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 30:sc= -0.167 USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= -5.98! (180deg=-6.85!) USER MOD Single : A 15 GLN : amide:sc= -0.0902 K(o=-0.09,f=-0.63) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.699 K(o=-0.7,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-0.679) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.69! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -2.12! USER MOD Single : A 95 THR OG1 : rot -41:sc= 0.0259 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 68:sc= -1.72! USER MOD Single : A 114 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.33) USER MOD Single : A 117 CYS SG : rot -29:sc= 0.0509 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.794 3.755 11.993 1.00 0.00 N ATOM 120 CA VAL A 13 -8.227 3.718 11.730 1.00 0.00 C ATOM 121 C VAL A 13 -8.787 2.314 11.928 1.00 0.00 C ATOM 122 O VAL A 13 -9.819 2.130 12.573 1.00 0.00 O ATOM 123 CB VAL A 13 -8.547 4.189 10.298 1.00 0.00 C ATOM 124 CG1 VAL A 13 -8.418 3.036 9.315 1.00 0.00 C ATOM 125 CG2 VAL A 13 -9.940 4.799 10.238 1.00 0.00 C ATOM 0 HA VAL A 13 -8.697 4.397 12.442 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.826 4.956 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.648 3.388 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.399 2.649 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.114 2.244 9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.150 5.127 9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.677 4.054 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.992 5.654 10.912 1.00 0.00 H new ATOM 135 N LYS A 14 -8.098 1.325 11.369 1.00 0.00 N ATOM 136 CA LYS A 14 -8.524 -0.065 11.485 1.00 0.00 C ATOM 137 C LYS A 14 -7.324 -0.988 11.673 1.00 0.00 C ATOM 138 O LYS A 14 -6.446 -1.061 10.814 1.00 0.00 O ATOM 139 CB LYS A 14 -9.312 -0.484 10.242 1.00 0.00 C ATOM 140 CG LYS A 14 -9.954 -1.855 10.362 1.00 0.00 C ATOM 141 CD LYS A 14 -10.594 -2.288 9.053 1.00 0.00 C ATOM 142 CE LYS A 14 -9.549 -2.730 8.041 1.00 0.00 C ATOM 143 NZ LYS A 14 -8.946 -1.573 7.324 1.00 0.00 N ATOM 0 H LYS A 14 -7.242 1.460 10.831 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.167 -0.150 12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.089 0.256 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.645 -0.479 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.201 -2.585 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.709 -1.837 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.290 -3.106 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.175 -1.463 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.765 -3.290 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.006 -3.406 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.771 -1.832 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.598 -0.764 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.047 -1.314 7.778 1.00 0.00 H new ATOM 157 N GLN A 15 -7.295 -1.691 12.801 1.00 0.00 N ATOM 158 CA GLN A 15 -6.203 -2.609 13.100 1.00 0.00 C ATOM 159 C GLN A 15 -6.620 -4.053 12.844 1.00 0.00 C ATOM 160 O GLN A 15 -7.809 -4.371 12.817 1.00 0.00 O ATOM 161 CB GLN A 15 -5.755 -2.446 14.554 1.00 0.00 C ATOM 162 CG GLN A 15 -4.726 -1.346 14.754 1.00 0.00 C ATOM 163 CD GLN A 15 -4.814 -0.705 16.125 1.00 0.00 C ATOM 164 OE1 GLN A 15 -5.906 -0.444 16.631 1.00 0.00 O ATOM 165 NE2 GLN A 15 -3.663 -0.449 16.734 1.00 0.00 N ATOM 0 H GLN A 15 -8.015 -1.642 13.522 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.369 -2.368 12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.627 -2.233 15.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.338 -3.390 14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.727 -1.759 14.614 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.865 -0.581 13.990 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.781 -0.682 16.277 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.660 -0.019 17.659 1.00 0.00 H new ATOM 174 N GLY A 16 -5.634 -4.925 12.655 1.00 0.00 N ATOM 175 CA GLY A 16 -5.920 -6.325 12.402 1.00 0.00 C ATOM 176 C GLY A 16 -4.670 -7.125 12.093 1.00 0.00 C ATOM 177 O GLY A 16 -3.553 -6.660 12.326 1.00 0.00 O ATOM 0 H GLY A 16 -4.642 -4.687 12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.417 -6.754 13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.615 -6.405 11.566 1.00 0.00 H new ATOM 181 N PHE A 17 -4.856 -8.332 11.570 1.00 0.00 N ATOM 182 CA PHE A 17 -3.734 -9.200 11.232 1.00 0.00 C ATOM 183 C PHE A 17 -3.762 -9.574 9.753 1.00 0.00 C ATOM 184 O PHE A 17 -4.769 -10.070 9.245 1.00 0.00 O ATOM 185 CB PHE A 17 -3.764 -10.466 12.090 1.00 0.00 C ATOM 186 CG PHE A 17 -4.082 -10.203 13.535 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.269 -9.381 14.298 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.193 -10.779 14.129 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.559 -9.137 15.627 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.488 -10.539 15.457 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.670 -9.717 16.208 1.00 0.00 C ATOM 0 H PHE A 17 -5.773 -8.732 11.371 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.812 -8.655 11.434 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.505 -11.154 11.683 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.796 -10.963 12.024 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.399 -8.926 13.849 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.836 -11.423 13.547 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.918 -8.493 16.211 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.358 -10.994 15.908 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.899 -9.528 17.247 1.00 0.00 H new ATOM 201 N LEU A 18 -2.651 -9.334 9.066 1.00 0.00 N ATOM 202 CA LEU A 18 -2.547 -9.644 7.645 1.00 0.00 C ATOM 203 C LEU A 18 -1.413 -10.631 7.384 1.00 0.00 C ATOM 204 O LEU A 18 -0.323 -10.502 7.943 1.00 0.00 O ATOM 205 CB LEU A 18 -2.320 -8.365 6.838 1.00 0.00 C ATOM 206 CG LEU A 18 -3.504 -7.400 6.762 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.033 -6.005 6.381 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.540 -7.905 5.768 1.00 0.00 C ATOM 0 H LEU A 18 -1.809 -8.925 9.471 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.484 -10.103 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.471 -7.834 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.039 -8.645 5.823 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.969 -7.347 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.889 -5.333 6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.329 -5.642 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.543 -6.040 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.375 -7.206 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.087 -7.987 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.901 -8.884 6.084 1.00 0.00 H new ATOM 220 N TYR A 19 -1.676 -11.614 6.531 1.00 0.00 N ATOM 221 CA TYR A 19 -0.677 -12.623 6.197 1.00 0.00 C ATOM 222 C TYR A 19 0.047 -12.265 4.902 1.00 0.00 C ATOM 223 O TYR A 19 -0.583 -11.967 3.886 1.00 0.00 O ATOM 224 CB TYR A 19 -1.336 -13.997 6.062 1.00 0.00 C ATOM 225 CG TYR A 19 -2.237 -14.353 7.223 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.707 -14.762 8.440 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.619 -14.279 7.102 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.527 -15.089 9.503 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.447 -14.602 8.160 1.00 0.00 C ATOM 230 CZ TYR A 19 -3.896 -15.007 9.358 1.00 0.00 C ATOM 231 OH TYR A 19 -4.716 -15.330 10.414 1.00 0.00 O ATOM 0 H TYR A 19 -2.572 -11.734 6.058 1.00 0.00 H new ATOM 0 HA TYR A 19 0.055 -12.655 7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.918 -14.023 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.559 -14.756 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.635 -14.826 8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.054 -13.964 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.098 -15.407 10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.519 -14.538 8.050 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.652 -15.218 10.147 1.00 0.00 H new ATOM 241 N LEU A 20 1.374 -12.296 4.947 1.00 0.00 N ATOM 242 CA LEU A 20 2.186 -11.976 3.778 1.00 0.00 C ATOM 243 C LEU A 20 3.017 -13.180 3.346 1.00 0.00 C ATOM 244 O LEU A 20 3.807 -13.712 4.125 1.00 0.00 O ATOM 245 CB LEU A 20 3.105 -10.790 4.081 1.00 0.00 C ATOM 246 CG LEU A 20 4.228 -10.537 3.074 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.697 -10.617 1.651 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.877 -9.185 3.328 1.00 0.00 C ATOM 0 H LEU A 20 1.911 -12.539 5.780 1.00 0.00 H new ATOM 0 HA LEU A 20 1.515 -11.709 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.494 -9.890 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.552 -10.944 5.063 1.00 0.00 H new ATOM 0 HG LEU A 20 4.985 -11.311 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.510 -10.434 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.280 -11.608 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.920 -9.866 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.674 -9.022 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.129 -8.398 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.294 -9.165 4.335 1.00 0.00 H new ATOM 260 N GLN A 21 2.833 -13.602 2.099 1.00 0.00 N ATOM 261 CA GLN A 21 3.567 -14.742 1.563 1.00 0.00 C ATOM 262 C GLN A 21 4.930 -14.311 1.031 1.00 0.00 C ATOM 263 O GLN A 21 5.021 -13.446 0.160 1.00 0.00 O ATOM 264 CB GLN A 21 2.763 -15.416 0.451 1.00 0.00 C ATOM 265 CG GLN A 21 3.038 -16.905 0.317 1.00 0.00 C ATOM 266 CD GLN A 21 2.333 -17.525 -0.873 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.940 -17.754 -1.919 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.043 -17.800 -0.719 1.00 0.00 N ATOM 0 H GLN A 21 2.182 -13.172 1.442 1.00 0.00 H new ATOM 0 HA GLN A 21 3.722 -15.455 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.700 -15.267 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.989 -14.927 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.112 -17.065 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.720 -17.413 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.580 -17.593 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.516 -18.218 -1.486 1.00 0.00 H new ATOM 413 N TRP A 30 2.757 -18.547 4.557 1.00 0.00 N ATOM 414 CA TRP A 30 2.136 -17.379 5.171 1.00 0.00 C ATOM 415 C TRP A 30 2.817 -17.029 6.489 1.00 0.00 C ATOM 416 O TRP A 30 3.064 -17.901 7.322 1.00 0.00 O ATOM 417 CB TRP A 30 0.646 -17.632 5.404 1.00 0.00 C ATOM 418 CG TRP A 30 -0.134 -17.800 4.136 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.780 -18.927 3.714 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.349 -16.810 3.124 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.383 -18.697 2.500 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.134 -17.406 2.117 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.044 -15.478 2.971 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.531 -16.714 0.976 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.350 -14.793 1.837 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.131 -15.411 0.852 1.00 0.00 C ATOM 0 HA TRP A 30 2.252 -16.536 4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.528 -18.526 6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.228 -16.800 5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.812 -19.861 4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.928 -19.378 1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.645 -14.992 3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.133 -17.189 0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.050 -13.763 1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.423 -14.848 -0.022 1.00 0.00 H new ATOM 437 N ARG A 31 3.120 -15.748 6.672 1.00 0.00 N ATOM 438 CA ARG A 31 3.774 -15.283 7.889 1.00 0.00 C ATOM 439 C ARG A 31 2.927 -14.226 8.592 1.00 0.00 C ATOM 440 O ARG A 31 2.424 -13.298 7.959 1.00 0.00 O ATOM 441 CB ARG A 31 5.156 -14.712 7.565 1.00 0.00 C ATOM 442 CG ARG A 31 6.207 -15.777 7.298 1.00 0.00 C ATOM 443 CD ARG A 31 6.756 -16.354 8.594 1.00 0.00 C ATOM 444 NE ARG A 31 7.673 -17.466 8.353 1.00 0.00 N ATOM 445 CZ ARG A 31 8.877 -17.321 7.812 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.309 -16.118 7.459 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.653 -18.381 7.625 1.00 0.00 N ATOM 0 H ARG A 31 2.923 -15.013 5.992 1.00 0.00 H new ATOM 0 HA ARG A 31 3.889 -16.136 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.077 -14.065 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.486 -14.088 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.773 -16.576 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.022 -15.348 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.273 -15.571 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.930 -16.694 9.218 1.00 0.00 H new ATOM 0 HE ARG A 31 7.372 -18.405 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.716 -15.301 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.234 -16.010 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.325 -19.308 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.578 -18.269 7.209 1.00 0.00 H new ATOM 461 N ARG A 32 2.774 -14.374 9.904 1.00 0.00 N ATOM 462 CA ARG A 32 1.987 -13.434 10.692 1.00 0.00 C ATOM 463 C ARG A 32 2.709 -12.096 10.822 1.00 0.00 C ATOM 464 O ARG A 32 3.908 -12.050 11.099 1.00 0.00 O ATOM 465 CB ARG A 32 1.705 -14.010 12.081 1.00 0.00 C ATOM 466 CG ARG A 32 0.764 -13.156 12.915 1.00 0.00 C ATOM 467 CD ARG A 32 -0.689 -13.539 12.683 1.00 0.00 C ATOM 468 NE ARG A 32 -1.541 -13.162 13.808 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.863 -13.289 13.803 1.00 0.00 C ATOM 470 NH1 ARG A 32 -3.481 -13.781 12.739 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.570 -12.923 14.865 1.00 0.00 N ATOM 0 H ARG A 32 3.185 -15.136 10.443 1.00 0.00 H new ATOM 0 HA ARG A 32 1.041 -13.269 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.277 -15.006 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.648 -14.125 12.616 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.007 -13.270 13.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.908 -12.105 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.051 -13.055 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.759 -14.614 12.520 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.096 -12.780 14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.941 -14.063 11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.496 -13.877 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.098 -12.544 15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.585 -13.021 14.860 1.00 0.00 H new ATOM 485 N PHE A 33 1.971 -11.009 10.620 1.00 0.00 N ATOM 486 CA PHE A 33 2.541 -9.670 10.713 1.00 0.00 C ATOM 487 C PHE A 33 1.483 -8.657 11.139 1.00 0.00 C ATOM 488 O PHE A 33 0.416 -8.566 10.534 1.00 0.00 O ATOM 489 CB PHE A 33 3.148 -9.256 9.370 1.00 0.00 C ATOM 490 CG PHE A 33 4.278 -10.140 8.925 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.346 -10.398 9.769 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.273 -10.711 7.663 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.388 -11.210 9.363 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.312 -11.525 7.252 1.00 0.00 C ATOM 495 CZ PHE A 33 6.371 -11.774 8.102 1.00 0.00 C ATOM 0 H PHE A 33 0.977 -11.029 10.391 1.00 0.00 H new ATOM 0 HA PHE A 33 3.326 -9.689 11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.368 -9.266 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.508 -8.230 9.444 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.364 -9.959 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.448 -10.518 6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.215 -11.403 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.295 -11.966 6.266 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.184 -12.408 7.782 1.00 0.00 H new ATOM 505 N GLY A 34 1.788 -7.897 12.187 1.00 0.00 N ATOM 506 CA GLY A 34 0.853 -6.901 12.678 1.00 0.00 C ATOM 507 C GLY A 34 0.512 -5.861 11.630 1.00 0.00 C ATOM 508 O GLY A 34 1.371 -5.085 11.213 1.00 0.00 O ATOM 0 H GLY A 34 2.665 -7.953 12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.061 -7.396 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.279 -6.407 13.551 1.00 0.00 H new ATOM 512 N ALA A 35 -0.747 -5.845 11.202 1.00 0.00 N ATOM 513 CA ALA A 35 -1.200 -4.892 10.197 1.00 0.00 C ATOM 514 C ALA A 35 -1.863 -3.682 10.847 1.00 0.00 C ATOM 515 O ALA A 35 -2.777 -3.826 11.660 1.00 0.00 O ATOM 516 CB ALA A 35 -2.159 -5.564 9.226 1.00 0.00 C ATOM 0 H ALA A 35 -1.471 -6.482 11.536 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.328 -4.542 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.489 -4.840 8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.653 -6.391 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.023 -5.943 9.772 1.00 0.00 H new ATOM 522 N SER A 36 -1.398 -2.491 10.484 1.00 0.00 N ATOM 523 CA SER A 36 -1.944 -1.257 11.035 1.00 0.00 C ATOM 524 C SER A 36 -2.319 -0.284 9.922 1.00 0.00 C ATOM 525 O SER A 36 -1.451 0.259 9.237 1.00 0.00 O ATOM 526 CB SER A 36 -0.932 -0.604 11.979 1.00 0.00 C ATOM 527 OG SER A 36 -0.508 -1.513 12.980 1.00 0.00 O ATOM 0 H SER A 36 -0.644 -2.355 9.810 1.00 0.00 H new ATOM 0 HA SER A 36 -2.845 -1.506 11.595 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.070 -0.257 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.379 0.273 12.446 1.00 0.00 H new ATOM 0 HG SER A 36 0.139 -1.072 13.569 1.00 0.00 H new ATOM 533 N LEU A 37 -3.618 -0.067 9.747 1.00 0.00 N ATOM 534 CA LEU A 37 -4.111 0.841 8.717 1.00 0.00 C ATOM 535 C LEU A 37 -4.290 2.250 9.273 1.00 0.00 C ATOM 536 O LEU A 37 -5.062 2.465 10.208 1.00 0.00 O ATOM 537 CB LEU A 37 -5.437 0.330 8.151 1.00 0.00 C ATOM 538 CG LEU A 37 -5.983 1.083 6.938 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.466 0.464 5.648 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.505 1.090 6.955 1.00 0.00 C ATOM 0 H LEU A 37 -4.349 -0.508 10.305 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.372 0.878 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.313 -0.718 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.185 0.366 8.943 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.634 2.114 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.865 1.013 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.377 0.511 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.785 -0.577 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.876 1.630 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.874 0.065 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.856 1.580 7.863 1.00 0.00 H new ATOM 552 N TYR A 38 -3.574 3.205 8.691 1.00 0.00 N ATOM 553 CA TYR A 38 -3.654 4.594 9.129 1.00 0.00 C ATOM 554 C TYR A 38 -4.151 5.493 8.001 1.00 0.00 C ATOM 555 O TYR A 38 -3.595 5.496 6.903 1.00 0.00 O ATOM 556 CB TYR A 38 -2.287 5.076 9.616 1.00 0.00 C ATOM 557 CG TYR A 38 -1.686 4.205 10.696 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.046 4.369 12.028 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.758 3.219 10.385 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.500 3.575 13.018 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.208 2.420 11.368 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.581 2.602 12.683 1.00 0.00 C ATOM 563 OH TYR A 38 -0.034 1.809 13.666 1.00 0.00 O ATOM 0 H TYR A 38 -2.932 3.043 7.915 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.366 4.649 9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.602 5.114 8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.384 6.094 9.994 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.765 5.130 12.294 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.462 3.075 9.357 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.791 3.715 14.049 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.510 1.657 11.108 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.678 1.703 14.397 1.00 0.00 H new ATOM 573 N GLY A 39 -5.203 6.256 8.281 1.00 0.00 N ATOM 574 CA GLY A 39 -5.758 7.150 7.282 1.00 0.00 C ATOM 575 C GLY A 39 -6.974 7.901 7.787 1.00 0.00 C ATOM 576 O GLY A 39 -7.535 7.560 8.827 1.00 0.00 O ATOM 0 H GLY A 39 -5.681 6.271 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.995 7.865 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.031 6.576 6.397 1.00 0.00 H new ATOM 650 N ALA A 46 -1.677 8.895 5.113 1.00 0.00 N ATOM 651 CA ALA A 46 -2.180 7.543 4.909 1.00 0.00 C ATOM 652 C ALA A 46 -1.070 6.609 4.438 1.00 0.00 C ATOM 653 O ALA A 46 -0.370 6.901 3.469 1.00 0.00 O ATOM 654 CB ALA A 46 -3.325 7.552 3.906 1.00 0.00 C ATOM 0 HA ALA A 46 -2.550 7.172 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.691 6.535 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.133 8.179 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.972 7.948 2.954 1.00 0.00 H new ATOM 660 N ARG A 47 -0.914 5.486 5.132 1.00 0.00 N ATOM 661 CA ARG A 47 0.113 4.511 4.786 1.00 0.00 C ATOM 662 C ARG A 47 -0.114 3.196 5.526 1.00 0.00 C ATOM 663 O ARG A 47 -0.691 3.176 6.615 1.00 0.00 O ATOM 664 CB ARG A 47 1.501 5.062 5.117 1.00 0.00 C ATOM 665 CG ARG A 47 1.725 5.297 6.601 1.00 0.00 C ATOM 666 CD ARG A 47 3.196 5.527 6.914 1.00 0.00 C ATOM 667 NE ARG A 47 3.576 6.928 6.756 1.00 0.00 N ATOM 668 CZ ARG A 47 3.929 7.467 5.594 1.00 0.00 C ATOM 669 NH1 ARG A 47 3.951 6.727 4.495 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.262 8.750 5.531 1.00 0.00 N ATOM 0 H ARG A 47 -1.486 5.229 5.937 1.00 0.00 H new ATOM 0 HA ARG A 47 0.051 4.320 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.256 4.366 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.647 6.001 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.144 6.160 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.362 4.438 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.404 5.208 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.808 4.909 6.257 1.00 0.00 H new ATOM 0 HE ARG A 47 3.570 7.525 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.696 5.740 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.222 7.144 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.247 9.323 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.533 9.163 4.639 1.00 0.00 H new ATOM 684 N LEU A 48 0.341 2.101 4.929 1.00 0.00 N ATOM 685 CA LEU A 48 0.187 0.781 5.531 1.00 0.00 C ATOM 686 C LEU A 48 1.475 0.344 6.221 1.00 0.00 C ATOM 687 O LEU A 48 2.533 0.274 5.596 1.00 0.00 O ATOM 688 CB LEU A 48 -0.207 -0.244 4.466 1.00 0.00 C ATOM 689 CG LEU A 48 -1.053 -1.423 4.950 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.272 -0.928 5.711 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.473 -2.295 3.776 1.00 0.00 C ATOM 0 H LEU A 48 0.820 2.100 4.028 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.603 0.840 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.756 0.272 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.704 -0.637 4.014 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.448 -2.026 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.862 -1.781 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.950 -0.346 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.879 -0.302 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.074 -3.129 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.060 -1.703 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.586 -2.679 3.272 1.00 0.00 H new ATOM 703 N GLU A 49 1.377 0.049 7.514 1.00 0.00 N ATOM 704 CA GLU A 49 2.535 -0.383 8.288 1.00 0.00 C ATOM 705 C GLU A 49 2.455 -1.874 8.600 1.00 0.00 C ATOM 706 O GLU A 49 1.366 -2.443 8.696 1.00 0.00 O ATOM 707 CB GLU A 49 2.633 0.417 9.589 1.00 0.00 C ATOM 708 CG GLU A 49 2.711 1.919 9.375 1.00 0.00 C ATOM 709 CD GLU A 49 3.060 2.672 10.645 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.572 2.035 11.589 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.820 3.896 10.694 1.00 0.00 O ATOM 0 H GLU A 49 0.509 0.101 8.047 1.00 0.00 H new ATOM 0 HA GLU A 49 3.428 -0.202 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.766 0.192 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.515 0.091 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.459 2.135 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.755 2.278 8.995 1.00 0.00 H new ATOM 718 N LEU A 50 3.615 -2.503 8.758 1.00 0.00 N ATOM 719 CA LEU A 50 3.678 -3.929 9.059 1.00 0.00 C ATOM 720 C LEU A 50 4.581 -4.192 10.259 1.00 0.00 C ATOM 721 O LEU A 50 5.575 -3.496 10.464 1.00 0.00 O ATOM 722 CB LEU A 50 4.187 -4.705 7.842 1.00 0.00 C ATOM 723 CG LEU A 50 3.288 -4.680 6.606 1.00 0.00 C ATOM 724 CD1 LEU A 50 4.021 -5.251 5.402 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.003 -5.452 6.866 1.00 0.00 C ATOM 0 H LEU A 50 4.525 -2.048 8.683 1.00 0.00 H new ATOM 0 HA LEU A 50 2.672 -4.269 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.163 -4.307 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.338 -5.744 8.136 1.00 0.00 H new ATOM 0 HG LEU A 50 3.028 -3.644 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.366 -5.225 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.912 -4.656 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.311 -6.281 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.375 -5.424 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.243 -6.487 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.469 -4.999 7.701 1.00 0.00 H new ATOM 737 N GLN A 51 4.230 -5.204 11.047 1.00 0.00 N ATOM 738 CA GLN A 51 5.011 -5.560 12.226 1.00 0.00 C ATOM 739 C GLN A 51 5.499 -7.002 12.139 1.00 0.00 C ATOM 740 O GLN A 51 4.973 -7.800 11.364 1.00 0.00 O ATOM 741 CB GLN A 51 4.176 -5.366 13.493 1.00 0.00 C ATOM 742 CG GLN A 51 3.706 -3.936 13.699 1.00 0.00 C ATOM 743 CD GLN A 51 4.849 -2.982 13.987 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.741 -2.796 13.158 1.00 0.00 O ATOM 745 NE2 GLN A 51 4.829 -2.371 15.166 1.00 0.00 N ATOM 0 H GLN A 51 3.411 -5.791 10.890 1.00 0.00 H new ATOM 0 HA GLN A 51 5.880 -4.904 12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.307 -6.022 13.449 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.765 -5.674 14.357 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.173 -3.601 12.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.996 -3.906 14.525 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.071 -2.555 15.823 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.572 -1.718 15.415 1.00 0.00 H new ATOM 959 N LYS A 65 8.296 -2.798 7.625 1.00 0.00 N ATOM 960 CA LYS A 65 8.110 -2.233 6.294 1.00 0.00 C ATOM 961 C LYS A 65 6.827 -1.411 6.227 1.00 0.00 C ATOM 962 O LYS A 65 5.828 -1.746 6.863 1.00 0.00 O ATOM 963 CB LYS A 65 8.070 -3.347 5.245 1.00 0.00 C ATOM 964 CG LYS A 65 9.432 -3.945 4.941 1.00 0.00 C ATOM 965 CD LYS A 65 9.311 -5.351 4.377 1.00 0.00 C ATOM 966 CE LYS A 65 9.010 -5.329 2.886 1.00 0.00 C ATOM 967 NZ LYS A 65 10.109 -4.694 2.108 1.00 0.00 N ATOM 0 HA LYS A 65 8.954 -1.576 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.405 -4.138 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.642 -2.952 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.958 -3.310 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.032 -3.967 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.238 -5.896 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.520 -5.888 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.856 -6.348 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.081 -4.787 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.096 -5.053 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.977 -3.662 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.023 -4.922 2.549 1.00 0.00 H new ATOM 981 N VAL A 66 6.861 -0.332 5.450 1.00 0.00 N ATOM 982 CA VAL A 66 5.700 0.537 5.297 1.00 0.00 C ATOM 983 C VAL A 66 5.386 0.781 3.826 1.00 0.00 C ATOM 984 O VAL A 66 6.198 1.347 3.093 1.00 0.00 O ATOM 985 CB VAL A 66 5.917 1.892 5.996 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.870 2.761 5.191 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.588 2.600 6.210 1.00 0.00 C ATOM 0 H VAL A 66 7.680 -0.039 4.917 1.00 0.00 H new ATOM 0 HA VAL A 66 4.859 0.026 5.765 1.00 0.00 H new ATOM 0 HB VAL A 66 6.366 1.710 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.011 3.714 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.831 2.255 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.452 2.938 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.760 3.556 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.108 2.772 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.942 1.981 6.832 1.00 0.00 H new ATOM 997 N ILE A 67 4.203 0.351 3.399 1.00 0.00 N ATOM 998 CA ILE A 67 3.781 0.525 2.015 1.00 0.00 C ATOM 999 C ILE A 67 2.650 1.542 1.909 1.00 0.00 C ATOM 1000 O ILE A 67 1.478 1.202 2.074 1.00 0.00 O ATOM 1001 CB ILE A 67 3.319 -0.807 1.396 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.406 -1.872 1.554 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.967 -0.615 -0.072 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.861 -3.280 1.657 1.00 0.00 C ATOM 0 H ILE A 67 3.520 -0.120 3.992 1.00 0.00 H new ATOM 0 HA ILE A 67 4.648 0.891 1.464 1.00 0.00 H new ATOM 0 HB ILE A 67 2.426 -1.145 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.086 -1.815 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.992 -1.652 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.642 -1.565 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.163 0.116 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.843 -0.257 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.687 -3.983 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.204 -3.353 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.299 -3.519 0.754 1.00 0.00 H new ATOM 1016 N ARG A 68 3.008 2.791 1.630 1.00 0.00 N ATOM 1017 CA ARG A 68 2.023 3.858 1.500 1.00 0.00 C ATOM 1018 C ARG A 68 0.919 3.463 0.524 1.00 0.00 C ATOM 1019 O ARG A 68 1.189 2.925 -0.551 1.00 0.00 O ATOM 1020 CB ARG A 68 2.697 5.149 1.030 1.00 0.00 C ATOM 1021 CG ARG A 68 3.410 5.012 -0.305 1.00 0.00 C ATOM 1022 CD ARG A 68 4.782 4.376 -0.141 1.00 0.00 C ATOM 1023 NE ARG A 68 5.725 4.840 -1.155 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.024 4.566 -1.131 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.532 3.833 -0.150 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.818 5.024 -2.090 1.00 0.00 N ATOM 0 H ARG A 68 3.973 3.089 1.490 1.00 0.00 H new ATOM 0 HA ARG A 68 1.575 4.026 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.945 5.934 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.415 5.470 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.806 4.407 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.516 5.995 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.173 4.607 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.689 3.292 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 68 5.366 5.406 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.925 3.478 0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.530 3.624 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.431 5.587 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.816 4.813 -2.070 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.324 3.733 0.905 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.470 3.405 0.063 1.00 0.00 C ATOM 1042 C LEU A 69 -1.428 4.191 -1.243 1.00 0.00 C ATOM 1043 O LEU A 69 -2.185 3.910 -2.172 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.774 3.699 0.807 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.001 2.916 2.100 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.252 3.409 2.811 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.103 1.425 1.810 1.00 0.00 C ATOM 0 H LEU A 69 -0.565 4.178 1.791 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.425 2.342 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.803 4.763 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.607 3.497 0.133 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.146 3.081 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.397 2.840 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.140 4.466 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.117 3.275 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.265 0.883 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.939 1.242 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.179 1.081 1.346 1.00 0.00 H new ATOM 1059 N SER A 70 -0.537 5.175 -1.308 1.00 0.00 N ATOM 1060 CA SER A 70 -0.397 6.002 -2.500 1.00 0.00 C ATOM 1061 C SER A 70 0.345 5.249 -3.600 1.00 0.00 C ATOM 1062 O SER A 70 0.095 5.457 -4.788 1.00 0.00 O ATOM 1063 CB SER A 70 0.344 7.298 -2.164 1.00 0.00 C ATOM 1064 OG SER A 70 -0.562 8.318 -1.779 1.00 0.00 O ATOM 0 H SER A 70 0.099 5.419 -0.549 1.00 0.00 H new ATOM 0 HA SER A 70 -1.396 6.246 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.055 7.116 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.920 7.626 -3.029 1.00 0.00 H new ATOM 0 HG SER A 70 -0.064 9.135 -1.568 1.00 0.00 H new ATOM 1070 N ASP A 71 1.259 4.374 -3.196 1.00 0.00 N ATOM 1071 CA ASP A 71 2.038 3.588 -4.145 1.00 0.00 C ATOM 1072 C ASP A 71 1.183 2.493 -4.775 1.00 0.00 C ATOM 1073 O ASP A 71 1.396 2.109 -5.926 1.00 0.00 O ATOM 1074 CB ASP A 71 3.253 2.970 -3.452 1.00 0.00 C ATOM 1075 CG ASP A 71 4.431 3.922 -3.390 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.217 5.141 -3.552 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.568 3.447 -3.181 1.00 0.00 O ATOM 0 H ASP A 71 1.479 4.191 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 71 2.382 4.255 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.978 2.671 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.549 2.065 -3.982 1.00 0.00 H new ATOM 1082 N CYS A 72 0.217 1.992 -4.012 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.669 0.939 -4.495 1.00 0.00 C ATOM 1084 C CYS A 72 -1.262 1.306 -5.851 1.00 0.00 C ATOM 1085 O CYS A 72 -2.261 2.022 -5.930 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.790 0.685 -3.486 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.223 0.015 -1.905 1.00 0.00 S ATOM 0 H CYS A 72 0.028 2.298 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.081 0.029 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.319 1.621 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.509 -0.007 -3.925 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.243 -0.163 -1.119 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.640 0.812 -6.916 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.106 1.089 -8.270 1.00 0.00 C ATOM 1095 C LEU A 73 -2.547 0.626 -8.457 1.00 0.00 C ATOM 1096 O LEU A 73 -3.369 1.337 -9.035 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.200 0.400 -9.293 1.00 0.00 C ATOM 1098 CG LEU A 73 1.184 1.020 -9.488 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.153 -0.007 -10.053 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.101 2.235 -10.400 1.00 0.00 C ATOM 0 H LEU A 73 0.188 0.218 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.068 2.167 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.071 -0.640 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.712 0.393 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 73 1.556 1.345 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.133 0.452 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.236 -0.847 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.786 -0.363 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.095 2.663 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.708 1.935 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.440 2.979 -9.956 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.847 -0.571 -7.962 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.189 -1.129 -8.072 1.00 0.00 C ATOM 1114 C ARG A 74 -4.375 -2.295 -7.106 1.00 0.00 C ATOM 1115 O ARG A 74 -3.408 -2.941 -6.703 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.454 -1.594 -9.506 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.929 -1.626 -9.873 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.127 -1.801 -11.370 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.509 -2.136 -11.704 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.867 -2.736 -12.834 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -6.950 -3.064 -13.733 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.144 -3.008 -13.066 1.00 0.00 N ATOM 0 H ARG A 74 -2.178 -1.173 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.903 -0.347 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.931 -0.932 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.033 -2.591 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.419 -2.442 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.406 -0.702 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.843 -0.882 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.465 -2.587 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.239 -1.896 -11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.967 -2.856 -13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.227 -3.525 -14.600 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.852 -2.757 -12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.418 -3.469 -13.934 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.624 -2.557 -6.736 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.937 -3.645 -5.817 1.00 0.00 C ATOM 1138 C VAL A 75 -7.207 -4.374 -6.241 1.00 0.00 C ATOM 1139 O VAL A 75 -7.976 -3.877 -7.064 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.111 -3.130 -4.376 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.002 -2.152 -4.021 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.478 -2.485 -4.203 1.00 0.00 C ATOM 0 H VAL A 75 -6.436 -2.031 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.096 -4.338 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.046 -3.978 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.142 -1.799 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.037 -2.651 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.032 -1.304 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.584 -2.127 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.575 -1.647 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.256 -3.219 -4.413 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.422 -5.557 -5.674 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.600 -6.354 -5.991 1.00 0.00 C ATOM 1154 C ALA A 76 -8.831 -7.434 -4.939 1.00 0.00 C ATOM 1155 O ALA A 76 -8.040 -7.587 -4.010 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.458 -6.980 -7.370 1.00 0.00 C ATOM 0 H ALA A 76 -6.795 -5.984 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.466 -5.693 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.345 -7.573 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.349 -6.194 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.578 -7.623 -7.389 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.921 -8.179 -5.093 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.256 -9.244 -4.154 1.00 0.00 C ATOM 1164 C GLU A 77 -9.996 -10.615 -4.771 1.00 0.00 C ATOM 1165 O GLU A 77 -10.566 -10.960 -5.806 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.722 -9.135 -3.727 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.022 -7.900 -2.893 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.471 -7.466 -2.996 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.358 -8.263 -2.624 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.718 -6.328 -3.447 1.00 0.00 O ATOM 0 H GLU A 77 -10.586 -8.065 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.620 -9.133 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.351 -9.124 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.993 -10.023 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.780 -8.103 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.378 -7.082 -3.216 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.131 -11.392 -4.128 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.796 -12.726 -4.612 1.00 0.00 C ATOM 1179 C ALA A 78 -9.670 -13.786 -3.950 1.00 0.00 C ATOM 1180 O ALA A 78 -9.170 -14.791 -3.448 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.324 -13.022 -4.365 1.00 0.00 C ATOM 0 H ALA A 78 -8.649 -11.121 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.986 -12.755 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.087 -14.021 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.712 -12.289 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.116 -12.969 -3.296 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.846 -20.824 4.213 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.361 -20.113 5.378 1.00 0.00 C ATOM 1288 C ASP A 87 -11.771 -18.709 5.462 1.00 0.00 C ATOM 1289 O ASP A 87 -11.851 -18.051 6.500 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.044 -20.890 6.657 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.000 -20.560 7.786 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.047 -19.382 8.199 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.702 -21.479 8.257 1.00 0.00 O ATOM 0 HA ASP A 87 -13.442 -20.028 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.087 -21.959 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.024 -20.667 6.971 1.00 0.00 H new ATOM 1298 N THR A 88 -11.178 -18.254 4.362 1.00 0.00 N ATOM 1299 CA THR A 88 -10.573 -16.929 4.312 1.00 0.00 C ATOM 1300 C THR A 88 -10.656 -16.340 2.909 1.00 0.00 C ATOM 1301 O THR A 88 -11.010 -17.032 1.954 1.00 0.00 O ATOM 1302 CB THR A 88 -9.098 -16.968 4.754 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.396 -17.982 4.027 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.987 -17.239 6.247 1.00 0.00 C ATOM 0 H THR A 88 -11.104 -18.784 3.494 1.00 0.00 H new ATOM 0 HA THR A 88 -11.134 -16.299 5.002 1.00 0.00 H new ATOM 0 HB THR A 88 -8.653 -15.996 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.459 -17.999 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.936 -17.262 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.498 -16.450 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.448 -18.200 6.478 1.00 0.00 H new ATOM 1312 N SER A 89 -10.327 -15.057 2.790 1.00 0.00 N ATOM 1313 CA SER A 89 -10.368 -14.374 1.503 1.00 0.00 C ATOM 1314 C SER A 89 -9.196 -13.407 1.364 1.00 0.00 C ATOM 1315 O SER A 89 -9.181 -12.340 1.977 1.00 0.00 O ATOM 1316 CB SER A 89 -11.688 -13.618 1.344 1.00 0.00 C ATOM 1317 OG SER A 89 -12.791 -14.508 1.364 1.00 0.00 O ATOM 0 H SER A 89 -10.029 -14.470 3.570 1.00 0.00 H new ATOM 0 HA SER A 89 -10.292 -15.126 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.791 -12.888 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.682 -13.062 0.406 1.00 0.00 H new ATOM 0 HG SER A 89 -13.623 -14.000 1.262 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.215 -13.789 0.553 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.039 -12.956 0.331 1.00 0.00 C ATOM 1325 C ALA A 90 -7.334 -11.845 -0.670 1.00 0.00 C ATOM 1326 O ALA A 90 -8.274 -11.941 -1.460 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.873 -13.807 -0.150 1.00 0.00 C ATOM 0 H ALA A 90 -8.211 -14.670 0.039 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.769 -12.492 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.002 -13.172 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.638 -14.561 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.143 -14.298 -1.085 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.527 -10.790 -0.632 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.703 -9.659 -1.535 1.00 0.00 C ATOM 1335 C PHE A 91 -5.412 -9.362 -2.292 1.00 0.00 C ATOM 1336 O PHE A 91 -4.331 -9.795 -1.893 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.147 -8.420 -0.755 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.167 -7.992 0.299 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.086 -8.671 1.505 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.326 -6.913 0.084 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.185 -8.278 2.476 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.422 -6.516 1.052 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.351 -7.200 2.250 1.00 0.00 C ATOM 0 H PHE A 91 -5.744 -10.695 0.015 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.476 -9.920 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.300 -7.597 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.109 -8.622 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.734 -9.516 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.377 -6.375 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.133 -8.814 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.772 -5.672 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.645 -6.893 3.008 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.533 -8.620 -3.388 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.377 -8.265 -4.203 1.00 0.00 C ATOM 1355 C PHE A 92 -3.799 -6.922 -3.770 1.00 0.00 C ATOM 1356 O PHE A 92 -4.451 -6.149 -3.067 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.766 -8.213 -5.682 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.800 -9.562 -6.341 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.634 -10.155 -6.798 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.999 -10.239 -6.503 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.663 -11.396 -7.405 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.034 -11.480 -7.110 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.864 -12.060 -7.560 1.00 0.00 C ATOM 0 H PHE A 92 -6.420 -8.253 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.615 -9.031 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.747 -7.747 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.059 -7.576 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.692 -9.641 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.916 -9.791 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.747 -11.846 -7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.975 -11.996 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.888 -13.031 -8.032 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.569 -6.650 -4.194 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.900 -5.400 -3.850 1.00 0.00 C ATOM 1375 C LEU A 93 -0.701 -5.156 -4.761 1.00 0.00 C ATOM 1376 O LEU A 93 0.335 -5.804 -4.625 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.449 -5.425 -2.389 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.205 -4.063 -1.738 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.473 -4.227 -0.415 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.420 -3.157 -2.675 1.00 0.00 C ATOM 0 H LEU A 93 -2.015 -7.278 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.611 -4.585 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.203 -5.954 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.529 -6.007 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.171 -3.598 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.308 -3.247 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.073 -4.839 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.487 -4.713 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.256 -2.192 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.541 -3.616 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.983 -3.012 -3.597 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.850 -4.214 -5.687 1.00 0.00 N ATOM 1393 CA GLU A 94 0.222 -3.884 -6.619 1.00 0.00 C ATOM 1394 C GLU A 94 0.765 -2.483 -6.349 1.00 0.00 C ATOM 1395 O GLU A 94 0.023 -1.500 -6.378 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.279 -3.979 -8.062 1.00 0.00 C ATOM 1397 CG GLU A 94 0.837 -3.999 -9.093 1.00 0.00 C ATOM 1398 CD GLU A 94 0.315 -3.992 -10.517 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.744 -3.374 -10.757 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.965 -4.604 -11.390 1.00 0.00 O ATOM 0 H GLU A 94 -1.702 -3.666 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 94 1.029 -4.602 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.879 -4.882 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.936 -3.134 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.482 -3.133 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.452 -4.885 -8.940 1.00 0.00 H new ATOM 1407 N THR A 95 2.065 -2.399 -6.086 1.00 0.00 N ATOM 1408 CA THR A 95 2.708 -1.121 -5.809 1.00 0.00 C ATOM 1409 C THR A 95 3.941 -0.926 -6.683 1.00 0.00 C ATOM 1410 O THR A 95 4.508 -1.889 -7.200 1.00 0.00 O ATOM 1411 CB THR A 95 3.119 -1.008 -4.329 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.289 -1.795 -4.083 1.00 0.00 O ATOM 1413 CG2 THR A 95 1.991 -1.469 -3.417 1.00 0.00 C ATOM 0 H THR A 95 2.694 -3.202 -6.059 1.00 0.00 H new ATOM 0 HA THR A 95 1.978 -0.344 -6.036 1.00 0.00 H new ATOM 0 HB THR A 95 3.334 0.039 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.220 -2.644 -4.567 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.305 -1.380 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.111 -0.848 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.749 -2.509 -3.635 1.00 0.00 H new ATOM 1421 N LYS A 96 4.354 0.327 -6.844 1.00 0.00 N ATOM 1422 CA LYS A 96 5.522 0.650 -7.654 1.00 0.00 C ATOM 1423 C LYS A 96 6.646 -0.352 -7.413 1.00 0.00 C ATOM 1424 O LYS A 96 7.313 -0.788 -8.350 1.00 0.00 O ATOM 1425 CB LYS A 96 6.011 2.066 -7.340 1.00 0.00 C ATOM 1426 CG LYS A 96 5.182 3.156 -7.997 1.00 0.00 C ATOM 1427 CD LYS A 96 5.722 3.515 -9.371 1.00 0.00 C ATOM 1428 CE LYS A 96 4.732 4.362 -10.156 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.101 4.457 -11.595 1.00 0.00 N ATOM 0 H LYS A 96 3.896 1.136 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 96 5.231 0.597 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.000 2.214 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.047 2.164 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.148 2.824 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.178 4.043 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.661 4.058 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.942 2.603 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.734 3.932 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.689 5.362 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.402 5.042 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.042 4.890 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.117 3.505 -12.013 1.00 0.00 H new ATOM 1443 N GLU A 97 6.849 -0.714 -6.149 1.00 0.00 N ATOM 1444 CA GLU A 97 7.892 -1.666 -5.786 1.00 0.00 C ATOM 1445 C GLU A 97 7.654 -3.016 -6.458 1.00 0.00 C ATOM 1446 O GLU A 97 8.409 -3.422 -7.342 1.00 0.00 O ATOM 1447 CB GLU A 97 7.946 -1.842 -4.267 1.00 0.00 C ATOM 1448 CG GLU A 97 9.329 -2.192 -3.744 1.00 0.00 C ATOM 1449 CD GLU A 97 9.302 -2.688 -2.311 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.569 -2.096 -1.492 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.016 -3.668 -2.010 1.00 0.00 O ATOM 0 H GLU A 97 6.305 -0.362 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 97 8.847 -1.270 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.609 -0.921 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.247 -2.626 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.771 -2.958 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.971 -1.313 -3.809 1.00 0.00 H new ATOM 1458 N ARG A 98 6.602 -3.705 -6.030 1.00 0.00 N ATOM 1459 CA ARG A 98 6.266 -5.010 -6.588 1.00 0.00 C ATOM 1460 C ARG A 98 4.849 -5.420 -6.195 1.00 0.00 C ATOM 1461 O ARG A 98 4.182 -4.728 -5.426 1.00 0.00 O ATOM 1462 CB ARG A 98 7.265 -6.065 -6.111 1.00 0.00 C ATOM 1463 CG ARG A 98 7.222 -6.311 -4.611 1.00 0.00 C ATOM 1464 CD ARG A 98 6.233 -7.410 -4.255 1.00 0.00 C ATOM 1465 NE ARG A 98 6.610 -8.696 -4.836 1.00 0.00 N ATOM 1466 CZ ARG A 98 6.219 -9.867 -4.347 1.00 0.00 C ATOM 1467 NH1 ARG A 98 5.442 -9.914 -3.274 1.00 0.00 N ATOM 1468 NH2 ARG A 98 6.604 -10.994 -4.931 1.00 0.00 N ATOM 0 H ARG A 98 5.968 -3.382 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 98 6.317 -4.937 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.066 -7.003 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.271 -5.753 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.216 -6.586 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.945 -5.390 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.173 -7.506 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.240 -7.131 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 98 7.207 -8.694 -5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.143 -9.050 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.143 -10.815 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.201 -10.962 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.303 -11.893 -4.554 1.00 0.00 H new ATOM 1482 N LEU A 99 4.397 -6.550 -6.729 1.00 0.00 N ATOM 1483 CA LEU A 99 3.060 -7.053 -6.435 1.00 0.00 C ATOM 1484 C LEU A 99 3.070 -7.929 -5.186 1.00 0.00 C ATOM 1485 O LEU A 99 3.701 -8.986 -5.162 1.00 0.00 O ATOM 1486 CB LEU A 99 2.520 -7.848 -7.625 1.00 0.00 C ATOM 1487 CG LEU A 99 1.174 -8.543 -7.412 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.054 -7.519 -7.317 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.901 -9.532 -8.536 1.00 0.00 C ATOM 0 H LEU A 99 4.937 -7.135 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 99 2.409 -6.198 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.427 -7.173 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.257 -8.603 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 99 1.216 -9.094 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.896 -8.032 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.243 -6.850 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.011 -6.940 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.061 -10.017 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.879 -9.003 -9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.689 -10.285 -8.557 1.00 0.00 H new ATOM 1501 N TYR A 100 2.365 -7.484 -4.152 1.00 0.00 N ATOM 1502 CA TYR A 100 2.293 -8.227 -2.899 1.00 0.00 C ATOM 1503 C TYR A 100 0.964 -8.966 -2.780 1.00 0.00 C ATOM 1504 O TYR A 100 -0.100 -8.399 -3.030 1.00 0.00 O ATOM 1505 CB TYR A 100 2.472 -7.281 -1.710 1.00 0.00 C ATOM 1506 CG TYR A 100 3.765 -6.498 -1.748 1.00 0.00 C ATOM 1507 CD1 TYR A 100 3.890 -5.364 -2.543 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.861 -6.891 -0.991 1.00 0.00 C ATOM 1509 CE1 TYR A 100 5.069 -4.646 -2.582 1.00 0.00 C ATOM 1510 CE2 TYR A 100 6.044 -6.177 -1.023 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.143 -5.056 -1.819 1.00 0.00 C ATOM 1512 OH TYR A 100 7.319 -4.343 -1.855 1.00 0.00 O ATOM 0 H TYR A 100 1.835 -6.612 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 100 3.098 -8.962 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.635 -6.583 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.435 -7.860 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.051 -5.039 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.788 -7.769 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.150 -3.768 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.887 -6.496 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 100 7.182 -3.465 -1.441 1.00 0.00 H new ATOM 1522 N LEU A 101 1.034 -10.236 -2.396 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.163 -11.055 -2.242 1.00 0.00 C ATOM 1524 C LEU A 101 -0.364 -11.457 -0.784 1.00 0.00 C ATOM 1525 O LEU A 101 0.229 -12.426 -0.309 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.066 -12.305 -3.119 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.172 -13.344 -2.932 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.489 -12.828 -3.493 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.787 -14.658 -3.595 1.00 0.00 C ATOM 0 H LEU A 101 1.907 -10.721 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.022 -10.463 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.062 -11.992 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.893 -12.786 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.300 -13.522 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.265 -13.581 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.772 -11.913 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.375 -12.621 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.586 -15.386 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.631 -14.495 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.132 -15.036 -3.147 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.206 -10.708 -0.081 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.489 -10.987 1.323 1.00 0.00 C ATOM 1543 C LEU A 102 -2.857 -11.642 1.484 1.00 0.00 C ATOM 1544 O LEU A 102 -3.698 -11.572 0.589 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.429 -9.697 2.142 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.057 -9.029 2.243 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.163 -8.083 1.072 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.078 -8.286 3.564 1.00 0.00 C ATOM 0 H LEU A 102 -1.705 -9.903 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.731 -11.679 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.128 -8.982 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.780 -9.914 3.151 1.00 0.00 H new ATOM 0 HG LEU A 102 0.708 -9.805 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.144 -7.617 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.110 -8.642 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.607 -7.312 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.060 -7.817 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.694 -7.520 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.035 -8.988 4.390 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.072 -12.277 2.631 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.339 -12.941 2.911 1.00 0.00 C ATOM 1562 C ALA A 103 -5.084 -12.245 4.046 1.00 0.00 C ATOM 1563 O ALA A 103 -4.470 -11.647 4.929 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.105 -14.405 3.251 1.00 0.00 C ATOM 0 H ALA A 103 -2.385 -12.346 3.382 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.957 -12.882 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.060 -14.888 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.622 -14.901 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.465 -14.476 4.130 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.410 -12.328 4.015 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.238 -11.708 5.042 1.00 0.00 C ATOM 1572 C ALA A 104 -8.532 -12.489 5.250 1.00 0.00 C ATOM 1573 O ALA A 104 -9.020 -13.178 4.354 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.544 -10.265 4.673 1.00 0.00 C ATOM 0 H ALA A 104 -6.934 -12.818 3.290 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.682 -11.722 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.163 -9.814 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.612 -9.707 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.077 -10.238 3.722 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.101 -12.381 6.459 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.346 -13.070 6.813 1.00 0.00 C ATOM 1582 C PRO A 105 -11.555 -12.494 6.083 1.00 0.00 C ATOM 1583 O PRO A 105 -11.889 -11.321 6.247 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.468 -12.832 8.320 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.704 -11.578 8.568 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.575 -11.577 7.575 1.00 0.00 C ATOM 0 HA PRO A 105 -10.322 -14.124 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.510 -12.727 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.055 -13.666 8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.339 -10.702 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.325 -11.548 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.321 -10.566 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.670 -12.016 7.995 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.207 -13.326 5.278 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.380 -12.900 4.526 1.00 0.00 C ATOM 1596 C ALA A 106 -14.310 -12.057 5.391 1.00 0.00 C ATOM 1597 O ALA A 106 -15.108 -11.271 4.880 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.121 -14.109 3.973 1.00 0.00 C ATOM 0 H ALA A 106 -11.942 -14.300 5.130 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.043 -12.283 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.995 -13.775 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.460 -14.670 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.440 -14.748 4.796 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.204 -12.226 6.705 1.00 0.00 N ATOM 1605 CA ALA A 107 -15.035 -11.480 7.642 1.00 0.00 C ATOM 1606 C ALA A 107 -14.664 -10.001 7.647 1.00 0.00 C ATOM 1607 O ALA A 107 -15.536 -9.134 7.678 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.907 -12.063 9.041 1.00 0.00 C ATOM 0 H ALA A 107 -13.550 -12.874 7.145 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.072 -11.567 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.533 -11.496 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.228 -13.104 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.868 -12.007 9.365 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.365 -9.721 7.616 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.880 -8.346 7.618 1.00 0.00 C ATOM 1616 C GLU A 108 -12.612 -7.861 6.196 1.00 0.00 C ATOM 1617 O GLU A 108 -12.600 -6.659 5.931 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.605 -8.233 8.456 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.688 -8.953 9.791 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.469 -8.713 10.660 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.339 -8.806 10.135 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.644 -8.433 11.865 1.00 0.00 O ATOM 0 H GLU A 108 -12.630 -10.428 7.589 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.653 -7.716 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.769 -8.638 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.389 -7.179 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.580 -8.622 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.800 -10.023 9.616 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.397 -8.805 5.286 1.00 0.00 N ATOM 1630 CA ARG A 109 -12.128 -8.475 3.892 1.00 0.00 C ATOM 1631 C ARG A 109 -13.058 -7.367 3.406 1.00 0.00 C ATOM 1632 O ARG A 109 -12.609 -6.361 2.859 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.290 -9.715 3.011 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.802 -9.518 1.585 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.534 -10.430 0.614 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.858 -9.916 0.273 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.671 -10.501 -0.600 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.298 -11.614 -1.216 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.860 -9.972 -0.858 1.00 0.00 N ATOM 0 H ARG A 109 -12.404 -9.805 5.489 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.100 -8.120 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.744 -10.544 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.342 -10.000 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.948 -8.479 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.731 -9.716 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.943 -10.541 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.633 -11.423 1.053 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.176 -9.061 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.385 -12.024 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.924 -12.061 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.150 -9.116 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.484 -10.422 -1.528 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.358 -7.561 3.609 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.331 -6.571 3.185 1.00 0.00 C ATOM 1655 C GLY A 110 -14.867 -5.152 3.448 1.00 0.00 C ATOM 1656 O GLY A 110 -14.919 -4.301 2.560 1.00 0.00 O ATOM 0 H GLY A 110 -14.754 -8.386 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.529 -6.694 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.272 -6.745 3.706 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.412 -4.897 4.670 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.938 -3.571 5.047 1.00 0.00 C ATOM 1662 C ASP A 111 -12.532 -3.324 4.509 1.00 0.00 C ATOM 1663 O ASP A 111 -12.299 -2.368 3.768 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.949 -3.416 6.569 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.535 -4.687 7.284 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.416 -5.526 7.560 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.328 -4.841 7.567 1.00 0.00 O ATOM 0 H ASP A 111 -14.362 -5.591 5.416 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.611 -2.833 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.276 -2.607 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -14.949 -3.129 6.895 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.598 -4.189 4.887 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.215 -4.064 4.443 1.00 0.00 C ATOM 1674 C TRP A 112 -10.147 -3.514 3.023 1.00 0.00 C ATOM 1675 O TRP A 112 -9.718 -2.380 2.806 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.510 -5.420 4.513 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.901 -5.705 5.852 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -9.211 -6.738 6.690 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.880 -4.946 6.509 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.443 -6.667 7.828 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.619 -5.577 7.740 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.161 -3.795 6.175 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.669 -5.094 8.637 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.219 -3.317 7.066 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.979 -3.966 8.285 1.00 0.00 C ATOM 0 H TRP A 112 -11.773 -4.985 5.500 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.708 -3.365 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.226 -6.206 4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.730 -5.456 3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.951 -7.499 6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.481 -7.320 8.611 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.338 -3.288 5.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.484 -5.592 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.658 -2.428 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.235 -3.568 8.959 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.572 -4.323 2.058 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.560 -3.916 0.658 1.00 0.00 C ATOM 1698 C VAL A 113 -11.236 -2.562 0.474 1.00 0.00 C ATOM 1699 O VAL A 113 -10.781 -1.734 -0.315 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.265 -4.955 -0.234 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.347 -4.458 -1.669 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.545 -6.293 -0.164 1.00 0.00 C ATOM 0 H VAL A 113 -10.929 -5.265 2.220 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.515 -3.841 0.359 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.281 -5.096 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.848 -5.205 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.910 -3.525 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.341 -4.287 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.057 -7.015 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.517 -6.172 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.544 -6.652 0.865 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.322 -2.344 1.208 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.060 -1.089 1.125 1.00 0.00 C ATOM 1714 C GLN A 114 -12.191 0.084 1.563 1.00 0.00 C ATOM 1715 O GLN A 114 -11.841 0.946 0.757 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.321 -1.157 1.989 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.450 -0.270 1.488 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.553 -0.095 2.513 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -16.796 -0.977 3.337 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.227 1.048 2.468 1.00 0.00 N ATOM 0 H GLN A 114 -12.710 -3.019 1.866 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.348 -0.934 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.670 -2.189 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.068 -0.868 3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.048 0.708 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.869 -0.701 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.992 1.752 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.980 1.223 3.134 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.845 0.111 2.846 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.015 1.178 3.392 1.00 0.00 C ATOM 1731 C ALA A 115 -9.787 1.418 2.520 1.00 0.00 C ATOM 1732 O ALA A 115 -9.537 2.542 2.081 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.595 0.844 4.816 1.00 0.00 C ATOM 0 H ALA A 115 -12.127 -0.594 3.527 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.606 2.094 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.976 1.649 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.482 0.729 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.026 -0.086 4.819 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.026 0.358 2.272 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.825 0.455 1.452 1.00 0.00 C ATOM 1741 C ILE A 116 -8.141 1.049 0.083 1.00 0.00 C ATOM 1742 O ILE A 116 -7.460 1.965 -0.380 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.160 -0.921 1.261 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.682 -1.471 2.607 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.000 -0.818 0.282 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.319 -2.939 2.564 1.00 0.00 C ATOM 0 H ILE A 116 -9.220 -0.578 2.627 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.135 1.112 1.981 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.897 -1.610 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.814 -0.900 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.464 -1.320 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.541 -1.799 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.367 -0.465 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.260 -0.117 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.989 -3.261 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.191 -3.521 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.515 -3.094 1.844 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.177 0.522 -0.559 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.585 1.000 -1.875 1.00 0.00 C ATOM 1760 C CYS A 117 -10.221 2.383 -1.778 1.00 0.00 C ATOM 1761 O CYS A 117 -10.308 3.109 -2.769 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.566 0.018 -2.517 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.992 0.412 -4.229 1.00 0.00 S ATOM 0 H CYS A 117 -9.750 -0.237 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.695 1.072 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.136 -0.983 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.480 -0.007 -1.923 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.908 1.696 -4.412 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.667 2.740 -0.579 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.297 4.036 -0.352 1.00 0.00 C ATOM 1771 C LEU A 118 -10.248 5.124 -0.147 1.00 0.00 C ATOM 1772 O LEU A 118 -10.493 6.298 -0.427 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.224 3.969 0.863 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.670 3.559 0.583 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.422 3.330 1.885 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.370 4.616 -0.259 1.00 0.00 C ATOM 0 H LEU A 118 -10.604 2.151 0.251 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.884 4.286 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.800 3.265 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.232 4.947 1.343 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.660 2.624 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.449 3.039 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.934 2.538 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.423 4.249 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.398 4.308 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.369 5.566 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.845 4.732 -1.207 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.079 4.726 0.342 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.990 5.667 0.583 1.00 0.00 C ATOM 1790 C LEU A 119 -6.949 5.591 -0.529 1.00 0.00 C ATOM 1791 O LEU A 119 -6.626 6.597 -1.160 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.332 5.380 1.934 1.00 0.00 C ATOM 1793 CG LEU A 119 -8.084 5.884 3.167 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.545 5.225 4.427 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.983 7.399 3.270 1.00 0.00 C ATOM 0 H LEU A 119 -8.860 3.758 0.579 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.408 6.674 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.199 4.302 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.337 5.825 1.933 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.135 5.616 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.092 5.596 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.669 4.145 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.487 5.462 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.524 7.741 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.935 7.689 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.418 7.854 2.380 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.428 4.391 -0.764 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.427 4.183 -1.803 1.00 0.00 C ATOM 1809 C ALA A 120 -5.851 4.837 -3.113 1.00 0.00 C ATOM 1810 O ALA A 120 -5.012 5.188 -3.943 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.181 2.695 -2.008 1.00 0.00 C ATOM 0 H ALA A 120 -6.683 3.548 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.498 4.652 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.431 2.554 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.825 2.253 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.110 2.210 -2.307 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.158 4.998 -3.293 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.693 5.609 -4.504 1.00 0.00 C ATOM 1819 C PHE A 121 -8.679 6.722 -4.162 1.00 0.00 C ATOM 1820 O PHE A 121 -9.691 6.900 -4.839 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.381 4.553 -5.372 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.576 3.296 -5.537 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.452 2.394 -4.493 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.942 3.016 -6.737 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.712 1.236 -4.642 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.201 1.859 -6.892 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.085 0.969 -5.843 1.00 0.00 C ATOM 0 H PHE A 121 -7.866 4.714 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.862 6.042 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.345 4.302 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.583 4.978 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.939 2.598 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.028 3.709 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.624 0.541 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.713 1.652 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.505 0.066 -5.961 1.00 0.00 H new