.432 1.00 0.00 O ATOM 284 CB ALA A 21 -1.741 -4.501 7.254 1.00 0.00 C ATOM 0 H ALA A 21 -0.335 -4.784 5.201 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.146 -3.075 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.168 -4.124 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.251 -4.041 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.867 -5.583 7.209 1.00 0.00 H new ATOM 290 N LYS A 22 0.630 -3.896 9.442 1.00 0.00 N ATOM 291 CA LYS A 22 1.302 -4.314 10.666 1.00 0.00 C ATOM 292 C LYS A 22 0.315 -4.953 11.637 1.00 0.00 C ATOM 293 O LYS A 22 0.608 -5.981 12.249 1.00 0.00 O ATOM 294 CB LYS A 22 1.987 -3.118 11.330 1.00 0.00 C ATOM 295 CG LYS A 22 3.399 -2.870 10.830 1.00 0.00 C ATOM 296 CD LYS A 22 4.302 -2.358 11.939 1.00 0.00 C ATOM 297 CE LYS A 22 5.019 -3.499 12.645 1.00 0.00 C ATOM 298 NZ LYS A 22 5.387 -3.142 14.043 1.00 0.00 N ATOM 0 H LYS A 22 0.310 -2.927 9.447 1.00 0.00 H new ATOM 0 HA LYS A 22 2.056 -5.056 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.387 -2.224 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.015 -3.279 12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.809 -3.794 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.375 -2.146 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.036 -1.668 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.710 -1.796 12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.379 -4.381 12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.919 -3.762 12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.873 -3.945 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.018 -2.316 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.527 -2.915 14.581 1.00 0.00 H new ATOM 312 N SER A 23 -0.856 -4.339 11.774 1.00 0.00 N ATOM 313 CA SER A 23 -1.885 -4.847 12.673 1.00 0.00 C ATOM 314 C SER A 23 -3.278 -4.594 12.103 1.00 0.00 C ATOM 315 O SER A 23 -3.511 -3.595 11.424 1.00 0.00 O ATOM 316 CB SER A 23 -1.759 -4.191 14.050 1.00 0.00 C ATOM 317 OG SER A 23 -0.437 -4.301 14.548 1.00 0.00 O ATOM 0 H SER A 23 -1.116 -3.489 11.274 1.00 0.00 H new ATOM 0 HA SER A 23 -1.743 -5.923 12.776 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.039 -3.140 13.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.453 -4.662 14.746 1.00 0.00 H new ATOM 0 HG SER A 23 -0.382 -3.873 15.428 1.00 0.00 H new ATOM 323 N GLY A 24 -4.200 -5.509 12.384 1.00 0.00 N ATOM 324 CA GLY A 24 -5.558 -5.369 11.892 1.00 0.00 C ATOM 325 C GLY A 24 -6.373 -4.387 12.711 1.00 0.00 C ATOM 326 O GLY A 24 -7.321 -4.774 13.393 1.00 0.00 O ATOM 0 H GLY A 24 -4.031 -6.345 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.533 -5.038 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.048 -6.343 11.905 1.00 0.00 H new ATOM 330 N ARG A 25 -6.002 -3.112 12.644 1.00 0.00 N ATOM 331 CA ARG A 25 -6.703 -2.073 13.388 1.00 0.00 C ATOM 332 C ARG A 25 -7.259 -1.010 12.443 1.00 0.00 C ATOM 333 O ARG A 25 -8.375 -0.525 12.627 1.00 0.00 O ATOM 334 CB ARG A 25 -5.765 -1.424 14.407 1.00 0.00 C ATOM 335 CG ARG A 25 -4.637 -0.624 13.774 1.00 0.00 C ATOM 336 CD ARG A 25 -5.038 0.826 13.554 1.00 0.00 C ATOM 337 NE ARG A 25 -4.257 1.454 12.492 1.00 0.00 N ATOM 338 CZ ARG A 25 -4.472 2.690 12.054 1.00 0.00 C ATOM 339 NH1 ARG A 25 -5.439 3.426 12.585 1.00 0.00 N ATOM 340 NH2 ARG A 25 -3.719 3.192 11.084 1.00 0.00 N ATOM 0 H ARG A 25 -5.220 -2.774 12.082 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.536 -2.538 13.916 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.345 -0.768 15.056 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.337 -2.201 15.041 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.756 -0.666 14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.360 -1.075 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.097 0.875 13.302 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.904 1.384 14.481 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.505 0.914 12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.020 3.044 13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.602 4.374 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.974 2.629 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.885 4.141 10.749 1.00 0.00 H new ATOM 354 N ALA A 26 -6.472 -0.654 11.433 1.00 0.00 N ATOM 355 CA ALA A 26 -6.886 0.349 10.460 1.00 0.00 C ATOM 356 C ALA A 26 -8.075 -0.140 9.639 1.00 0.00 C ATOM 357 O ALA A 26 -8.008 -1.187 8.995 1.00 0.00 O ATOM 358 CB ALA A 26 -5.724 0.709 9.546 1.00 0.00 C ATOM 0 H ALA A 26 -5.545 -1.045 11.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.196 1.241 11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.048 1.459 8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.903 1.109 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.388 -0.183 9.017 1.00 0.00 H new ATOM 364 N SER A 27 -9.162 0.624 9.668 1.00 0.00 N ATOM 365 CA SER A 27 -10.368 0.266 8.930 1.00 0.00 C ATOM 366 C SER A 27 -10.267 0.712 7.475 1.00 0.00 C ATOM 367 O SER A 27 -9.339 1.427 7.095 1.00 0.00 O ATOM 368 CB SER A 27 -11.598 0.898 9.585 1.00 0.00 C ATOM 369 OG SER A 27 -11.690 0.536 10.952 1.00 0.00 O ATOM 0 H SER A 27 -9.233 1.495 10.194 1.00 0.00 H new ATOM 0 HA SER A 27 -10.470 -0.819 8.953 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.544 1.983 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.498 0.579 9.060 1.00 0.00 H new ATOM 0 HG SER A 27 -12.483 0.954 11.348 1.00 0.00 H new ATOM 375 N CYS A 28 -11.228 0.285 6.663 1.00 0.00 N ATOM 376 CA CYS A 28 -11.249 0.638 5.249 1.00 0.00 C ATOM 377 C CYS A 28 -12.231 1.777 4.987 1.00 0.00 C ATOM 378 O CYS A 28 -13.353 1.772 5.493 1.00 0.00 O ATOM 379 CB CYS A 28 -11.627 -0.580 4.403 1.00 0.00 C ATOM 380 SG CYS A 28 -11.643 -0.263 2.609 1.00 0.00 S ATOM 0 H CYS A 28 -12.003 -0.307 6.961 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.250 0.971 4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.924 -1.387 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.613 -0.929 4.708 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.937 0.798 2.349 1.00 0.00 H new ATOM 385 N LYS A 29 -11.800 2.751 4.194 1.00 0.00 N ATOM 386 CA LYS A 29 -12.639 3.896 3.862 1.00 0.00 C ATOM 387 C LYS A 29 -13.430 3.639 2.584 1.00 0.00 C ATOM 388 O LYS A 29 -13.771 4.571 1.854 1.00 0.00 O ATOM 389 CB LYS A 29 -11.782 5.153 3.700 1.00 0.00 C ATOM 390 CG LYS A 29 -11.315 5.745 5.019 1.00 0.00 C ATOM 391 CD LYS A 29 -12.460 6.398 5.774 1.00 0.00 C ATOM 392 CE LYS A 29 -12.031 6.842 7.164 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.174 6.861 8.118 1.00 0.00 N ATOM 0 H LYS A 29 -10.873 2.771 3.769 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.343 4.047 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.911 4.913 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.354 5.905 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.873 4.961 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.534 6.482 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.823 7.258 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.290 5.697 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.258 6.170 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.589 7.837 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.840 7.169 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.901 7.521 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.580 5.906 8.192 1.00 0.00 H new ATOM 407 N LYS A 30 -13.721 2.370 2.319 1.00 0.00 N ATOM 408 CA LYS A 30 -14.475 1.990 1.130 1.00 0.00 C ATOM 409 C LYS A 30 -15.581 1.000 1.480 1.00 0.00 C ATOM 410 O LYS A 30 -16.751 1.224 1.168 1.00 0.00 O ATOM 411 CB LYS A 30 -13.541 1.378 0.083 1.00 0.00 C ATOM 412 CG LYS A 30 -14.272 0.756 -1.095 1.00 0.00 C ATOM 413 CD LYS A 30 -14.623 1.796 -2.145 1.00 0.00 C ATOM 414 CE LYS A 30 -15.877 1.409 -2.915 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.113 1.656 -2.123 1.00 0.00 N ATOM 0 H LYS A 30 -13.446 1.587 2.912 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.933 2.889 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.866 2.151 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.924 0.617 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.650 -0.019 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.182 0.270 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.773 2.763 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.790 1.910 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.922 1.977 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.825 0.355 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.856 0.993 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.911 1.516 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.437 2.632 -2.280 1.00 0.00 H new ATOM 429 N CYS A 31 -15.204 -0.095 2.132 1.00 0.00 N ATOM 430 CA CYS A 31 -16.163 -1.120 2.526 1.00 0.00 C ATOM 431 C CYS A 31 -16.364 -1.123 4.039 1.00 0.00 C ATOM 432 O CYS A 31 -16.905 -2.075 4.601 1.00 0.00 O ATOM 433 CB CYS A 31 -15.690 -2.498 2.060 1.00 0.00 C ATOM 434 SG CYS A 31 -14.173 -3.080 2.883 1.00 0.00 S ATOM 0 H CYS A 31 -14.240 -0.295 2.399 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.117 -0.892 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.486 -3.222 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.518 -2.467 0.984 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.263 -2.154 2.821 1.00 0.00 H new ATOM 439 N SER A 32 -15.924 -0.052 4.691 1.00 0.00 N ATOM 440 CA SER A 32 -16.052 0.067 6.139 1.00 0.00 C ATOM 441 C SER A 32 -15.766 -1.267 6.821 1.00 0.00 C ATOM 442 O SER A 32 -16.586 -1.772 7.587 1.00 0.00 O ATOM 443 CB SER A 32 -17.454 0.553 6.510 1.00 0.00 C ATOM 444 OG SER A 32 -17.594 1.942 6.268 1.00 0.00 O ATOM 0 H SER A 32 -15.476 0.746 4.240 1.00 0.00 H new ATOM 0 HA SER A 32 -15.319 0.796 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.197 0.004 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.649 0.343 7.562 1.00 0.00 H new ATOM 0 HG SER A 32 -18.499 2.227 6.512 1.00 0.00 H new ATOM 450 N GLU A 33 -14.597 -1.832 6.537 1.00 0.00 N ATOM 451 CA GLU A 33 -14.203 -3.108 7.122 1.00 0.00 C ATOM 452 C GLU A 33 -12.915 -2.962 7.928 1.00 0.00 C ATOM 453 O GLU A 33 -12.295 -1.899 7.941 1.00 0.00 O ATOM 454 CB GLU A 33 -14.017 -4.160 6.028 1.00 0.00 C ATOM 455 CG GLU A 33 -15.324 -4.664 5.438 1.00 0.00 C ATOM 456 CD GLU A 33 -15.861 -5.881 6.165 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.482 -7.011 5.792 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.661 -5.704 7.108 1.00 0.00 O ATOM 0 H GLU A 33 -13.906 -1.426 5.905 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.997 -3.431 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.407 -3.737 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.464 -5.005 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.066 -3.867 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.173 -4.911 4.387 1.00 0.00 H new ATOM 465 N SER A 34 -12.520 -4.039 8.599 1.00 0.00 N ATOM 466 CA SER A 34 -11.308 -4.031 9.411 1.00 0.00 C ATOM 467 C SER A 34 -10.151 -4.689 8.666 1.00 0.00 C ATOM 468 O SER A 34 -10.043 -5.915 8.623 1.00 0.00 O ATOM 469 CB SER A 34 -11.553 -4.755 10.737 1.00 0.00 C ATOM 470 OG SER A 34 -12.032 -6.070 10.519 1.00 0.00 O ATOM 0 H SER A 34 -13.021 -4.928 8.597 1.00 0.00 H new ATOM 0 HA SER A 34 -11.043 -2.993 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.627 -4.792 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.275 -4.196 11.332 1.00 0.00 H new ATOM 0 HG SER A 34 -11.535 -6.481 9.781 1.00 0.00 H new ATOM 476 N ILE A 35 -9.288 -3.865 8.082 1.00 0.00 N ATOM 477 CA ILE A 35 -8.137 -4.365 7.340 1.00 0.00 C ATOM 478 C ILE A 35 -7.420 -5.466 8.114 1.00 0.00 C ATOM 479 O ILE A 35 -7.009 -5.286 9.261 1.00 0.00 O ATOM 480 CB ILE A 35 -7.136 -3.238 7.025 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.768 -2.214 6.079 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.865 -3.813 6.419 1.00 0.00 C ATOM 483 CD1 ILE A 35 -6.932 -0.967 5.893 1.00 0.00 C ATOM 0 H ILE A 35 -9.364 -2.848 8.108 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.518 -4.772 6.404 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.876 -2.733 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.931 -2.681 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.747 -1.931 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.167 -3.004 6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.408 -4.507 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.108 -4.340 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.441 -0.286 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.791 -0.477 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.961 -1.238 5.478 1.00 0.00 H new ATOM 495 N PRO A 36 -7.262 -6.634 7.474 1.00 0.00 N ATOM 496 CA PRO A 36 -6.592 -7.786 8.082 1.00 0.00 C ATOM 497 C PRO A 36 -5.092 -7.563 8.248 1.00 0.00 C ATOM 498 O PRO A 36 -4.465 -6.869 7.448 1.00 0.00 O ATOM 499 CB PRO A 36 -6.857 -8.918 7.086 1.00 0.00 C ATOM 500 CG PRO A 36 -7.069 -8.232 5.781 1.00 0.00 C ATOM 501 CD PRO A 36 -7.727 -6.919 6.106 1.00 0.00 C ATOM 0 HA PRO A 36 -6.962 -7.989 9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.015 -9.608 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.732 -9.501 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.122 -8.077 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.698 -8.831 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.428 -6.136 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.814 -6.991 6.058 1.00 0.00 H new ATOM 509 N LYS A 37 -4.523 -8.156 9.292 1.00 0.00 N ATOM 510 CA LYS A 37 -3.096 -8.024 9.563 1.00 0.00 C ATOM 511 C LYS A 37 -2.271 -8.733 8.494 1.00 0.00 C ATOM 512 O LYS A 37 -2.798 -9.530 7.717 1.00 0.00 O ATOM 513 CB LYS A 37 -2.763 -8.597 10.943 1.00 0.00 C ATOM 514 CG LYS A 37 -1.316 -8.388 11.355 1.00 0.00 C ATOM 515 CD LYS A 37 -1.056 -8.905 12.760 1.00 0.00 C ATOM 516 CE LYS A 37 0.432 -8.948 13.071 1.00 0.00 C ATOM 517 NZ LYS A 37 1.046 -10.242 12.663 1.00 0.00 N ATOM 0 H LYS A 37 -5.028 -8.733 9.965 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.845 -6.963 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.414 -8.135 11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.982 -9.665 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.659 -8.899 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.072 -7.327 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.562 -8.266 13.484 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.480 -9.904 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.935 -8.129 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.584 -8.794 14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.061 -10.232 12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.584 -11.022 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.923 -10.377 11.639 1.00 0.00 H new ATOM 531 N ASP A 38 -0.976 -8.440 8.461 1.00 0.00 N ATOM 532 CA ASP A 38 -0.078 -9.052 7.488 1.00 0.00 C ATOM 533 C ASP A 38 -0.758 -9.185 6.129 1.00 0.00 C ATOM 534 O ASP A 38 -0.723 -10.247 5.508 1.00 0.00 O ATOM 535 CB ASP A 38 0.381 -10.426 7.980 1.00 0.00 C ATOM 536 CG ASP A 38 -0.767 -11.408 8.107 1.00 0.00 C ATOM 537 OD1 ASP A 38 -1.553 -11.281 9.070 1.00 0.00 O ATOM 538 OD2 ASP A 38 -0.880 -12.302 7.243 1.00 0.00 O ATOM 0 H ASP A 38 -0.524 -7.783 9.097 1.00 0.00 H new ATOM 0 HA ASP A 38 0.792 -8.405 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.123 -10.827 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.871 -10.317 8.947 1.00 0.00 H new ATOM 543 N SER A 39 -1.376 -8.099 5.674 1.00 0.00 N ATOM 544 CA SER A 39 -2.068 -8.096 4.390 1.00 0.00 C ATOM 545 C SER A 39 -1.610 -6.923 3.529 1.00 0.00 C ATOM 546 O SER A 39 -1.156 -5.900 4.044 1.00 0.00 O ATOM 547 CB SER A 39 -3.582 -8.027 4.604 1.00 0.00 C ATOM 548 OG SER A 39 -3.992 -6.708 4.921 1.00 0.00 O ATOM 0 H SER A 39 -1.412 -7.211 6.175 1.00 0.00 H new ATOM 0 HA SER A 39 -1.823 -9.022 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.096 -8.364 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.870 -8.704 5.408 1.00 0.00 H new ATOM 0 HG SER A 39 -3.896 -6.558 5.885 1.00 0.00 H new ATOM 554 N LEU A 40 -1.733 -7.079 2.216 1.00 0.00 N ATOM 555 CA LEU A 40 -1.332 -6.033 1.281 1.00 0.00 C ATOM 556 C LEU A 40 -2.401 -4.948 1.186 1.00 0.00 C ATOM 557 O LEU A 40 -3.503 -5.190 0.694 1.00 0.00 O ATOM 558 CB LEU A 40 -1.072 -6.631 -0.103 1.00 0.00 C ATOM 559 CG LEU A 40 -0.413 -5.702 -1.123 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.998 -5.343 -0.684 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.397 -6.347 -2.501 1.00 0.00 C ATOM 0 H LEU A 40 -2.107 -7.919 1.774 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.413 -5.580 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.441 -7.512 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.022 -6.973 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.998 -4.784 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.451 -4.681 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.961 -4.839 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.594 -6.251 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.076 -5.671 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.164 -7.281 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.419 -6.552 -2.819 1.00 0.00 H new ATOM 573 N ARG A 41 -2.066 -3.752 1.659 1.00 0.00 N ATOM 574 CA ARG A 41 -2.996 -2.630 1.627 1.00 0.00 C ATOM 575 C ARG A 41 -2.312 -1.372 1.101 1.00 0.00 C ATOM 576 O ARG A 41 -1.101 -1.356 0.885 1.00 0.00 O ATOM 577 CB ARG A 41 -3.563 -2.370 3.024 1.00 0.00 C ATOM 578 CG ARG A 41 -2.498 -2.080 4.069 1.00 0.00 C ATOM 579 CD ARG A 41 -3.117 -1.716 5.410 1.00 0.00 C ATOM 580 NE ARG A 41 -2.178 -1.000 6.270 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.276 -0.965 7.594 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.264 -1.601 8.207 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.383 -0.291 8.308 1.00 0.00 N ATOM 0 H ARG A 41 -1.157 -3.535 2.069 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.813 -2.887 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.252 -1.527 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.142 -3.238 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.857 -2.953 4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.863 -1.263 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.001 -1.099 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.450 -2.623 5.914 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.405 -0.500 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.952 -2.120 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.336 -1.572 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.621 0.200 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.458 -0.264 9.325 1.00 0.00 H new ATOM 597 N MET A 42 -3.097 -0.319 0.898 1.00 0.00 N ATOM 598 CA MET A 42 -2.566 0.944 0.398 1.00 0.00 C ATOM 599 C MET A 42 -2.939 2.096 1.326 1.00 0.00 C ATOM 600 O MET A 42 -3.865 1.984 2.129 1.00 0.00 O ATOM 601 CB MET A 42 -3.092 1.220 -1.012 1.00 0.00 C ATOM 602 CG MET A 42 -2.731 0.139 -2.018 1.00 0.00 C ATOM 603 SD MET A 42 -3.314 0.516 -3.682 1.00 0.00 S ATOM 604 CE MET A 42 -1.852 1.269 -4.391 1.00 0.00 C ATOM 0 H MET A 42 -4.102 -0.315 1.072 1.00 0.00 H new ATOM 0 HA MET A 42 -1.479 0.865 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.177 1.321 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.695 2.174 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.649 0.012 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.158 -0.810 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.055 1.557 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.582 2.153 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.028 0.555 -4.369 1.00 0.00 H new ATOM 614 N ALA A 43 -2.210 3.201 1.211 1.00 0.00 N ATOM 615 CA ALA A 43 -2.465 4.373 2.040 1.00 0.00 C ATOM 616 C ALA A 43 -2.573 5.634 1.188 1.00 0.00 C ATOM 617 O ALA A 43 -1.611 6.036 0.533 1.00 0.00 O ATOM 618 CB ALA A 43 -1.369 4.531 3.083 1.00 0.00 C ATOM 0 H ALA A 43 -1.439 3.309 0.552 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.417 4.227 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.573 5.410 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.341 3.646 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.407 4.651 2.585 1.00 0.00 H new ATOM 624 N ILE A 44 -3.749 6.253 1.202 1.00 0.00 N ATOM 625 CA ILE A 44 -3.981 7.468 0.431 1.00 0.00 C ATOM 626 C ILE A 44 -4.001 8.696 1.335 1.00 0.00 C ATOM 627 O ILE A 44 -4.683 8.715 2.359 1.00 0.00 O ATOM 628 CB ILE A 44 -5.308 7.396 -0.347 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.282 6.228 -1.335 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.567 8.707 -1.075 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.638 5.901 -1.920 1.00 0.00 C ATOM 0 H ILE A 44 -4.555 5.933 1.739 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.158 7.554 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.119 7.230 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.593 6.464 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.890 5.345 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.508 8.641 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.623 9.520 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.755 8.901 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.544 5.064 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.326 5.633 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.023 6.770 -2.453 1.00 0.00 H new ATOM 643 N MET A 45 -3.250 9.722 0.946 1.00 0.00 N ATOM 644 CA MET A 45 -3.184 10.956 1.720 1.00 0.00 C ATOM 645 C MET A 45 -4.254 11.943 1.262 1.00 0.00 C ATOM 646 O MET A 45 -4.232 12.415 0.126 1.00 0.00 O ATOM 647 CB MET A 45 -1.798 11.592 1.589 1.00 0.00 C ATOM 648 CG MET A 45 -0.660 10.641 1.923 1.00 0.00 C ATOM 649 SD MET A 45 -0.931 9.747 3.464 1.00 0.00 S ATOM 650 CE MET A 45 -1.121 11.106 4.616 1.00 0.00 C ATOM 0 H MET A 45 -2.680 9.723 0.100 1.00 0.00 H new ATOM 0 HA MET A 45 -3.366 10.709 2.766 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.669 11.956 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.741 12.459 2.247 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.539 9.926 1.109 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.270 11.205 1.993 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.821 10.783 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.494 11.940 4.301 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.164 11.423 4.636 1.00 0.00 H new ATOM 660 N VAL A 46 -5.190 12.250 2.155 1.00 0.00 N ATOM 661 CA VAL A 46 -6.268 13.180 1.843 1.00 0.00 C ATOM 662 C VAL A 46 -6.441 14.212 2.951 1.00 0.00 C ATOM 663 O VAL A 46 -5.756 14.161 3.972 1.00 0.00 O ATOM 664 CB VAL A 46 -7.603 12.442 1.630 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.567 11.632 0.343 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.913 11.550 2.822 1.00 0.00 C ATOM 0 H VAL A 46 -5.223 11.868 3.100 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.991 13.687 0.919 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.398 13.183 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.519 11.118 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.393 12.299 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.763 10.898 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.860 11.036 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.117 10.815 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.985 12.159 3.723 1.00 0.00 H new ATOM 676 N GLN A 47 -7.362 15.148 2.743 1.00 0.00 N ATOM 677 CA GLN A 47 -7.625 16.192 3.726 1.00 0.00 C ATOM 678 C GLN A 47 -8.915 15.909 4.489 1.00 0.00 C ATOM 679 O GLN A 47 -9.951 15.620 3.891 1.00 0.00 O ATOM 680 CB GLN A 47 -7.714 17.557 3.039 1.00 0.00 C ATOM 681 CG GLN A 47 -7.651 18.729 4.005 1.00 0.00 C ATOM 682 CD GLN A 47 -8.969 18.974 4.712 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.984 18.355 4.390 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.961 19.881 5.683 1.00 0.00 N ATOM 0 H GLN A 47 -7.938 15.204 1.903 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.799 16.203 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.900 17.646 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.645 17.611 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.874 18.542 4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.362 19.628 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.097 20.370 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.819 20.088 6.195 1.00 0.00 H new ATOM 693 N SER A 48 -8.844 15.994 5.814 1.00 0.00 N ATOM 694 CA SER A 48 -10.005 15.743 6.659 1.00 0.00 C ATOM 695 C SER A 48 -10.621 17.053 7.139 1.00 0.00 C ATOM 696 O SER A 48 -9.924 17.997 7.512 1.00 0.00 O ATOM 697 CB SER A 48 -9.610 14.882 7.861 1.00 0.00 C ATOM 698 OG SER A 48 -10.744 14.543 8.640 1.00 0.00 O ATOM 0 H SER A 48 -7.995 16.235 6.325 1.00 0.00 H new ATOM 0 HA SER A 48 -10.747 15.209 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.118 13.973 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.890 15.420 8.477 1.00 0.00 H new ATOM 0 HG SER A 48 -10.465 13.991 9.401 1.00 0.00 H new ATOM 774 N LYS A 54 -3.953 16.571 6.850 1.00 0.00 N ATOM 775 CA LYS A 54 -4.232 15.373 6.067 1.00 0.00 C ATOM 776 C LYS A 54 -4.180 14.126 6.944 1.00 0.00 C ATOM 777 O LYS A 54 -3.447 14.079 7.932 1.00 0.00 O ATOM 778 CB LYS A 54 -3.230 15.243 4.918 1.00 0.00 C ATOM 779 CG LYS A 54 -3.512 16.180 3.756 1.00 0.00 C ATOM 780 CD LYS A 54 -2.468 16.040 2.661 1.00 0.00 C ATOM 781 CE LYS A 54 -2.811 16.897 1.452 1.00 0.00 C ATOM 782 NZ LYS A 54 -3.986 16.363 0.709 1.00 0.00 N ATOM 0 HA LYS A 54 -5.237 15.465 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.227 15.440 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.237 14.215 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.500 15.967 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.530 17.210 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.491 16.330 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.394 14.995 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.019 17.916 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.950 16.945 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.075 16.857 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.856 15.345 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.849 16.513 1.270 1.00 0.00 H new ATOM 796 N VAL A 55 -4.962 13.116 6.576 1.00 0.00 N ATOM 797 CA VAL A 55 -5.003 11.867 7.328 1.00 0.00 C ATOM 798 C VAL A 55 -4.814 10.665 6.408 1.00 0.00 C ATOM 799 O VAL A 55 -5.343 10.614 5.297 1.00 0.00 O ATOM 800 CB VAL A 55 -6.332 11.713 8.089 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.479 12.809 9.134 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.505 11.728 7.121 1.00 0.00 C ATOM 0 H VAL A 55 -5.576 13.138 5.762 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.184 11.903 8.047 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.327 10.752 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.424 12.684 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.655 12.747 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.463 13.783 8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.436 11.618 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.516 12.673 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.404 10.904 6.415 1.00 0.00 H new ATOM 812 N PRO A 56 -4.044 9.674 6.880 1.00 0.00 N ATOM 813 CA PRO A 56 -3.769 8.453 6.117 1.00 0.00 C ATOM 814 C PRO A 56 -5.001 7.564 5.982 1.00 0.00 C ATOM 815 O PRO A 56 -5.572 7.122 6.979 1.00 0.00 O ATOM 816 CB PRO A 56 -2.691 7.751 6.946 1.00 0.00 C ATOM 817 CG PRO A 56 -2.895 8.253 8.334 1.00 0.00 C ATOM 818 CD PRO A 56 -3.383 9.668 8.196 1.00 0.00 C ATOM 0 HA PRO A 56 -3.463 8.672 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.797 6.667 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.692 7.990 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.622 7.640 8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.966 8.214 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.075 9.934 8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.561 10.382 8.236 1.00 0.00 H new ATOM 826 N HIS A 57 -5.405 7.305 4.742 1.00 0.00 N ATOM 827 CA HIS A 57 -6.569 6.467 4.477 1.00 0.00 C ATOM 828 C HIS A 57 -6.145 5.102 3.944 1.00 0.00 C ATOM 829 O HIS A 57 -5.586 4.998 2.852 1.00 0.00 O ATOM 830 CB HIS A 57 -7.500 7.152 3.476 1.00 0.00 C ATOM 831 CG HIS A 57 -8.364 8.211 4.090 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.511 8.687 3.491 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.243 8.885 5.257 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.057 9.610 4.262 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.308 9.748 5.341 1.00 0.00 N ATOM 0 H HIS A 57 -4.944 7.663 3.906 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.103 6.321 5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.901 7.598 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.137 6.400 3.011 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.880 8.375 2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.456 8.766 5.987 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.962 10.159 4.047 1.00 0.00 H new ATOM 843 N TRP A 58 -6.416 4.059 4.720 1.00 0.00 N ATOM 844 CA TRP A 58 -6.062 2.700 4.326 1.00 0.00 C ATOM 845 C TRP A 58 -7.172 2.068 3.494 1.00 0.00 C ATOM 846 O TRP A 58 -8.339 2.081 3.888 1.00 0.00 O ATOM 847 CB TRP A 58 -5.782 1.844 5.562 1.00 0.00 C ATOM 848 CG TRP A 58 -4.691 2.393 6.430 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.842 3.108 7.584 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.281 2.273 6.212 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.611 3.439 8.096 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.637 2.938 7.274 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.499 1.666 5.225 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.250 3.013 7.373 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.123 1.742 5.324 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.510 2.410 6.392 1.00 0.00 C ATOM 0 H TRP A 58 -6.880 4.128 5.626 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.160 2.749 3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.696 1.758 6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.512 0.837 5.244 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.790 3.374 8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.449 3.972 8.950 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.962 1.147 4.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.775 3.529 8.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.510 1.279 4.565 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.568 2.450 6.442 1.00 0.00 H new ATOM 867 N TYR A 59 -6.803 1.515 2.344 1.00 0.00 N ATOM 868 CA TYR A 59 -7.770 0.880 1.457 1.00 0.00 C ATOM 869 C TYR A 59 -7.319 -0.528 1.079 1.00 0.00 C ATOM 870 O TYR A 59 -6.123 -0.810 1.005 1.00 0.00 O ATOM 871 CB TYR A 59 -7.965 1.721 0.194 1.00 0.00 C ATOM 872 CG TYR A 59 -8.761 2.986 0.427 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.150 2.967 0.419 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.123 4.199 0.655 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.881 4.120 0.630 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.846 5.357 0.868 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.225 5.312 0.854 1.00 0.00 C ATOM 878 OH TYR A 59 -10.949 6.463 1.066 1.00 0.00 O ATOM 0 H TYR A 59 -5.841 1.494 2.004 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.719 0.808 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.988 1.986 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.470 1.117 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.667 2.035 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.044 4.237 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.960 4.088 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.335 6.292 1.044 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.907 6.259 1.025 1.00 0.00 H new ATOM 888 N HIS A 60 -8.286 -1.408 0.839 1.00 0.00 N ATOM 889 CA HIS A 60 -7.990 -2.787 0.467 1.00 0.00 C ATOM 890 C HIS A 60 -7.419 -2.857 -0.946 1.00 0.00 C ATOM 891 O HIS A 60 -7.867 -2.145 -1.844 1.00 0.00 O ATOM 892 CB HIS A 60 -9.252 -3.645 0.563 1.00 0.00 C ATOM 893 CG HIS A 60 -9.595 -4.050 1.963 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.743 -3.637 2.606 1.00 0.00 N ATOM 895 CD2 HIS A 60 -8.935 -4.837 2.845 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.773 -4.152 3.823 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.687 -4.884 3.992 1.00 0.00 N ATOM 0 H HIS A 60 -9.281 -1.191 0.895 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.244 -3.173 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.090 -3.093 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.119 -4.541 -0.044 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.457 -3.029 2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.992 -5.335 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.553 -4.000 4.555 1.00 0.00 H new ATOM 905 N PHE A 61 -6.426 -3.721 -1.135 1.00 0.00 N ATOM 906 CA PHE A 61 -5.793 -3.883 -2.438 1.00 0.00 C ATOM 907 C PHE A 61 -6.816 -3.744 -3.562 1.00 0.00 C ATOM 908 O PHE A 61 -6.497 -3.267 -4.651 1.00 0.00 O ATOM 909 CB PHE A 61 -5.102 -5.246 -2.527 1.00 0.00 C ATOM 910 CG PHE A 61 -4.272 -5.417 -3.767 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.321 -4.472 -4.116 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.442 -6.524 -4.583 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.554 -4.627 -5.256 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.679 -6.684 -5.724 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.734 -5.734 -6.061 1.00 0.00 C ATOM 0 H PHE A 61 -6.043 -4.319 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.047 -3.097 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.466 -5.380 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.858 -6.031 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.177 -3.604 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.179 -7.270 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.815 -3.883 -5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.821 -7.551 -6.352 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.137 -5.857 -6.953 1.00 0.00 H new ATOM 925 N SER A 62 -8.046 -4.166 -3.289 1.00 0.00 N ATOM 926 CA SER A 62 -9.116 -4.094 -4.277 1.00 0.00 C ATOM 927 C SER A 62 -9.906 -2.797 -4.128 1.00 0.00 C ATOM 928 O SER A 62 -10.057 -2.035 -5.084 1.00 0.00 O ATOM 929 CB SER A 62 -10.053 -5.295 -4.135 1.00 0.00 C ATOM 930 OG SER A 62 -10.665 -5.315 -2.857 1.00 0.00 O ATOM 0 H SER A 62 -8.327 -4.561 -2.392 1.00 0.00 H new ATOM 0 HA SER A 62 -8.663 -4.112 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.820 -5.256 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.493 -6.217 -4.288 1.00 0.00 H new ATOM 0 HG SER A 62 -11.260 -6.091 -2.791 1.00 0.00 H new ATOM 936 N CYS A 63 -10.409 -2.554 -2.923 1.00 0.00 N ATOM 937 CA CYS A 63 -11.185 -1.351 -2.646 1.00 0.00 C ATOM 938 C CYS A 63 -10.512 -0.120 -3.247 1.00 0.00 C ATOM 939 O CYS A 63 -11.156 0.687 -3.918 1.00 0.00 O ATOM 940 CB CYS A 63 -11.357 -1.166 -1.137 1.00 0.00 C ATOM 941 SG CYS A 63 -12.517 -2.343 -0.371 1.00 0.00 S ATOM 0 H CYS A 63 -10.293 -3.175 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.167 -1.468 -3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.384 -1.266 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.705 -0.151 -0.943 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.627 -2.081 0.898 1.00 0.00 H new ATOM 946 N PHE A 64 -9.214 0.017 -3.002 1.00 0.00 N ATOM 947 CA PHE A 64 -8.453 1.150 -3.518 1.00 0.00 C ATOM 948 C PHE A 64 -8.748 1.373 -4.998 1.00 0.00 C ATOM 949 O PHE A 64 -8.740 2.506 -5.480 1.00 0.00 O ATOM 950 CB PHE A 64 -6.954 0.920 -3.314 1.00 0.00 C ATOM 951 CG PHE A 64 -6.099 2.026 -3.863 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.917 2.166 -5.230 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.477 2.926 -3.013 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.129 3.182 -5.737 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.689 3.944 -3.514 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.515 4.073 -4.878 1.00 0.00 C ATOM 0 H PHE A 64 -8.666 -0.642 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.755 2.041 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.753 0.811 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.670 -0.019 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.396 1.474 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.610 2.831 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.993 3.279 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.210 4.638 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.900 4.869 -5.272 1.00 0.00 H new ATOM 966 N TRP A 65 -9.008 0.285 -5.714 1.00 0.00 N ATOM 967 CA TRP A 65 -9.306 0.362 -7.140 1.00 0.00 C ATOM 968 C TRP A 65 -10.793 0.599 -7.374 1.00 0.00 C ATOM 969 O TRP A 65 -11.185 1.239 -8.351 1.00 0.00 O ATOM 970 CB TRP A 65 -8.865 -0.922 -7.844 1.00 0.00 C ATOM 971 CG TRP A 65 -7.419 -1.253 -7.625 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.916 -2.371 -7.024 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.291 -0.457 -8.005 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.543 -2.318 -7.007 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.135 -1.155 -7.603 1.00 0.00 C ATOM 976 CE3 TRP A 65 -6.145 0.776 -8.646 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.853 -0.658 -7.821 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.872 1.267 -8.862 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.739 0.551 -8.452 1.00 0.00 C ATOM 0 H TRP A 65 -9.019 -0.660 -5.331 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.753 1.205 -7.556 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.478 -1.751 -7.490 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.050 -0.823 -8.914 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.510 -3.178 -6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.927 -3.030 -6.614 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.012 1.335 -8.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.979 -1.207 -7.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.748 2.220 -9.356 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.757 0.961 -8.638 1.00 0.00 H new ATOM 990 N LYS A 66 -11.620 0.081 -6.472 1.00 0.00 N ATOM 991 CA LYS A 66 -13.066 0.237 -6.579 1.00 0.00 C ATOM 992 C LYS A 66 -13.448 1.711 -6.678 1.00 0.00 C ATOM 993 O LYS A 66 -14.177 2.114 -7.584 1.00 0.00 O ATOM 994 CB LYS A 66 -13.759 -0.401 -5.374 1.00 0.00 C ATOM 995 CG LYS A 66 -13.450 -1.879 -5.206 1.00 0.00 C ATOM 996 CD LYS A 66 -14.276 -2.732 -6.155 1.00 0.00 C ATOM 997 CE LYS A 66 -14.224 -4.202 -5.771 1.00 0.00 C ATOM 998 NZ LYS A 66 -12.934 -4.833 -6.166 1.00 0.00 N ATOM 0 H LYS A 66 -11.313 -0.451 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.395 -0.267 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.459 0.129 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.837 -0.273 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.390 -2.053 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.650 -2.179 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.311 -2.389 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.907 -2.607 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.362 -4.301 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.049 -4.731 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.764 -5.673 -5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.977 -5.115 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.159 -4.153 -6.031 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.949 2.511 -5.740 1.00 0.00 N ATOM 1013 CA VAL A 67 -13.236 3.940 -5.723 1.00 0.00 C ATOM 1014 C VAL A 67 -12.900 4.584 -7.063 1.00 0.00 C ATOM 1015 O VAL A 67 -13.613 5.469 -7.534 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.449 4.657 -4.609 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -13.003 4.288 -3.242 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.969 4.321 -4.703 1.00 0.00 C ATOM 0 H VAL A 67 -12.344 2.193 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.303 4.046 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.563 5.733 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.435 4.804 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -14.050 4.584 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.922 3.211 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.428 4.836 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.833 3.245 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.584 4.641 -5.671 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.809 4.133 -7.673 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.397 4.676 -8.955 1.00 0.00 C ATOM 1030 C GLY A 68 -10.137 5.513 -8.852 1.00 0.00 C ATOM 1031 O GLY A 68 -10.078 6.626 -9.375 1.00 0.00 O ATOM 0 H GLY A 68 -11.202 3.401 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.230 3.858 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.203 5.286 -9.363 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.127 4.977 -8.174 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.862 5.683 -8.004 1.00 0.00 C ATOM 1037 C HIS A 69 -6.801 5.135 -8.954 1.00 0.00 C ATOM 1038 O HIS A 69 -6.004 4.274 -8.580 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.378 5.564 -6.558 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.922 6.629 -5.655 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.119 7.452 -4.893 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.196 7.005 -5.397 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.876 8.286 -4.204 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -9.141 8.036 -4.491 1.00 0.00 N ATOM 0 H HIS A 69 -9.160 4.057 -7.734 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.027 6.734 -8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.663 4.587 -6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.289 5.608 -6.543 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.090 6.575 -5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.521 9.044 -3.521 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.946 8.528 -4.103 1.00 0.00 H new ATOM 1052 N SER A 70 -6.798 5.639 -10.184 1.00 0.00 N ATOM 1053 CA SER A 70 -5.838 5.196 -11.188 1.00 0.00 C ATOM 1054 C SER A 70 -4.417 5.581 -10.789 1.00 0.00 C ATOM 1055 O SER A 70 -4.210 6.517 -10.016 1.00 0.00 O ATOM 1056 CB SER A 70 -6.179 5.802 -12.551 1.00 0.00 C ATOM 1057 OG SER A 70 -5.704 7.133 -12.651 1.00 0.00 O ATOM 0 H SER A 70 -7.449 6.354 -10.509 1.00 0.00 H new ATOM 0 HA SER A 70 -5.895 4.110 -11.256 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.739 5.195 -13.342 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.259 5.786 -12.700 1.00 0.00 H new ATOM 0 HG SER A 70 -5.933 7.497 -13.532 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.442 4.852 -11.322 1.00 0.00 N ATOM 1064 CA ILE A 71 -2.040 5.118 -11.023 1.00 0.00 C ATOM 1065 C ILE A 71 -1.155 4.818 -12.227 1.00 0.00 C ATOM 1066 O ILE A 71 -1.118 3.690 -12.719 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.554 4.285 -9.822 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.391 4.600 -8.581 1.00 0.00 C ATOM 1069 CG2 ILE A 71 -0.080 4.551 -9.555 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.202 3.608 -7.456 1.00 0.00 C ATOM 0 H ILE A 71 -3.597 4.073 -11.962 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.965 6.177 -10.775 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.676 3.228 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.133 5.597 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.444 4.624 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.249 3.955 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.504 4.280 -10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.065 5.609 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.826 3.895 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.487 2.613 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.156 3.600 -7.149 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.441 5.835 -12.698 1.00 0.00 N ATOM 1083 CA ARG A 72 0.446 5.681 -13.845 1.00 0.00 C ATOM 1084 C ARG A 72 1.557 4.680 -13.542 1.00 0.00 C ATOM 1085 O ARG A 72 1.579 3.577 -14.089 1.00 0.00 O ATOM 1086 CB ARG A 72 1.052 7.031 -14.233 1.00 0.00 C ATOM 1087 CG ARG A 72 0.036 8.022 -14.775 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.562 7.544 -16.089 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.262 8.615 -16.793 1.00 0.00 N ATOM 1090 CZ ARG A 72 -0.670 9.444 -17.645 1.00 0.00 C ATOM 1091 NH1 ARG A 72 0.627 9.326 -17.898 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -1.374 10.394 -18.247 1.00 0.00 N ATOM 0 H ARG A 72 -0.459 6.775 -12.303 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.143 5.302 -14.680 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.540 7.465 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.826 6.870 -14.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.759 8.167 -14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.514 8.991 -14.922 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.230 7.149 -16.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.254 6.724 -15.896 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.260 8.733 -16.621 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.172 8.597 -17.438 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.079 9.964 -18.553 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.371 10.488 -18.056 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.918 11.030 -18.901 1.00 0.00 H new ATOM 1106 N HIS A 73 2.478 5.073 -12.668 1.00 0.00 N ATOM 1107 CA HIS A 73 3.593 4.210 -12.293 1.00 0.00 C ATOM 1108 C HIS A 73 3.621 3.984 -10.784 1.00 0.00 C ATOM 1109 O HIS A 73 4.229 4.744 -10.030 1.00 0.00 O ATOM 1110 CB HIS A 73 4.916 4.821 -12.754 1.00 0.00 C ATOM 1111 CG HIS A 73 4.866 5.380 -14.143 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.504 6.547 -14.508 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.251 4.924 -15.259 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.281 6.785 -15.788 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.524 5.815 -16.267 1.00 0.00 N ATOM 0 H HIS A 73 2.475 5.983 -12.206 1.00 0.00 H new ATOM 0 HA HIS A 73 3.456 3.247 -12.784 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.201 5.614 -12.062 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.695 4.060 -12.705 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.656 4.026 -15.341 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.654 7.630 -16.348 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.195 5.740 -17.230 1.00 0.00 H new ATOM 1123 N PRO A 74 2.948 2.916 -10.332 1.00 0.00 N ATOM 1124 CA PRO A 74 2.881 2.567 -8.910 1.00 0.00 C ATOM 1125 C PRO A 74 4.219 2.074 -8.370 1.00 0.00 C ATOM 1126 O PRO A 74 4.381 1.884 -7.164 1.00 0.00 O ATOM 1127 CB PRO A 74 1.842 1.444 -8.869 1.00 0.00 C ATOM 1128 CG PRO A 74 1.883 0.840 -10.231 1.00 0.00 C ATOM 1129 CD PRO A 74 2.200 1.967 -11.174 1.00 0.00 C ATOM 0 HA PRO A 74 2.624 3.427 -8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.084 0.708 -8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.850 1.831 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.640 0.058 -10.289 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.928 0.378 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.795 1.627 -12.022 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.295 2.418 -11.580 1.00 0.00 H new ATOM 1137 N ASP A 75 5.175 1.869 -9.270 1.00 0.00 N ATOM 1138 CA ASP A 75 6.501 1.400 -8.883 1.00 0.00 C ATOM 1139 C ASP A 75 7.289 2.508 -8.192 1.00 0.00 C ATOM 1140 O ASP A 75 8.086 2.247 -7.290 1.00 0.00 O ATOM 1141 CB ASP A 75 7.266 0.901 -10.110 1.00 0.00 C ATOM 1142 CG ASP A 75 7.361 1.951 -11.199 1.00 0.00 C ATOM 1143 OD1 ASP A 75 6.426 2.039 -12.023 1.00 0.00 O ATOM 1144 OD2 ASP A 75 8.370 2.686 -11.228 1.00 0.00 O ATOM 0 H ASP A 75 5.057 2.020 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 75 6.378 0.575 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.270 0.600 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.772 0.014 -10.507 1.00 0.00 H new ATOM 1149 N VAL A 76 7.063 3.745 -8.622 1.00 0.00 N ATOM 1150 CA VAL A 76 7.752 4.893 -8.044 1.00 0.00 C ATOM 1151 C VAL A 76 6.772 5.824 -7.339 1.00 0.00 C ATOM 1152 O VAL A 76 7.136 6.521 -6.392 1.00 0.00 O ATOM 1153 CB VAL A 76 8.516 5.688 -9.120 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.707 4.891 -9.628 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.587 6.063 -10.265 1.00 0.00 C ATOM 0 H VAL A 76 6.408 3.978 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 76 8.464 4.503 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 76 8.890 6.608 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.234 5.469 -10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.383 4.679 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.359 3.954 -10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.143 6.624 -11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.181 5.157 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.770 6.677 -9.885 1.00 0.00 H new ATOM 1165 N GLU A 77 5.528 5.831 -7.808 1.00 0.00 N ATOM 1166 CA GLU A 77 4.496 6.678 -7.222 1.00 0.00 C ATOM 1167 C GLU A 77 4.027 6.116 -5.883 1.00 0.00 C ATOM 1168 O GLU A 77 3.964 6.832 -4.884 1.00 0.00 O ATOM 1169 CB GLU A 77 3.308 6.809 -8.178 1.00 0.00 C ATOM 1170 CG GLU A 77 3.617 7.621 -9.424 1.00 0.00 C ATOM 1171 CD GLU A 77 2.375 7.940 -10.235 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.622 6.999 -10.562 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.157 9.130 -10.541 1.00 0.00 O ATOM 0 H GLU A 77 5.211 5.260 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 77 4.926 7.665 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.980 5.813 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.476 7.273 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.107 8.551 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.322 7.070 -10.047 1.00 0.00 H new ATOM 1180 N VAL A 78 3.697 4.828 -5.872 1.00 0.00 N ATOM 1181 CA VAL A 78 3.233 4.168 -4.657 1.00 0.00 C ATOM 1182 C VAL A 78 4.406 3.688 -3.811 1.00 0.00 C ATOM 1183 O VAL A 78 5.062 2.701 -4.144 1.00 0.00 O ATOM 1184 CB VAL A 78 2.323 2.969 -4.983 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.909 2.252 -3.707 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.103 3.424 -5.769 1.00 0.00 C ATOM 0 H VAL A 78 3.742 4.221 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 78 2.661 4.905 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 78 2.883 2.267 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.266 1.408 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.797 1.891 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.367 2.943 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.471 2.564 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.539 4.146 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.423 3.889 -6.702 1.00 0.00 H new ATOM 1196 N ASP A 79 4.665 4.392 -2.715 1.00 0.00 N ATOM 1197 CA ASP A 79 5.759 4.036 -1.818 1.00 0.00 C ATOM 1198 C ASP A 79 5.629 2.591 -1.348 1.00 0.00 C ATOM 1199 O ASP A 79 4.551 2.000 -1.415 1.00 0.00 O ATOM 1200 CB ASP A 79 5.786 4.977 -0.613 1.00 0.00 C ATOM 1201 CG ASP A 79 7.074 4.869 0.178 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.130 4.613 -0.439 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.027 5.040 1.414 1.00 0.00 O ATOM 0 H ASP A 79 4.133 5.213 -2.426 1.00 0.00 H new ATOM 0 HA ASP A 79 6.694 4.137 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.658 6.004 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.943 4.751 0.039 1.00 0.00 H new ATOM 1208 N GLY A 80 6.735 2.026 -0.873 1.00 0.00 N ATOM 1209 CA GLY A 80 6.723 0.654 -0.400 1.00 0.00 C ATOM 1210 C GLY A 80 6.824 -0.350 -1.531 1.00 0.00 C ATOM 1211 O GLY A 80 7.484 -1.381 -1.398 1.00 0.00 O ATOM 0 H GLY A 80 7.639 2.494 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.553 0.504 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.806 0.474 0.161 1.00 0.00 H new ATOM 1215 N PHE A 81 6.167 -0.050 -2.647 1.00 0.00 N ATOM 1216 CA PHE A 81 6.184 -0.936 -3.805 1.00 0.00 C ATOM 1217 C PHE A 81 7.543 -1.615 -3.951 1.00 0.00 C ATOM 1218 O PHE A 81 7.630 -2.839 -4.054 1.00 0.00 O ATOM 1219 CB PHE A 81 5.854 -0.153 -5.077 1.00 0.00 C ATOM 1220 CG PHE A 81 6.057 -0.944 -6.338 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.334 -1.228 -6.795 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.971 -1.404 -7.066 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.524 -1.956 -7.955 1.00 0.00 C ATOM 1224 CE2 PHE A 81 5.155 -2.132 -8.226 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.433 -2.408 -8.671 1.00 0.00 C ATOM 0 H PHE A 81 5.617 0.799 -2.774 1.00 0.00 H new ATOM 0 HA PHE A 81 5.427 -1.706 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.817 0.181 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.476 0.742 -5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.191 -0.877 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.969 -1.191 -6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.524 -2.171 -8.301 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.300 -2.485 -8.784 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.579 -2.976 -9.578 1.00 0.00 H new ATOM 1235 N SER A 82 8.602 -0.812 -3.959 1.00 0.00 N ATOM 1236 CA SER A 82 9.956 -1.333 -4.097 1.00 0.00 C ATOM 1237 C SER A 82 10.253 -2.366 -3.014 1.00 0.00 C ATOM 1238 O SER A 82 10.880 -3.392 -3.276 1.00 0.00 O ATOM 1239 CB SER A 82 10.974 -0.194 -4.023 1.00 0.00 C ATOM 1240 OG SER A 82 12.297 -0.696 -3.950 1.00 0.00 O ATOM 0 H SER A 82 8.548 0.203 -3.871 1.00 0.00 H new ATOM 0 HA SER A 82 10.035 -1.818 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.872 0.446 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.768 0.426 -3.150 1.00 0.00 H new ATOM 0 HG SER A 82 12.929 0.052 -3.905 1.00 0.00 H new ATOM 1246 N GLU A 83 9.797 -2.087 -1.797 1.00 0.00 N ATOM 1247 CA GLU A 83 10.014 -2.991 -0.674 1.00 0.00 C ATOM 1248 C GLU A 83 9.349 -4.341 -0.927 1.00 0.00 C ATOM 1249 O GLU A 83 9.929 -5.393 -0.651 1.00 0.00 O ATOM 1250 CB GLU A 83 9.471 -2.376 0.617 1.00 0.00 C ATOM 1251 CG GLU A 83 10.181 -1.097 1.028 1.00 0.00 C ATOM 1252 CD GLU A 83 9.613 -0.497 2.299 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.415 -0.718 2.575 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.365 0.194 3.018 1.00 0.00 O ATOM 0 H GLU A 83 9.275 -1.242 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 83 11.087 -3.148 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.409 -2.167 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.559 -3.105 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.241 -1.305 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.105 -0.368 0.221 1.00 0.00 H new ATOM 1261 N LEU A 84 8.130 -4.304 -1.452 1.00 0.00 N ATOM 1262 CA LEU A 84 7.384 -5.524 -1.742 1.00 0.00 C ATOM 1263 C LEU A 84 8.259 -6.535 -2.477 1.00 0.00 C ATOM 1264 O LEU A 84 9.251 -6.170 -3.106 1.00 0.00 O ATOM 1265 CB LEU A 84 6.145 -5.201 -2.578 1.00 0.00 C ATOM 1266 CG LEU A 84 5.126 -4.262 -1.933 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.934 -4.054 -2.854 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.674 -4.808 -0.587 1.00 0.00 C ATOM 0 H LEU A 84 7.636 -3.443 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 84 7.071 -5.963 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.472 -4.759 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.643 -6.137 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 84 5.604 -3.296 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.219 -3.383 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.272 -3.617 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.455 -5.013 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.949 -4.126 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.214 -5.786 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.535 -4.903 0.075 1.00 0.00 H new ATOM 1280 N ARG A 85 7.881 -7.807 -2.393 1.00 0.00 N ATOM 1281 CA ARG A 85 8.631 -8.871 -3.051 1.00 0.00 C ATOM 1282 C ARG A 85 8.384 -8.859 -4.557 1.00 0.00 C ATOM 1283 O ARG A 85 7.413 -8.269 -5.032 1.00 0.00 O ATOM 1284 CB ARG A 85 8.241 -10.232 -2.471 1.00 0.00 C ATOM 1285 CG ARG A 85 8.688 -10.430 -1.031 1.00 0.00 C ATOM 1286 CD ARG A 85 8.251 -11.785 -0.495 1.00 0.00 C ATOM 1287 NE ARG A 85 8.601 -11.954 0.913 1.00 0.00 N ATOM 1288 CZ ARG A 85 8.761 -13.138 1.493 1.00 0.00 C ATOM 1289 NH1 ARG A 85 8.605 -14.251 0.790 1.00 0.00 N ATOM 1290 NH2 ARG A 85 9.079 -13.210 2.780 1.00 0.00 N ATOM 0 H ARG A 85 7.061 -8.125 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 85 9.692 -8.697 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.158 -10.344 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.674 -11.019 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.773 -10.346 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.272 -9.639 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.173 -11.893 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.718 -12.575 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 85 8.730 -11.117 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.361 -14.200 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.729 -15.159 1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.201 -12.356 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.202 -14.120 3.225 1.00 0.00 H new ATOM 1304 N TRP A 86 9.269 -9.512 -5.301 1.00 0.00 N ATOM 1305 CA TRP A 86 9.147 -9.576 -6.753 1.00 0.00 C ATOM 1306 C TRP A 86 7.698 -9.802 -7.169 1.00 0.00 C ATOM 1307 O TRP A 86 7.134 -9.023 -7.938 1.00 0.00 O ATOM 1308 CB TRP A 86 10.031 -10.693 -7.311 1.00 0.00 C ATOM 1309 CG TRP A 86 10.137 -10.676 -8.806 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.029 -9.965 -9.556 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.320 -11.401 -9.731 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.816 -10.204 -10.892 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.774 -11.083 -11.026 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.250 -12.290 -9.592 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.193 -11.622 -12.171 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.675 -12.823 -10.729 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.148 -12.489 -12.005 1.00 0.00 C ATOM 0 H TRP A 86 10.078 -10.004 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 86 9.478 -8.621 -7.162 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.029 -10.605 -6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.631 -11.656 -6.993 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.790 -9.311 -9.158 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.348 -9.793 -11.660 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.880 -12.555 -8.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.555 -11.365 -13.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.846 -13.509 -10.633 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.678 -12.925 -12.874 1.00 0.00 H new ATOM 1328 N ASP A 87 7.099 -10.871 -6.655 1.00 0.00 N ATOM 1329 CA ASP A 87 5.714 -11.198 -6.972 1.00 0.00 C ATOM 1330 C ASP A 87 4.800 -10.005 -6.712 1.00 0.00 C ATOM 1331 O ASP A 87 4.190 -9.465 -7.635 1.00 0.00 O ATOM 1332 CB ASP A 87 5.250 -12.401 -6.148 1.00 0.00 C ATOM 1333 CG ASP A 87 3.790 -12.733 -6.382 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.391 -12.857 -7.558 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.046 -12.869 -5.388 1.00 0.00 O ATOM 0 H ASP A 87 7.551 -11.526 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 87 5.660 -11.450 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.862 -13.268 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.408 -12.195 -5.089 1.00 0.00 H new ATOM 1340 N ASP A 88 4.711 -9.599 -5.450 1.00 0.00 N ATOM 1341 CA ASP A 88 3.872 -8.469 -5.068 1.00 0.00 C ATOM 1342 C ASP A 88 4.071 -7.296 -6.023 1.00 0.00 C ATOM 1343 O ASP A 88 3.106 -6.683 -6.477 1.00 0.00 O ATOM 1344 CB ASP A 88 4.184 -8.035 -3.635 1.00 0.00 C ATOM 1345 CG ASP A 88 3.401 -8.827 -2.607 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.818 -9.959 -2.287 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.370 -8.314 -2.122 1.00 0.00 O ATOM 0 H ASP A 88 5.209 -10.035 -4.674 1.00 0.00 H new ATOM 0 HA ASP A 88 2.831 -8.787 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.251 -8.155 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.958 -6.975 -3.522 1.00 0.00 H new ATOM 1352 N GLN A 89 5.330 -6.990 -6.321 1.00 0.00 N ATOM 1353 CA GLN A 89 5.656 -5.890 -7.221 1.00 0.00 C ATOM 1354 C GLN A 89 4.891 -6.015 -8.534 1.00 0.00 C ATOM 1355 O GLN A 89 4.186 -5.093 -8.942 1.00 0.00 O ATOM 1356 CB GLN A 89 7.160 -5.855 -7.494 1.00 0.00 C ATOM 1357 CG GLN A 89 7.979 -5.324 -6.329 1.00 0.00 C ATOM 1358 CD GLN A 89 9.471 -5.392 -6.585 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.993 -6.421 -7.014 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.168 -4.293 -6.321 1.00 0.00 N ATOM 0 H GLN A 89 6.140 -7.488 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 89 5.360 -4.959 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.500 -6.862 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.347 -5.235 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.695 -4.290 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.742 -5.897 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.695 -3.462 -5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.177 -4.280 -6.473 1.00 0.00 H new ATOM 1369 N GLN A 90 5.035 -7.162 -9.190 1.00 0.00 N ATOM 1370 CA GLN A 90 4.358 -7.407 -10.458 1.00 0.00 C ATOM 1371 C GLN A 90 2.844 -7.367 -10.283 1.00 0.00 C ATOM 1372 O GLN A 90 2.129 -6.785 -11.099 1.00 0.00 O ATOM 1373 CB GLN A 90 4.781 -8.759 -11.034 1.00 0.00 C ATOM 1374 CG GLN A 90 6.248 -8.820 -11.430 1.00 0.00 C ATOM 1375 CD GLN A 90 6.597 -7.837 -12.529 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.958 -7.813 -13.582 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.614 -7.018 -12.291 1.00 0.00 N ATOM 0 H GLN A 90 5.614 -7.936 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 90 4.646 -6.618 -11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.579 -9.537 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.168 -8.980 -11.908 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.865 -8.615 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.489 -9.830 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.116 -7.072 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.894 -6.334 -12.994 1.00 0.00 H new ATOM 1386 N LYS A 91 2.360 -7.989 -9.213 1.00 0.00 N ATOM 1387 CA LYS A 91 0.930 -8.025 -8.929 1.00 0.00 C ATOM 1388 C LYS A 91 0.327 -6.625 -8.997 1.00 0.00 C ATOM 1389 O LYS A 91 -0.756 -6.431 -9.549 1.00 0.00 O ATOM 1390 CB LYS A 91 0.679 -8.634 -7.548 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.786 -8.918 -7.266 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.074 -8.935 -5.774 1.00 0.00 C ATOM 1393 CE LYS A 91 -0.690 -10.266 -5.147 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.385 -10.489 -3.849 1.00 0.00 N ATOM 0 H LYS A 91 2.938 -8.476 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 91 0.450 -8.646 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.244 -9.562 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.062 -7.956 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.404 -8.160 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.062 -9.878 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.524 -8.130 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.134 -8.744 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.936 -11.076 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.388 -10.296 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.097 -11.407 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.131 -9.731 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.414 -10.486 -4.001 1.00 0.00 H new ATOM 1408 N VAL A 92 1.036 -5.653 -8.432 1.00 0.00 N ATOM 1409 CA VAL A 92 0.571 -4.271 -8.431 1.00 0.00 C ATOM 1410 C VAL A 92 0.733 -3.635 -9.807 1.00 0.00 C ATOM 1411 O VAL A 92 -0.142 -2.905 -10.273 1.00 0.00 O ATOM 1412 CB VAL A 92 1.333 -3.424 -7.394 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.849 -1.982 -7.422 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.178 -4.019 -6.003 1.00 0.00 C ATOM 0 H VAL A 92 1.934 -5.797 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.486 -4.293 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 92 2.392 -3.432 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.399 -1.399 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.016 -1.561 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.216 -1.951 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.723 -3.408 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.122 -4.043 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.578 -5.033 -5.994 1.00 0.00 H new ATOM 1424 N LYS A 93 1.858 -3.918 -10.455 1.00 0.00 N ATOM 1425 CA LYS A 93 2.135 -3.376 -11.780 1.00 0.00 C ATOM 1426 C LYS A 93 1.046 -3.776 -12.770 1.00 0.00 C ATOM 1427 O LYS A 93 0.599 -2.962 -13.579 1.00 0.00 O ATOM 1428 CB LYS A 93 3.497 -3.866 -12.279 1.00 0.00 C ATOM 1429 CG LYS A 93 4.673 -3.161 -11.626 1.00 0.00 C ATOM 1430 CD LYS A 93 5.974 -3.458 -12.352 1.00 0.00 C ATOM 1431 CE LYS A 93 6.059 -2.709 -13.673 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.216 -1.242 -13.470 1.00 0.00 N ATOM 0 H LYS A 93 2.593 -4.520 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 93 2.151 -2.289 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.578 -4.937 -12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.552 -3.723 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.496 -2.085 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.756 -3.476 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.817 -3.179 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.054 -4.530 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.902 -3.088 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.159 -2.900 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.538 -0.802 -14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.303 -0.830 -13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.917 -1.068 -12.722 1.00 0.00 H new ATOM 1446 N LYS A 94 0.620 -5.032 -12.699 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.419 -5.540 -13.587 1.00 0.00 C ATOM 1448 C LYS A 94 -1.782 -4.966 -13.213 1.00 0.00 C ATOM 1449 O LYS A 94 -2.523 -4.488 -14.072 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.465 -7.068 -13.532 1.00 0.00 C ATOM 1451 CG LYS A 94 0.776 -7.735 -14.099 1.00 0.00 C ATOM 1452 CD LYS A 94 0.508 -9.181 -14.480 1.00 0.00 C ATOM 1453 CE LYS A 94 1.764 -10.031 -14.364 1.00 0.00 C ATOM 1454 NZ LYS A 94 1.534 -11.428 -14.826 1.00 0.00 N ATOM 0 H LYS A 94 0.979 -5.718 -12.035 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.178 -5.227 -14.603 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.595 -7.382 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.338 -7.417 -14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.118 -7.184 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.580 -7.695 -13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.270 -9.590 -13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.131 -9.225 -15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.563 -9.581 -14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.100 -10.042 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.414 -11.974 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.790 -11.867 -14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.238 -11.420 -15.823 1.00 0.00 H new ATOM 1468 N THR A 95 -2.106 -5.015 -11.925 1.00 0.00 N ATOM 1469 CA THR A 95 -3.379 -4.500 -11.437 1.00 0.00 C ATOM 1470 C THR A 95 -3.559 -3.034 -11.811 1.00 0.00 C ATOM 1471 O THR A 95 -4.593 -2.644 -12.354 1.00 0.00 O ATOM 1472 CB THR A 95 -3.495 -4.646 -9.908 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.352 -6.021 -9.534 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.834 -4.118 -9.414 1.00 0.00 C ATOM 0 H THR A 95 -1.504 -5.406 -11.201 1.00 0.00 H new ATOM 0 HA THR A 95 -4.162 -5.092 -11.912 1.00 0.00 H new ATOM 0 HB THR A 95 -2.699 -4.060 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.402 -6.233 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.893 -4.232 -8.332 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.928 -3.064 -9.674 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.642 -4.680 -9.882 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.546 -2.225 -11.519 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.592 -0.801 -11.828 1.00 0.00 C ATOM 1484 C ALA A 96 -2.944 -0.568 -13.293 1.00 0.00 C ATOM 1485 O ALA A 96 -3.808 0.249 -13.611 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.261 -0.145 -11.492 1.00 0.00 C ATOM 0 H ALA A 96 -1.683 -2.531 -11.069 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.373 -0.347 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.310 0.918 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.051 -0.272 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.468 -0.611 -12.077 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.269 -1.291 -14.181 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.510 -1.161 -15.613 1.00 0.00 C ATOM 1494 C GLU A 97 -3.986 -1.378 -15.938 1.00 0.00 C ATOM 1495 O GLU A 97 -4.590 -0.601 -16.677 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.653 -2.162 -16.391 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.176 -1.809 -16.416 1.00 0.00 C ATOM 1498 CD GLU A 97 0.098 -0.498 -17.127 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -0.627 -0.186 -18.095 1.00 0.00 O ATOM 1500 OE2 GLU A 97 1.037 0.216 -16.717 1.00 0.00 O ATOM 0 H GLU A 97 -1.551 -1.972 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.234 -0.149 -15.911 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.774 -3.151 -15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.021 -2.223 -17.415 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.197 -1.748 -15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.377 -2.608 -16.910 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.558 -2.440 -15.381 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.962 -2.758 -15.610 1.00 0.00 C ATOM 1509 C ALA A 98 -6.864 -1.609 -15.174 1.00 0.00 C ATOM 1510 O ALA A 98 -7.816 -1.255 -15.869 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.340 -4.036 -14.875 1.00 0.00 C ATOM 0 H ALA A 98 -4.071 -3.094 -14.768 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.104 -2.911 -16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.391 -4.262 -15.055 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.725 -4.860 -15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.175 -3.903 -13.806 1.00 0.00 H new