USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.14) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -5.22! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.253 USER MOD Single : A 95 THR OG1 : rot -24:sc= 0.394 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -157:sc= 0.0382 USER MOD Single : A 114 GLN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 117 CYS SG : rot 26:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.168 3.968 12.008 1.00 0.00 N ATOM 120 CA VAL A 13 -8.582 3.821 11.684 1.00 0.00 C ATOM 121 C VAL A 13 -9.018 2.363 11.777 1.00 0.00 C ATOM 122 O VAL A 13 -10.042 2.047 12.382 1.00 0.00 O ATOM 123 CB VAL A 13 -8.891 4.349 10.271 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.367 4.173 9.946 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.480 5.808 10.145 1.00 0.00 C ATOM 0 HA VAL A 13 -9.137 4.410 12.414 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.313 3.769 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.567 4.552 8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.626 3.115 9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.967 4.726 10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.706 6.164 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.029 6.405 10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.410 5.902 10.331 1.00 0.00 H new ATOM 135 N LYS A 14 -8.233 1.477 11.174 1.00 0.00 N ATOM 136 CA LYS A 14 -8.535 0.050 11.189 1.00 0.00 C ATOM 137 C LYS A 14 -7.322 -0.758 11.637 1.00 0.00 C ATOM 138 O LYS A 14 -6.198 -0.494 11.212 1.00 0.00 O ATOM 139 CB LYS A 14 -8.985 -0.411 9.800 1.00 0.00 C ATOM 140 CG LYS A 14 -9.292 -1.897 9.723 1.00 0.00 C ATOM 141 CD LYS A 14 -9.863 -2.278 8.368 1.00 0.00 C ATOM 142 CE LYS A 14 -10.260 -3.746 8.324 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.642 -3.962 8.833 1.00 0.00 N ATOM 0 H LYS A 14 -7.382 1.722 10.668 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.343 -0.118 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.873 0.151 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.206 -0.171 9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.382 -2.468 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.002 -2.164 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.733 -1.658 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.126 -2.076 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.189 -4.111 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.558 -4.330 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.944 -4.933 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.660 -3.815 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.289 -3.289 8.376 1.00 0.00 H new ATOM 157 N GLN A 15 -7.559 -1.745 12.496 1.00 0.00 N ATOM 158 CA GLN A 15 -6.485 -2.592 13.000 1.00 0.00 C ATOM 159 C GLN A 15 -6.773 -4.063 12.718 1.00 0.00 C ATOM 160 O GLN A 15 -7.929 -4.468 12.603 1.00 0.00 O ATOM 161 CB GLN A 15 -6.299 -2.375 14.503 1.00 0.00 C ATOM 162 CG GLN A 15 -6.009 -0.931 14.878 1.00 0.00 C ATOM 163 CD GLN A 15 -6.470 -0.589 16.281 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.266 -1.360 17.219 1.00 0.00 O ATOM 165 NE2 GLN A 15 -7.096 0.573 16.433 1.00 0.00 N ATOM 0 H GLN A 15 -8.484 -1.977 12.857 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.566 -2.316 12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.199 -2.703 15.023 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.481 -3.004 14.854 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.938 -0.746 14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.502 -0.269 14.166 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.244 1.182 15.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.429 0.856 17.355 1.00 0.00 H new ATOM 174 N GLY A 16 -5.714 -4.858 12.607 1.00 0.00 N ATOM 175 CA GLY A 16 -5.875 -6.275 12.339 1.00 0.00 C ATOM 176 C GLY A 16 -4.567 -6.948 11.972 1.00 0.00 C ATOM 177 O GLY A 16 -3.531 -6.292 11.865 1.00 0.00 O ATOM 0 H GLY A 16 -4.747 -4.546 12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.297 -6.762 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.589 -6.409 11.527 1.00 0.00 H new ATOM 181 N PHE A 17 -4.614 -8.262 11.779 1.00 0.00 N ATOM 182 CA PHE A 17 -3.423 -9.025 11.424 1.00 0.00 C ATOM 183 C PHE A 17 -3.486 -9.489 9.972 1.00 0.00 C ATOM 184 O PHE A 17 -4.424 -10.179 9.569 1.00 0.00 O ATOM 185 CB PHE A 17 -3.270 -10.233 12.351 1.00 0.00 C ATOM 186 CG PHE A 17 -3.359 -9.885 13.809 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.351 -9.161 14.425 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.450 -10.283 14.565 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.429 -8.839 15.766 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.535 -9.963 15.907 1.00 0.00 C ATOM 191 CZ PHE A 17 -3.522 -9.241 16.508 1.00 0.00 C ATOM 0 H PHE A 17 -5.464 -8.820 11.862 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.557 -8.373 11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.042 -10.964 12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.309 -10.710 12.158 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.494 -8.844 13.850 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.243 -10.850 14.100 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.636 -8.274 16.233 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.392 -10.277 16.485 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.585 -8.991 17.557 1.00 0.00 H new ATOM 201 N LEU A 18 -2.484 -9.104 9.190 1.00 0.00 N ATOM 202 CA LEU A 18 -2.424 -9.479 7.781 1.00 0.00 C ATOM 203 C LEU A 18 -1.358 -10.544 7.546 1.00 0.00 C ATOM 204 O LEU A 18 -0.450 -10.718 8.358 1.00 0.00 O ATOM 205 CB LEU A 18 -2.133 -8.250 6.918 1.00 0.00 C ATOM 206 CG LEU A 18 -3.316 -7.317 6.658 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.834 -5.986 6.102 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.308 -7.967 5.704 1.00 0.00 C ATOM 0 H LEU A 18 -1.701 -8.532 9.507 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.392 -9.892 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.340 -7.674 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.745 -8.589 5.957 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.822 -7.130 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.690 -5.335 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.163 -5.514 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.304 -6.154 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.144 -7.289 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.814 -8.184 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.678 -8.895 6.141 1.00 0.00 H new ATOM 220 N TYR A 19 -1.475 -11.253 6.429 1.00 0.00 N ATOM 221 CA TYR A 19 -0.522 -12.302 6.086 1.00 0.00 C ATOM 222 C TYR A 19 0.177 -11.993 4.765 1.00 0.00 C ATOM 223 O TYR A 19 -0.456 -11.556 3.802 1.00 0.00 O ATOM 224 CB TYR A 19 -1.230 -13.655 5.997 1.00 0.00 C ATOM 225 CG TYR A 19 -2.218 -13.895 7.116 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.785 -14.104 8.419 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.585 -13.913 6.869 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.685 -14.325 9.444 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.492 -14.132 7.887 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.037 -14.338 9.173 1.00 0.00 C ATOM 231 OH TYR A 19 -4.937 -14.556 10.191 1.00 0.00 O ATOM 0 H TYR A 19 -2.220 -11.120 5.745 1.00 0.00 H new ATOM 0 HA TYR A 19 0.231 -12.345 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.752 -13.721 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.483 -14.448 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.727 -14.094 8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.945 -13.753 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.332 -14.487 10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.551 -14.142 7.678 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.849 -14.533 9.832 1.00 0.00 H new ATOM 241 N LEU A 20 1.484 -12.223 4.727 1.00 0.00 N ATOM 242 CA LEU A 20 2.271 -11.971 3.524 1.00 0.00 C ATOM 243 C LEU A 20 2.988 -13.237 3.067 1.00 0.00 C ATOM 244 O LEU A 20 3.835 -13.773 3.781 1.00 0.00 O ATOM 245 CB LEU A 20 3.288 -10.858 3.781 1.00 0.00 C ATOM 246 CG LEU A 20 4.336 -10.642 2.688 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.665 -10.347 1.356 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.282 -9.514 3.072 1.00 0.00 C ATOM 0 H LEU A 20 2.022 -12.584 5.515 1.00 0.00 H new ATOM 0 HA LEU A 20 1.590 -11.657 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.746 -9.924 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.806 -11.075 4.715 1.00 0.00 H new ATOM 0 HG LEU A 20 4.918 -11.558 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.426 -10.196 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.029 -11.187 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.058 -9.446 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.021 -9.374 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.715 -8.593 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.789 -9.766 4.003 1.00 0.00 H new ATOM 260 N GLN A 21 2.645 -13.707 1.873 1.00 0.00 N ATOM 261 CA GLN A 21 3.259 -14.909 1.320 1.00 0.00 C ATOM 262 C GLN A 21 4.610 -14.590 0.689 1.00 0.00 C ATOM 263 O GLN A 21 4.710 -13.724 -0.179 1.00 0.00 O ATOM 264 CB GLN A 21 2.335 -15.548 0.282 1.00 0.00 C ATOM 265 CG GLN A 21 2.947 -16.750 -0.420 1.00 0.00 C ATOM 266 CD GLN A 21 2.186 -17.145 -1.670 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.706 -17.051 -2.783 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.948 -17.591 -1.494 1.00 0.00 N ATOM 0 H GLN A 21 1.946 -13.275 1.270 1.00 0.00 H new ATOM 0 HA GLN A 21 3.418 -15.613 2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.411 -15.855 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.068 -14.799 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.980 -16.525 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.971 -17.595 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.557 -17.652 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.388 -17.872 -2.299 1.00 0.00 H new ATOM 413 N TRP A 30 2.796 -19.014 4.632 1.00 0.00 N ATOM 414 CA TRP A 30 2.108 -17.817 5.102 1.00 0.00 C ATOM 415 C TRP A 30 2.673 -17.354 6.440 1.00 0.00 C ATOM 416 O TRP A 30 2.985 -18.170 7.308 1.00 0.00 O ATOM 417 CB TRP A 30 0.608 -18.084 5.233 1.00 0.00 C ATOM 418 CG TRP A 30 -0.134 -17.951 3.938 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.729 -18.955 3.228 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.359 -16.746 3.198 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.310 -18.446 2.091 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.098 -17.094 2.050 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.010 -15.408 3.395 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.490 -16.150 1.104 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.400 -14.473 2.455 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.135 -14.847 1.322 1.00 0.00 C ATOM 0 HA TRP A 30 2.266 -17.026 4.369 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.458 -19.089 5.628 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.185 -17.390 5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.741 -19.995 3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.817 -18.988 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.554 -15.110 4.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.054 -16.437 0.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.134 -13.436 2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.427 -14.092 0.607 1.00 0.00 H new ATOM 437 N ARG A 31 2.803 -16.041 6.601 1.00 0.00 N ATOM 438 CA ARG A 31 3.333 -15.471 7.834 1.00 0.00 C ATOM 439 C ARG A 31 2.354 -14.463 8.431 1.00 0.00 C ATOM 440 O ARG A 31 1.499 -13.923 7.729 1.00 0.00 O ATOM 441 CB ARG A 31 4.680 -14.796 7.572 1.00 0.00 C ATOM 442 CG ARG A 31 5.835 -15.775 7.433 1.00 0.00 C ATOM 443 CD ARG A 31 7.164 -15.050 7.285 1.00 0.00 C ATOM 444 NE ARG A 31 8.279 -15.844 7.794 1.00 0.00 N ATOM 445 CZ ARG A 31 8.430 -16.164 9.074 1.00 0.00 C ATOM 446 NH1 ARG A 31 7.541 -15.759 9.971 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.471 -16.890 9.460 1.00 0.00 N ATOM 0 H ARG A 31 2.549 -15.352 5.893 1.00 0.00 H new ATOM 0 HA ARG A 31 3.474 -16.282 8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.608 -14.201 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.896 -14.106 8.388 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.869 -16.426 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.669 -16.414 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.335 -14.817 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.121 -14.101 7.819 1.00 0.00 H new ATOM 0 HE ARG A 31 8.981 -16.171 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.739 -15.201 9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.659 -16.006 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.157 -17.203 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.585 -17.135 10.444 1.00 0.00 H new ATOM 461 N ARG A 32 2.486 -14.216 9.730 1.00 0.00 N ATOM 462 CA ARG A 32 1.613 -13.275 10.421 1.00 0.00 C ATOM 463 C ARG A 32 2.371 -12.005 10.795 1.00 0.00 C ATOM 464 O ARG A 32 3.521 -12.060 11.230 1.00 0.00 O ATOM 465 CB ARG A 32 1.026 -13.920 11.678 1.00 0.00 C ATOM 466 CG ARG A 32 -0.058 -13.086 12.341 1.00 0.00 C ATOM 467 CD ARG A 32 -0.476 -13.678 13.678 1.00 0.00 C ATOM 468 NE ARG A 32 -1.573 -14.632 13.535 1.00 0.00 N ATOM 469 CZ ARG A 32 -1.932 -15.486 14.487 1.00 0.00 C ATOM 470 NH1 ARG A 32 -1.286 -15.505 15.644 1.00 0.00 N ATOM 471 NH2 ARG A 32 -2.941 -16.323 14.282 1.00 0.00 N ATOM 0 H ARG A 32 3.189 -14.654 10.325 1.00 0.00 H new ATOM 0 HA ARG A 32 0.801 -13.007 9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.614 -14.895 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.828 -14.094 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.304 -12.069 12.489 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.924 -13.023 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.379 -14.174 14.138 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.779 -12.876 14.351 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.091 -14.643 12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.510 -14.863 15.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.564 -16.162 16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.441 -16.311 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.216 -16.979 15.013 1.00 0.00 H new ATOM 485 N PHE A 33 1.718 -10.860 10.622 1.00 0.00 N ATOM 486 CA PHE A 33 2.330 -9.575 10.939 1.00 0.00 C ATOM 487 C PHE A 33 1.280 -8.576 11.416 1.00 0.00 C ATOM 488 O PHE A 33 0.094 -8.716 11.120 1.00 0.00 O ATOM 489 CB PHE A 33 3.062 -9.019 9.716 1.00 0.00 C ATOM 490 CG PHE A 33 4.255 -9.836 9.309 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.149 -10.302 10.259 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.483 -10.137 7.976 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.248 -11.054 9.888 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.579 -10.889 7.599 1.00 0.00 C ATOM 495 CZ PHE A 33 6.463 -11.347 8.556 1.00 0.00 C ATOM 0 H PHE A 33 0.765 -10.796 10.264 1.00 0.00 H new ATOM 0 HA PHE A 33 3.049 -9.731 11.743 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.366 -8.965 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.385 -8.000 9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.985 -10.075 11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.796 -9.780 7.223 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.937 -11.412 10.639 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.744 -11.118 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.321 -11.933 8.263 1.00 0.00 H new ATOM 505 N GLY A 34 1.726 -7.566 12.157 1.00 0.00 N ATOM 506 CA GLY A 34 0.813 -6.558 12.663 1.00 0.00 C ATOM 507 C GLY A 34 0.566 -5.445 11.664 1.00 0.00 C ATOM 508 O GLY A 34 1.438 -4.611 11.425 1.00 0.00 O ATOM 0 H GLY A 34 2.703 -7.428 12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.136 -7.028 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.218 -6.134 13.582 1.00 0.00 H new ATOM 512 N ALA A 35 -0.627 -5.434 11.077 1.00 0.00 N ATOM 513 CA ALA A 35 -0.987 -4.416 10.098 1.00 0.00 C ATOM 514 C ALA A 35 -1.790 -3.292 10.745 1.00 0.00 C ATOM 515 O ALA A 35 -2.639 -3.537 11.601 1.00 0.00 O ATOM 516 CB ALA A 35 -1.773 -5.038 8.954 1.00 0.00 C ATOM 0 H ALA A 35 -1.360 -6.119 11.263 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.067 -3.988 9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.035 -4.266 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.165 -5.800 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.683 -5.494 9.344 1.00 0.00 H new ATOM 522 N SER A 36 -1.515 -2.060 10.330 1.00 0.00 N ATOM 523 CA SER A 36 -2.209 -0.898 10.872 1.00 0.00 C ATOM 524 C SER A 36 -2.545 0.099 9.768 1.00 0.00 C ATOM 525 O SER A 36 -1.661 0.570 9.050 1.00 0.00 O ATOM 526 CB SER A 36 -1.353 -0.220 11.944 1.00 0.00 C ATOM 527 OG SER A 36 -1.082 -1.106 13.016 1.00 0.00 O ATOM 0 H SER A 36 -0.816 -1.841 9.620 1.00 0.00 H new ATOM 0 HA SER A 36 -3.140 -1.241 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.416 0.121 11.504 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.868 0.664 12.320 1.00 0.00 H new ATOM 0 HG SER A 36 -0.532 -0.649 13.687 1.00 0.00 H new ATOM 533 N LEU A 37 -3.828 0.418 9.636 1.00 0.00 N ATOM 534 CA LEU A 37 -4.282 1.359 8.619 1.00 0.00 C ATOM 535 C LEU A 37 -4.318 2.781 9.170 1.00 0.00 C ATOM 536 O LEU A 37 -5.107 3.092 10.063 1.00 0.00 O ATOM 537 CB LEU A 37 -5.669 0.961 8.111 1.00 0.00 C ATOM 538 CG LEU A 37 -6.082 1.546 6.760 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.257 0.933 5.639 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.568 1.324 6.514 1.00 0.00 C ATOM 0 H LEU A 37 -4.572 0.038 10.221 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.576 1.329 7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.710 -0.126 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.407 1.261 8.855 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.894 2.619 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.565 1.361 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.201 1.143 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.413 -0.146 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.844 1.747 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.782 0.255 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.144 1.811 7.301 1.00 0.00 H new ATOM 552 N TYR A 38 -3.462 3.641 8.631 1.00 0.00 N ATOM 553 CA TYR A 38 -3.395 5.030 9.069 1.00 0.00 C ATOM 554 C TYR A 38 -3.794 5.976 7.941 1.00 0.00 C ATOM 555 O TYR A 38 -3.417 5.779 6.786 1.00 0.00 O ATOM 556 CB TYR A 38 -1.985 5.366 9.556 1.00 0.00 C ATOM 557 CG TYR A 38 -1.517 4.497 10.702 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.071 4.626 11.969 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.520 3.547 10.517 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.647 3.834 13.019 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.090 2.750 11.560 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.656 2.898 12.809 1.00 0.00 C ATOM 563 OH TYR A 38 -0.230 2.107 13.851 1.00 0.00 O ATOM 0 H TYR A 38 -2.804 3.401 7.889 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.097 5.159 9.893 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.288 5.262 8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.956 6.410 9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.847 5.358 12.137 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.073 3.430 9.541 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.089 3.947 13.998 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.685 2.015 11.398 1.00 0.00 H new ATOM 0 HH TYR A 38 0.472 1.500 13.535 1.00 0.00 H new ATOM 573 N GLY A 39 -4.560 7.007 8.285 1.00 0.00 N ATOM 574 CA GLY A 39 -4.998 7.970 7.292 1.00 0.00 C ATOM 575 C GLY A 39 -6.498 8.187 7.316 1.00 0.00 C ATOM 576 O GLY A 39 -7.240 7.380 7.875 1.00 0.00 O ATOM 0 H GLY A 39 -4.885 7.192 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.494 8.921 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.700 7.627 6.301 1.00 0.00 H new ATOM 650 N ALA A 46 -2.043 8.577 4.001 1.00 0.00 N ATOM 651 CA ALA A 46 -2.377 7.254 4.512 1.00 0.00 C ATOM 652 C ALA A 46 -1.358 6.216 4.055 1.00 0.00 C ATOM 653 O ALA A 46 -0.906 6.238 2.910 1.00 0.00 O ATOM 654 CB ALA A 46 -3.776 6.854 4.068 1.00 0.00 C ATOM 0 HA ALA A 46 -2.352 7.295 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.012 5.864 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.499 7.575 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.821 6.836 2.979 1.00 0.00 H new ATOM 660 N ARG A 47 -1.000 5.307 4.956 1.00 0.00 N ATOM 661 CA ARG A 47 -0.032 4.262 4.645 1.00 0.00 C ATOM 662 C ARG A 47 -0.279 3.021 5.499 1.00 0.00 C ATOM 663 O ARG A 47 -0.866 3.104 6.578 1.00 0.00 O ATOM 664 CB ARG A 47 1.392 4.773 4.868 1.00 0.00 C ATOM 665 CG ARG A 47 1.709 5.077 6.323 1.00 0.00 C ATOM 666 CD ARG A 47 2.896 6.020 6.449 1.00 0.00 C ATOM 667 NE ARG A 47 2.507 7.416 6.270 1.00 0.00 N ATOM 668 CZ ARG A 47 1.816 8.107 7.170 1.00 0.00 C ATOM 669 NH1 ARG A 47 1.441 7.535 8.305 1.00 0.00 N ATOM 670 NH2 ARG A 47 1.500 9.375 6.935 1.00 0.00 N ATOM 0 H ARG A 47 -1.366 5.273 5.908 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.152 3.990 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.098 4.029 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.542 5.676 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.837 5.522 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.923 4.148 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.356 5.895 7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.649 5.756 5.707 1.00 0.00 H new ATOM 0 HE ARG A 47 2.781 7.886 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.683 6.561 8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.911 8.068 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.788 9.819 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.969 9.905 7.626 1.00 0.00 H new ATOM 684 N LEU A 48 0.173 1.873 5.008 1.00 0.00 N ATOM 685 CA LEU A 48 0.002 0.614 5.725 1.00 0.00 C ATOM 686 C LEU A 48 1.272 0.242 6.484 1.00 0.00 C ATOM 687 O LEU A 48 2.315 -0.009 5.880 1.00 0.00 O ATOM 688 CB LEU A 48 -0.370 -0.505 4.751 1.00 0.00 C ATOM 689 CG LEU A 48 -1.226 -1.636 5.322 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.587 -1.110 5.751 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.382 -2.754 4.302 1.00 0.00 C ATOM 0 H LEU A 48 0.661 1.787 4.116 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.805 0.743 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.902 -0.064 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.550 -0.936 4.356 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.722 -2.040 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.183 -1.929 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.457 -0.344 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.099 -0.679 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.994 -3.550 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.864 -2.364 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.400 -3.150 4.043 1.00 0.00 H new ATOM 703 N GLU A 49 1.175 0.207 7.809 1.00 0.00 N ATOM 704 CA GLU A 49 2.317 -0.136 8.649 1.00 0.00 C ATOM 705 C GLU A 49 2.344 -1.632 8.946 1.00 0.00 C ATOM 706 O GLU A 49 1.298 -2.266 9.096 1.00 0.00 O ATOM 707 CB GLU A 49 2.270 0.654 9.958 1.00 0.00 C ATOM 708 CG GLU A 49 3.641 0.920 10.558 1.00 0.00 C ATOM 709 CD GLU A 49 4.104 -0.196 11.473 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.250 -0.780 12.174 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.318 -0.486 11.490 1.00 0.00 O ATOM 0 H GLU A 49 0.319 0.412 8.324 1.00 0.00 H new ATOM 0 HA GLU A 49 3.226 0.126 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.770 1.606 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.666 0.106 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.366 1.050 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.613 1.855 11.117 1.00 0.00 H new ATOM 718 N LEU A 50 3.546 -2.191 9.028 1.00 0.00 N ATOM 719 CA LEU A 50 3.711 -3.614 9.307 1.00 0.00 C ATOM 720 C LEU A 50 4.702 -3.835 10.445 1.00 0.00 C ATOM 721 O LEU A 50 5.618 -3.038 10.645 1.00 0.00 O ATOM 722 CB LEU A 50 4.186 -4.348 8.051 1.00 0.00 C ATOM 723 CG LEU A 50 3.191 -4.409 6.892 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.864 -4.946 5.639 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.991 -5.267 7.265 1.00 0.00 C ATOM 0 H LEU A 50 4.421 -1.681 8.905 1.00 0.00 H new ATOM 0 HA LEU A 50 2.744 -4.014 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.097 -3.867 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.452 -5.368 8.329 1.00 0.00 H new ATOM 0 HG LEU A 50 2.840 -3.398 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.141 -4.982 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.691 -4.292 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.244 -5.949 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.293 -5.299 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.325 -6.278 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.494 -4.839 8.136 1.00 0.00 H new ATOM 737 N GLN A 51 4.512 -4.922 11.186 1.00 0.00 N ATOM 738 CA GLN A 51 5.390 -5.248 12.303 1.00 0.00 C ATOM 739 C GLN A 51 5.664 -6.747 12.361 1.00 0.00 C ATOM 740 O GLN A 51 4.740 -7.558 12.306 1.00 0.00 O ATOM 741 CB GLN A 51 4.771 -4.779 13.620 1.00 0.00 C ATOM 742 CG GLN A 51 4.669 -3.267 13.740 1.00 0.00 C ATOM 743 CD GLN A 51 5.993 -2.619 14.094 1.00 0.00 C ATOM 744 OE1 GLN A 51 6.865 -2.456 13.240 1.00 0.00 O ATOM 745 NE2 GLN A 51 6.150 -2.245 15.358 1.00 0.00 N ATOM 0 H GLN A 51 3.758 -5.592 11.033 1.00 0.00 H new ATOM 0 HA GLN A 51 6.337 -4.730 12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.775 -5.211 13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.367 -5.162 14.449 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.308 -2.855 12.798 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.931 -3.016 14.502 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.401 -2.400 16.032 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.020 -1.803 15.655 1.00 0.00 H new ATOM 959 N LYS A 65 8.458 -1.689 8.650 1.00 0.00 N ATOM 960 CA LYS A 65 8.077 -1.842 7.251 1.00 0.00 C ATOM 961 C LYS A 65 6.685 -1.269 7.000 1.00 0.00 C ATOM 962 O LYS A 65 5.698 -1.743 7.562 1.00 0.00 O ATOM 963 CB LYS A 65 8.112 -3.319 6.850 1.00 0.00 C ATOM 964 CG LYS A 65 8.230 -3.540 5.352 1.00 0.00 C ATOM 965 CD LYS A 65 7.906 -4.975 4.973 1.00 0.00 C ATOM 966 CE LYS A 65 8.370 -5.297 3.560 1.00 0.00 C ATOM 967 NZ LYS A 65 9.840 -5.528 3.498 1.00 0.00 N ATOM 0 HA LYS A 65 8.793 -1.289 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.953 -3.802 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.206 -3.806 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.554 -2.863 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.241 -3.296 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.384 -5.655 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.831 -5.139 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.848 -6.183 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.103 -4.476 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.107 -5.811 2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.340 -4.652 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.101 -6.283 4.164 1.00 0.00 H new ATOM 981 N VAL A 66 6.614 -0.248 6.152 1.00 0.00 N ATOM 982 CA VAL A 66 5.344 0.387 5.826 1.00 0.00 C ATOM 983 C VAL A 66 5.200 0.588 4.321 1.00 0.00 C ATOM 984 O VAL A 66 6.137 1.021 3.651 1.00 0.00 O ATOM 985 CB VAL A 66 5.200 1.750 6.530 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.269 2.717 6.045 1.00 0.00 C ATOM 987 CG2 VAL A 66 3.809 2.322 6.303 1.00 0.00 C ATOM 0 H VAL A 66 7.422 0.157 5.679 1.00 0.00 H new ATOM 0 HA VAL A 66 4.558 -0.281 6.178 1.00 0.00 H new ATOM 0 HB VAL A 66 5.337 1.603 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.151 3.674 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.256 2.309 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.167 2.862 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.725 3.285 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.641 2.456 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.063 1.636 6.705 1.00 0.00 H new ATOM 997 N ILE A 67 4.021 0.270 3.797 1.00 0.00 N ATOM 998 CA ILE A 67 3.754 0.417 2.372 1.00 0.00 C ATOM 999 C ILE A 67 2.697 1.486 2.118 1.00 0.00 C ATOM 1000 O ILE A 67 1.502 1.243 2.281 1.00 0.00 O ATOM 1001 CB ILE A 67 3.286 -0.911 1.747 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.327 -2.007 1.986 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.027 -0.733 0.259 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.778 -3.407 1.825 1.00 0.00 C ATOM 0 H ILE A 67 3.236 -0.091 4.338 1.00 0.00 H new ATOM 0 HA ILE A 67 4.691 0.719 1.905 1.00 0.00 H new ATOM 0 HB ILE A 67 2.354 -1.212 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.155 -1.868 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.733 -1.898 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.697 -1.680 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.254 0.021 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.945 -0.412 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.571 -4.132 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.969 -3.565 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.398 -3.534 0.811 1.00 0.00 H new ATOM 1016 N ARG A 68 3.146 2.670 1.715 1.00 0.00 N ATOM 1017 CA ARG A 68 2.239 3.777 1.437 1.00 0.00 C ATOM 1018 C ARG A 68 1.099 3.330 0.526 1.00 0.00 C ATOM 1019 O ARG A 68 1.324 2.673 -0.491 1.00 0.00 O ATOM 1020 CB ARG A 68 2.999 4.937 0.790 1.00 0.00 C ATOM 1021 CG ARG A 68 4.109 5.500 1.661 1.00 0.00 C ATOM 1022 CD ARG A 68 4.380 6.962 1.343 1.00 0.00 C ATOM 1023 NE ARG A 68 5.343 7.554 2.268 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.650 7.322 2.216 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.147 6.516 1.289 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.462 7.899 3.093 1.00 0.00 N ATOM 0 H ARG A 68 4.133 2.887 1.574 1.00 0.00 H new ATOM 0 HA ARG A 68 1.815 4.113 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.426 4.599 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.295 5.735 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.835 5.400 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.019 4.919 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.757 7.047 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.445 7.521 1.385 1.00 0.00 H new ATOM 0 HE ARG A 68 4.993 8.180 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.526 6.072 0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.151 6.340 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.083 8.521 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.466 7.721 3.053 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.124 3.691 0.898 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.300 3.327 0.115 1.00 0.00 C ATOM 1042 C LEU A 69 -1.333 4.090 -1.205 1.00 0.00 C ATOM 1043 O LEU A 69 -1.919 3.630 -2.185 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.575 3.609 0.913 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.885 2.633 2.049 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.067 3.127 2.869 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.159 1.242 1.498 1.00 0.00 C ATOM 0 H LEU A 69 -0.327 4.235 1.736 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.244 2.261 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.503 4.612 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.419 3.612 0.223 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.014 2.577 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.273 2.420 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.832 4.102 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.944 3.213 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.378 0.561 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.013 1.280 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.283 0.886 0.956 1.00 0.00 H new ATOM 1059 N SER A 70 -0.699 5.258 -1.223 1.00 0.00 N ATOM 1060 CA SER A 70 -0.657 6.087 -2.422 1.00 0.00 C ATOM 1061 C SER A 70 0.141 5.402 -3.528 1.00 0.00 C ATOM 1062 O SER A 70 -0.010 5.723 -4.707 1.00 0.00 O ATOM 1063 CB SER A 70 -0.042 7.451 -2.104 1.00 0.00 C ATOM 1064 OG SER A 70 -0.310 8.384 -3.137 1.00 0.00 O ATOM 0 H SER A 70 -0.207 5.652 -0.421 1.00 0.00 H new ATOM 0 HA SER A 70 -1.680 6.230 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.442 7.823 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.035 7.347 -1.974 1.00 0.00 H new ATOM 0 HG SER A 70 0.092 9.248 -2.910 1.00 0.00 H new ATOM 1070 N ASP A 71 0.990 4.458 -3.138 1.00 0.00 N ATOM 1071 CA ASP A 71 1.811 3.726 -4.095 1.00 0.00 C ATOM 1072 C ASP A 71 0.998 2.638 -4.789 1.00 0.00 C ATOM 1073 O ASP A 71 1.173 2.384 -5.981 1.00 0.00 O ATOM 1074 CB ASP A 71 3.021 3.107 -3.392 1.00 0.00 C ATOM 1075 CG ASP A 71 4.130 4.112 -3.156 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.251 5.062 -3.957 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.877 3.949 -2.168 1.00 0.00 O ATOM 0 H ASP A 71 1.128 4.182 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 71 2.160 4.430 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.707 2.686 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.404 2.282 -3.993 1.00 0.00 H new ATOM 1082 N CYS A 72 0.111 1.998 -4.036 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.728 0.935 -4.578 1.00 0.00 C ATOM 1084 C CYS A 72 -1.331 1.349 -5.916 1.00 0.00 C ATOM 1085 O CYS A 72 -2.173 2.246 -5.980 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.841 0.582 -3.590 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.274 -0.322 -2.131 1.00 0.00 S ATOM 0 H CYS A 72 -0.046 2.197 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.103 0.057 -4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.330 1.501 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.593 -0.016 -4.105 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.287 -0.573 -1.355 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.895 0.690 -6.984 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.390 0.990 -8.323 1.00 0.00 C ATOM 1095 C LEU A 73 -2.832 0.520 -8.488 1.00 0.00 C ATOM 1096 O LEU A 73 -3.648 1.198 -9.112 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.502 0.326 -9.377 1.00 0.00 C ATOM 1098 CG LEU A 73 0.975 0.719 -9.354 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.780 -0.176 -10.284 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.144 2.181 -9.740 1.00 0.00 C ATOM 0 H LEU A 73 -0.200 -0.056 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.361 2.071 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.572 -0.755 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.904 0.561 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 73 1.351 0.586 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.829 0.119 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.685 -1.213 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.403 -0.075 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.202 2.443 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.751 2.340 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.600 2.809 -9.034 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.139 -0.642 -7.922 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.483 -1.202 -8.005 1.00 0.00 C ATOM 1114 C ARG A 74 -4.633 -2.397 -7.069 1.00 0.00 C ATOM 1115 O ARG A 74 -3.666 -3.103 -6.787 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.794 -1.624 -9.442 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.271 -1.879 -9.695 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.594 -1.855 -11.181 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.461 -0.516 -11.749 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.864 -0.194 -12.973 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.422 -1.109 -13.753 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.708 1.046 -13.419 1.00 0.00 N ATOM 0 H ARG A 74 -2.475 -1.215 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.190 -0.431 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.446 -0.848 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.232 -2.528 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.551 -2.845 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.865 -1.124 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.929 -2.540 -11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.611 -2.215 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.035 0.211 -11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.543 -2.063 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.731 -0.859 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.278 1.753 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.018 1.293 -14.359 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.853 -2.616 -6.589 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.131 -3.726 -5.685 1.00 0.00 C ATOM 1138 C VAL A 75 -7.339 -4.528 -6.154 1.00 0.00 C ATOM 1139 O VAL A 75 -8.226 -4.000 -6.824 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.385 -3.229 -4.249 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.174 -2.475 -3.722 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.630 -2.356 -4.200 1.00 0.00 C ATOM 0 H VAL A 75 -6.665 -2.039 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.249 -4.367 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.551 -4.095 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.373 -2.132 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.307 -3.136 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.973 -1.616 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.794 -2.014 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.496 -1.494 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.493 -2.933 -4.532 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.367 -5.808 -5.798 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.468 -6.684 -6.180 1.00 0.00 C ATOM 1154 C ALA A 76 -8.839 -7.628 -5.042 1.00 0.00 C ATOM 1155 O ALA A 76 -8.178 -7.654 -4.005 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.103 -7.475 -7.427 1.00 0.00 C ATOM 0 H ALA A 76 -6.640 -6.262 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.336 -6.062 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.934 -8.125 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.895 -6.787 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.219 -8.080 -7.228 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.902 -8.401 -5.243 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.361 -9.346 -4.232 1.00 0.00 C ATOM 1164 C GLU A 77 -10.122 -10.784 -4.682 1.00 0.00 C ATOM 1165 O GLU A 77 -10.590 -11.201 -5.741 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.848 -9.132 -3.940 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.158 -7.782 -3.316 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.553 -7.291 -3.649 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.100 -7.719 -4.687 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.099 -6.480 -2.872 1.00 0.00 O ATOM 0 H GLU A 77 -10.461 -8.391 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.790 -9.169 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.410 -9.231 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.195 -9.920 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.051 -7.853 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.428 -7.050 -3.661 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.388 -11.538 -3.869 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.087 -12.929 -4.181 1.00 0.00 C ATOM 1179 C ALA A 78 -9.325 -13.827 -2.972 1.00 0.00 C ATOM 1180 O ALA A 78 -8.397 -14.144 -2.229 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.651 -13.062 -4.666 1.00 0.00 C ATOM 0 H ALA A 78 -8.991 -11.208 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.759 -13.251 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.440 -14.106 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.512 -12.458 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.971 -12.717 -3.888 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.139 -20.622 5.063 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.870 -19.642 5.858 1.00 0.00 C ATOM 1288 C ASP A 87 -12.150 -18.298 5.859 1.00 0.00 C ATOM 1289 O ASP A 87 -12.218 -17.545 6.832 1.00 0.00 O ATOM 1290 CB ASP A 87 -13.041 -20.145 7.293 1.00 0.00 C ATOM 1291 CG ASP A 87 -14.142 -19.413 8.035 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -15.217 -19.197 7.438 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.928 -19.055 9.212 1.00 0.00 O ATOM 0 HA ASP A 87 -13.854 -19.506 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.265 -21.212 7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.101 -20.024 7.832 1.00 0.00 H new ATOM 1298 N THR A 88 -11.458 -18.001 4.763 1.00 0.00 N ATOM 1299 CA THR A 88 -10.723 -16.749 4.639 1.00 0.00 C ATOM 1300 C THR A 88 -10.906 -16.140 3.253 1.00 0.00 C ATOM 1301 O THR A 88 -11.559 -16.725 2.389 1.00 0.00 O ATOM 1302 CB THR A 88 -9.219 -16.951 4.904 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.754 -18.121 4.221 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.946 -17.085 6.395 1.00 0.00 C ATOM 0 H THR A 88 -11.392 -18.611 3.948 1.00 0.00 H new ATOM 0 HA THR A 88 -11.128 -16.069 5.389 1.00 0.00 H new ATOM 0 HB THR A 88 -8.686 -16.077 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.797 -18.241 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.878 -17.227 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.274 -16.181 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.490 -17.943 6.789 1.00 0.00 H new ATOM 1312 N SER A 89 -10.323 -14.963 3.048 1.00 0.00 N ATOM 1313 CA SER A 89 -10.425 -14.274 1.767 1.00 0.00 C ATOM 1314 C SER A 89 -9.220 -13.364 1.543 1.00 0.00 C ATOM 1315 O SER A 89 -9.084 -12.326 2.189 1.00 0.00 O ATOM 1316 CB SER A 89 -11.715 -13.454 1.705 1.00 0.00 C ATOM 1317 OG SER A 89 -12.854 -14.286 1.839 1.00 0.00 O ATOM 0 H SER A 89 -9.776 -14.467 3.752 1.00 0.00 H new ATOM 0 HA SER A 89 -10.443 -15.026 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.712 -12.705 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.763 -12.916 0.758 1.00 0.00 H new ATOM 0 HG SER A 89 -13.666 -13.738 1.798 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.349 -13.763 0.621 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.157 -12.984 0.310 1.00 0.00 C ATOM 1325 C ALA A 90 -7.476 -11.861 -0.671 1.00 0.00 C ATOM 1326 O ALA A 90 -8.537 -11.851 -1.296 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.070 -13.887 -0.255 1.00 0.00 C ATOM 0 H ALA A 90 -8.447 -14.620 0.077 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.796 -12.533 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.185 -13.293 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.814 -14.651 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.431 -14.365 -1.166 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.552 -10.914 -0.800 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.736 -9.785 -1.704 1.00 0.00 C ATOM 1335 C PHE A 91 -5.474 -9.531 -2.522 1.00 0.00 C ATOM 1336 O PHE A 91 -4.390 -10.001 -2.174 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.107 -8.528 -0.914 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.063 -8.117 0.084 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.937 -8.788 1.290 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.206 -7.061 -0.183 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.977 -8.412 2.211 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.244 -6.681 0.734 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.129 -7.358 1.932 1.00 0.00 C ATOM 0 H PHE A 91 -5.669 -10.906 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.548 -10.029 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.275 -7.707 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.048 -8.701 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.596 -9.614 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.291 -6.529 -1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.890 -8.942 3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.583 -5.856 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.377 -7.064 2.650 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.622 -8.786 -3.612 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.494 -8.470 -4.481 1.00 0.00 C ATOM 1355 C PHE A 92 -3.947 -7.078 -4.180 1.00 0.00 C ATOM 1356 O PHE A 92 -4.707 -6.128 -3.987 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.915 -8.558 -5.950 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.804 -9.941 -6.524 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.564 -10.496 -6.795 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.940 -10.687 -6.792 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.459 -11.768 -7.324 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.842 -11.961 -7.321 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.599 -12.502 -7.586 1.00 0.00 C ATOM 0 H PHE A 92 -6.512 -8.390 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.706 -9.199 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.945 -8.215 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.298 -7.879 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.669 -9.928 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.914 -10.269 -6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.486 -12.188 -7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.736 -12.532 -7.527 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.519 -13.497 -7.997 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.624 -6.965 -4.139 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.974 -5.690 -3.859 1.00 0.00 C ATOM 1375 C LEU A 93 -0.792 -5.464 -4.797 1.00 0.00 C ATOM 1376 O LEU A 93 0.245 -6.115 -4.671 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.502 -5.643 -2.405 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.428 -4.255 -1.768 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.907 -4.349 -0.342 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.550 -3.332 -2.599 1.00 0.00 C ATOM 0 H LEU A 93 -1.981 -7.741 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.702 -4.896 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.172 -6.260 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.514 -6.099 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.434 -3.836 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.861 -3.352 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.576 -4.974 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.090 -4.789 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.509 -2.349 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.456 -3.746 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.967 -3.239 -3.602 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.956 -4.537 -5.736 1.00 0.00 N ATOM 1393 CA GLU A 94 0.099 -4.226 -6.693 1.00 0.00 C ATOM 1394 C GLU A 94 0.687 -2.844 -6.424 1.00 0.00 C ATOM 1395 O GLU A 94 -0.035 -1.848 -6.371 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.443 -4.292 -8.122 1.00 0.00 C ATOM 1397 CG GLU A 94 0.592 -3.957 -9.183 1.00 0.00 C ATOM 1398 CD GLU A 94 0.013 -3.956 -10.584 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.011 -3.274 -10.801 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.583 -4.635 -11.463 1.00 0.00 O ATOM 0 H GLU A 94 -1.808 -3.989 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 94 0.890 -4.967 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.831 -5.294 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.282 -3.603 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.021 -2.978 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.407 -4.679 -9.131 1.00 0.00 H new ATOM 1407 N THR A 95 2.005 -2.790 -6.255 1.00 0.00 N ATOM 1408 CA THR A 95 2.691 -1.532 -5.990 1.00 0.00 C ATOM 1409 C THR A 95 3.874 -1.342 -6.932 1.00 0.00 C ATOM 1410 O THR A 95 4.451 -2.312 -7.425 1.00 0.00 O ATOM 1411 CB THR A 95 3.192 -1.462 -4.535 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.191 -2.463 -4.311 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.044 -1.656 -3.557 1.00 0.00 C ATOM 0 H THR A 95 2.618 -3.604 -6.297 1.00 0.00 H new ATOM 0 HA THR A 95 1.966 -0.735 -6.156 1.00 0.00 H new ATOM 0 HB THR A 95 3.625 -0.475 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.075 -3.191 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.423 -1.603 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.300 -0.874 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.585 -2.631 -3.723 1.00 0.00 H new ATOM 1421 N LYS A 96 4.232 -0.086 -7.180 1.00 0.00 N ATOM 1422 CA LYS A 96 5.348 0.232 -8.062 1.00 0.00 C ATOM 1423 C LYS A 96 6.475 -0.783 -7.903 1.00 0.00 C ATOM 1424 O LYS A 96 6.985 -1.316 -8.887 1.00 0.00 O ATOM 1425 CB LYS A 96 5.870 1.640 -7.769 1.00 0.00 C ATOM 1426 CG LYS A 96 4.824 2.727 -7.947 1.00 0.00 C ATOM 1427 CD LYS A 96 5.462 4.100 -8.076 1.00 0.00 C ATOM 1428 CE LYS A 96 5.873 4.391 -9.511 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.666 5.647 -9.618 1.00 0.00 N ATOM 0 H LYS A 96 3.764 0.728 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 96 4.989 0.190 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.246 1.673 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.714 1.849 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.228 2.517 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.143 2.720 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.761 4.862 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.336 4.159 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.460 3.557 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.983 4.470 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.927 5.809 -10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.097 6.447 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.529 5.563 -9.043 1.00 0.00 H new ATOM 1443 N GLU A 97 6.856 -1.047 -6.657 1.00 0.00 N ATOM 1444 CA GLU A 97 7.922 -2.000 -6.370 1.00 0.00 C ATOM 1445 C GLU A 97 7.647 -3.342 -7.042 1.00 0.00 C ATOM 1446 O GLU A 97 8.397 -3.774 -7.918 1.00 0.00 O ATOM 1447 CB GLU A 97 8.070 -2.194 -4.860 1.00 0.00 C ATOM 1448 CG GLU A 97 9.475 -2.583 -4.431 1.00 0.00 C ATOM 1449 CD GLU A 97 9.746 -2.273 -2.972 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.114 -1.119 -2.668 1.00 0.00 O ATOM 1451 OE2 GLU A 97 9.591 -3.185 -2.133 1.00 0.00 O ATOM 0 H GLU A 97 6.443 -0.615 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 97 8.852 -1.597 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.787 -1.271 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.372 -2.964 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.622 -3.649 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.199 -2.055 -5.051 1.00 0.00 H new ATOM 1458 N ARG A 98 6.568 -3.995 -6.626 1.00 0.00 N ATOM 1459 CA ARG A 98 6.195 -5.289 -7.186 1.00 0.00 C ATOM 1460 C ARG A 98 4.783 -5.679 -6.759 1.00 0.00 C ATOM 1461 O ARG A 98 4.103 -4.925 -6.061 1.00 0.00 O ATOM 1462 CB ARG A 98 7.188 -6.365 -6.744 1.00 0.00 C ATOM 1463 CG ARG A 98 7.029 -6.782 -5.291 1.00 0.00 C ATOM 1464 CD ARG A 98 8.289 -7.447 -4.761 1.00 0.00 C ATOM 1465 NE ARG A 98 8.683 -8.597 -5.571 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.601 -9.481 -5.195 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.215 -9.348 -4.027 1.00 0.00 N ATOM 1468 NH2 ARG A 98 9.905 -10.501 -5.987 1.00 0.00 N ATOM 0 H ARG A 98 5.936 -3.650 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 98 6.218 -5.207 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.067 -7.242 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.202 -5.997 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.795 -5.907 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.188 -7.469 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.102 -6.721 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.125 -7.767 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 98 8.229 -8.729 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.983 -8.566 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.919 -10.028 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.434 -10.607 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.610 -11.179 -5.697 1.00 0.00 H new ATOM 1482 N LEU A 99 4.347 -6.860 -7.183 1.00 0.00 N ATOM 1483 CA LEU A 99 3.015 -7.351 -6.846 1.00 0.00 C ATOM 1484 C LEU A 99 3.055 -8.211 -5.587 1.00 0.00 C ATOM 1485 O LEU A 99 3.700 -9.259 -5.559 1.00 0.00 O ATOM 1486 CB LEU A 99 2.437 -8.157 -8.010 1.00 0.00 C ATOM 1487 CG LEU A 99 1.081 -8.818 -7.761 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.002 -7.765 -7.565 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.721 -9.747 -8.912 1.00 0.00 C ATOM 0 H LEU A 99 4.897 -7.496 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 99 2.374 -6.490 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.344 -7.497 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.153 -8.933 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 99 1.149 -9.412 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.956 -8.254 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.254 -7.141 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.066 -7.144 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.247 -10.209 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.671 -9.176 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.481 -10.523 -9.005 1.00 0.00 H new ATOM 1501 N TYR A 100 2.359 -7.762 -4.548 1.00 0.00 N ATOM 1502 CA TYR A 100 2.315 -8.491 -3.286 1.00 0.00 C ATOM 1503 C TYR A 100 0.976 -9.200 -3.113 1.00 0.00 C ATOM 1504 O TYR A 100 -0.083 -8.623 -3.364 1.00 0.00 O ATOM 1505 CB TYR A 100 2.555 -7.538 -2.114 1.00 0.00 C ATOM 1506 CG TYR A 100 3.918 -6.883 -2.135 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.059 -7.599 -1.794 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.064 -5.550 -2.496 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.306 -7.005 -1.810 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.308 -4.948 -2.517 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.425 -5.679 -2.173 1.00 0.00 C ATOM 1512 OH TYR A 100 7.666 -5.084 -2.192 1.00 0.00 O ATOM 0 H TYR A 100 1.818 -6.897 -4.555 1.00 0.00 H new ATOM 0 HA TYR A 100 3.104 -9.243 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.789 -6.763 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.440 -8.088 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.969 -8.638 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.191 -4.974 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.183 -7.575 -1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.404 -3.911 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 100 7.565 -4.114 -2.099 1.00 0.00 H new ATOM 1522 N LEU A 101 1.030 -10.456 -2.682 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.178 -11.246 -2.474 1.00 0.00 C ATOM 1524 C LEU A 101 -0.364 -11.578 -0.996 1.00 0.00 C ATOM 1525 O LEU A 101 0.229 -12.528 -0.483 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.115 -12.536 -3.294 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.336 -13.452 -3.198 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.562 -12.771 -3.784 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.068 -14.772 -3.906 1.00 0.00 C ATOM 0 H LEU A 101 1.898 -10.949 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.031 -10.654 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.034 -12.271 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.763 -13.100 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.529 -13.659 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.421 -13.438 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.766 -11.852 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.380 -12.534 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.947 -15.412 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.849 -14.583 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.216 -15.268 -3.441 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.193 -10.791 -0.319 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.460 -11.003 1.100 1.00 0.00 C ATOM 1543 C LEU A 102 -2.835 -11.628 1.308 1.00 0.00 C ATOM 1544 O LEU A 102 -3.707 -11.534 0.445 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.369 -9.678 1.859 1.00 0.00 C ATOM 1546 CG LEU A 102 0.035 -9.097 2.030 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.389 -8.202 0.852 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.138 -8.325 3.337 1.00 0.00 C ATOM 0 H LEU A 102 -1.692 -10.001 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.707 -11.690 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.984 -8.942 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.805 -9.818 2.848 1.00 0.00 H new ATOM 0 HG LEU A 102 0.747 -9.922 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.392 -7.797 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.357 -8.784 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.327 -7.383 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.144 -7.919 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.584 -7.509 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.072 -8.994 4.172 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.022 -12.264 2.460 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.293 -12.901 2.783 1.00 0.00 C ATOM 1562 C ALA A 103 -4.998 -12.172 3.922 1.00 0.00 C ATOM 1563 O ALA A 103 -4.358 -11.514 4.741 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.073 -14.363 3.146 1.00 0.00 C ATOM 0 H ALA A 103 -2.310 -12.352 3.185 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.932 -12.849 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.030 -14.827 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.619 -14.883 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.413 -14.428 4.011 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.321 -12.293 3.966 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.113 -11.646 5.005 1.00 0.00 C ATOM 1572 C ALA A 104 -8.373 -12.448 5.313 1.00 0.00 C ATOM 1573 O ALA A 104 -8.931 -13.128 4.452 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.475 -10.229 4.587 1.00 0.00 C ATOM 0 H ALA A 104 -6.867 -12.833 3.294 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.511 -11.602 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.066 -9.758 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.564 -9.654 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.055 -10.259 3.664 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.833 -12.368 6.570 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.033 -13.079 7.021 1.00 0.00 C ATOM 1582 C PRO A 105 -11.309 -12.508 6.413 1.00 0.00 C ATOM 1583 O PRO A 105 -11.636 -11.339 6.619 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.022 -12.869 8.537 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.254 -11.608 8.739 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.218 -11.575 7.649 1.00 0.00 C ATOM 0 HA PRO A 105 -10.021 -14.127 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.034 -12.784 8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.549 -13.707 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.909 -10.739 8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.786 -11.590 9.723 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.005 -10.555 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.274 -12.009 7.979 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.027 -13.339 5.665 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.268 -12.916 5.029 1.00 0.00 C ATOM 1596 C ALA A 106 -14.014 -11.909 5.898 1.00 0.00 C ATOM 1597 O ALA A 106 -14.679 -11.007 5.388 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.150 -14.121 4.740 1.00 0.00 C ATOM 0 H ALA A 106 -11.770 -14.310 5.485 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.017 -12.429 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.074 -13.790 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.624 -14.805 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.385 -14.632 5.674 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.900 -12.068 7.212 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.562 -11.172 8.151 1.00 0.00 C ATOM 1606 C ALA A 107 -14.104 -9.731 7.951 1.00 0.00 C ATOM 1607 O ALA A 107 -14.924 -8.820 7.842 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.298 -11.617 9.582 1.00 0.00 C ATOM 0 H ALA A 107 -13.355 -12.810 7.651 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.634 -11.215 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.799 -10.938 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.681 -12.628 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.225 -11.604 9.775 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.790 -9.533 7.905 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.225 -8.202 7.719 1.00 0.00 C ATOM 1616 C GLU A 108 -12.088 -7.871 6.236 1.00 0.00 C ATOM 1617 O GLU A 108 -12.374 -6.752 5.810 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.859 -8.104 8.403 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.903 -8.397 9.893 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.175 -7.158 10.723 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.361 -6.802 10.888 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.202 -6.544 11.209 1.00 0.00 O ATOM 0 H GLU A 108 -12.098 -10.277 7.994 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.904 -7.480 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.171 -8.801 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.456 -7.103 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.676 -9.139 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.954 -8.835 10.202 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.648 -8.852 5.455 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.471 -8.666 4.020 1.00 0.00 C ATOM 1631 C ARG A 109 -12.535 -7.726 3.459 1.00 0.00 C ATOM 1632 O ARG A 109 -12.217 -6.704 2.852 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.533 -10.012 3.297 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.097 -9.944 1.843 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.232 -9.483 0.941 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.394 -10.364 1.031 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.412 -10.325 0.179 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.413 -9.454 -0.820 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.434 -11.160 0.326 1.00 0.00 N ATOM 0 H ARG A 109 -11.407 -9.784 5.792 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.491 -8.219 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.901 -10.727 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.553 -10.393 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.254 -9.260 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.750 -10.925 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.524 -8.469 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.883 -9.447 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.425 -11.046 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.630 -8.811 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.197 -9.427 -1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.437 -11.832 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.216 -11.130 -0.329 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.799 -8.080 3.666 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.890 -7.259 3.174 1.00 0.00 C ATOM 1655 C GLY A 110 -14.615 -5.776 3.329 1.00 0.00 C ATOM 1656 O GLY A 110 -14.786 -5.004 2.386 1.00 0.00 O ATOM 0 H GLY A 110 -14.087 -8.921 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.065 -7.485 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.804 -7.514 3.711 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.188 -5.377 4.523 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.889 -3.977 4.799 1.00 0.00 C ATOM 1662 C ASP A 111 -12.491 -3.613 4.310 1.00 0.00 C ATOM 1663 O ASP A 111 -12.313 -2.642 3.574 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.009 -3.694 6.297 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.435 -3.398 6.718 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.331 -4.201 6.384 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.655 -2.365 7.384 1.00 0.00 O ATOM 0 H ASP A 111 -14.041 -6.004 5.314 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.613 -3.364 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.639 -4.553 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.374 -2.847 6.556 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.502 -4.397 4.725 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.119 -4.156 4.330 1.00 0.00 C ATOM 1674 C TRP A 112 -10.046 -3.604 2.911 1.00 0.00 C ATOM 1675 O TRP A 112 -9.729 -2.432 2.706 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.307 -5.448 4.430 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.695 -5.662 5.781 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.747 -6.801 6.533 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.941 -4.711 6.541 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.070 -6.616 7.715 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.566 -5.342 7.743 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.544 -3.390 6.322 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.816 -4.694 8.721 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.800 -2.748 7.293 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.441 -3.400 8.480 1.00 0.00 C ATOM 0 H TRP A 112 -11.632 -5.204 5.335 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.697 -3.416 5.009 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.953 -6.294 4.194 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.517 -5.431 3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.247 -7.713 6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.961 -7.313 8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.814 -2.879 5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.540 -5.195 9.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.490 -1.726 7.134 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.857 -2.871 9.219 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.343 -4.454 1.933 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.312 -4.050 0.533 1.00 0.00 C ATOM 1698 C VAL A 113 -10.999 -2.703 0.334 1.00 0.00 C ATOM 1699 O VAL A 113 -10.490 -1.835 -0.374 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.991 -5.098 -0.369 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.122 -4.575 -1.791 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.214 -6.406 -0.343 1.00 0.00 C ATOM 0 H VAL A 113 -10.608 -5.427 2.085 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.262 -3.965 0.252 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.993 -5.289 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.604 -5.329 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.724 -3.666 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.132 -4.354 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.708 -7.135 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.199 -6.234 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.178 -6.787 0.677 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.157 -2.537 0.966 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.914 -1.296 0.858 1.00 0.00 C ATOM 1714 C GLN A 114 -12.118 -0.122 1.420 1.00 0.00 C ATOM 1715 O GLN A 114 -11.703 0.769 0.680 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.248 -1.422 1.595 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.092 -0.158 1.546 1.00 0.00 C ATOM 1718 CD GLN A 114 -15.535 0.194 0.140 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.205 -0.503 -0.820 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.288 1.280 0.010 1.00 0.00 N ATOM 0 H GLN A 114 -12.591 -3.246 1.557 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.107 -1.108 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.816 -2.245 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.055 -1.680 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.971 -0.288 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.521 0.672 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.538 1.829 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.616 1.565 -0.913 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.909 -0.130 2.732 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.161 0.933 3.393 1.00 0.00 C ATOM 1731 C ALA A 115 -9.899 1.284 2.612 1.00 0.00 C ATOM 1732 O ALA A 115 -9.711 2.429 2.200 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.807 0.523 4.815 1.00 0.00 C ATOM 0 H ALA A 115 -12.247 -0.861 3.359 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.793 1.820 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.249 1.326 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.721 0.329 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.197 -0.380 4.792 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.038 0.292 2.411 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.795 0.497 1.679 1.00 0.00 C ATOM 1741 C ILE A 116 -8.045 1.232 0.366 1.00 0.00 C ATOM 1742 O ILE A 116 -7.242 2.066 -0.053 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.090 -0.839 1.381 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.794 -1.587 2.683 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.807 -0.599 0.598 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.387 -3.028 2.473 1.00 0.00 C ATOM 0 H ILE A 116 -9.179 -0.661 2.745 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.151 1.104 2.315 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.753 -1.454 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.999 -1.068 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.679 -1.557 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.321 -1.553 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.043 -0.105 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.137 0.033 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.193 -3.496 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.190 -3.563 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.484 -3.066 1.863 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.163 0.916 -0.278 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.520 1.547 -1.544 1.00 0.00 C ATOM 1760 C CYS A 117 -9.964 2.990 -1.326 1.00 0.00 C ATOM 1761 O CYS A 117 -9.642 3.876 -2.118 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.632 0.757 -2.235 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.833 1.147 -3.989 1.00 0.00 S ATOM 0 H CYS A 117 -9.838 0.227 0.055 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.636 1.551 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.424 -0.308 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.574 0.950 -1.721 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.708 1.589 -4.467 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.707 3.218 -0.248 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.198 4.554 0.073 1.00 0.00 C ATOM 1771 C LEU A 118 -10.040 5.524 0.280 1.00 0.00 C ATOM 1772 O LEU A 118 -10.119 6.693 -0.102 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.071 4.509 1.329 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.564 4.274 1.099 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.199 5.484 0.432 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.785 3.023 0.261 1.00 0.00 C ATOM 0 H LEU A 118 -10.982 2.496 0.418 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.797 4.906 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.695 3.720 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.950 5.450 1.866 1.00 0.00 H new ATOM 0 HG LEU A 118 -14.042 4.127 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.262 5.298 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.073 6.359 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.718 5.664 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.854 2.872 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.293 3.140 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.367 2.160 0.779 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.964 5.033 0.885 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.787 5.856 1.140 1.00 0.00 C ATOM 1790 C LEU A 119 -6.814 5.796 -0.033 1.00 0.00 C ATOM 1791 O LEU A 119 -6.491 6.818 -0.637 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.088 5.398 2.421 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.737 5.836 3.734 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.132 5.080 4.907 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.584 7.338 3.929 1.00 0.00 C ATOM 0 H LEU A 119 -8.882 4.069 1.208 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.116 6.888 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.033 4.309 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.063 5.769 2.404 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.801 5.602 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.606 5.405 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.293 4.010 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.062 5.282 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.052 7.632 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.525 7.596 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.065 7.863 3.104 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.354 4.591 -0.352 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.422 4.396 -1.456 1.00 0.00 C ATOM 1809 C ALA A 120 -5.797 5.266 -2.651 1.00 0.00 C ATOM 1810 O ALA A 120 -5.004 6.092 -3.103 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.382 2.930 -1.860 1.00 0.00 C ATOM 0 H ALA A 120 -6.612 3.735 0.139 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.430 4.696 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.682 2.799 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.059 2.327 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.376 2.612 -2.173 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.011 5.075 -3.158 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.490 5.842 -4.302 1.00 0.00 C ATOM 1819 C PHE A 121 -8.457 6.936 -3.857 1.00 0.00 C ATOM 1820 O PHE A 121 -9.448 7.215 -4.531 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.177 4.918 -5.310 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.494 3.590 -5.468 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.767 2.548 -4.598 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.578 3.385 -6.488 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.140 1.324 -4.741 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -5.948 2.164 -6.636 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.229 1.132 -5.761 1.00 0.00 C ATOM 0 H PHE A 121 -7.680 4.396 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.630 6.313 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.207 4.752 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.216 5.415 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.478 2.693 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.354 4.188 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.362 0.519 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.236 2.016 -7.435 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.737 0.177 -5.875 1.00 0.00 H new