USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -0.0289 (180deg=-0.354) USER MOD Single : A 15 GLN : amide:sc= -0.0744 K(o=-0.074,f=-0.9) 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 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -130:sc= -4.8! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 3:sc= 0.19 USER MOD Single : A 95 THR OG1 : rot -38:sc= 0.419 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 CYS SG : rot -23:sc= 0.00345 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.219 4.012 12.147 1.00 0.00 N ATOM 120 CA VAL A 13 -8.655 3.868 11.940 1.00 0.00 C ATOM 121 C VAL A 13 -9.108 2.437 12.210 1.00 0.00 C ATOM 122 O VAL A 13 -9.989 2.198 13.036 1.00 0.00 O ATOM 123 CB VAL A 13 -9.058 4.260 10.506 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.553 4.069 10.301 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.651 5.696 10.213 1.00 0.00 C ATOM 0 HA VAL A 13 -9.145 4.541 12.644 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.533 3.608 9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.820 4.351 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.813 3.024 10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.100 4.696 11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.943 5.957 9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.147 6.365 10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.571 5.796 10.317 1.00 0.00 H new ATOM 135 N LYS A 14 -8.499 1.487 11.509 1.00 0.00 N ATOM 136 CA LYS A 14 -8.837 0.078 11.673 1.00 0.00 C ATOM 137 C LYS A 14 -7.609 -0.733 12.072 1.00 0.00 C ATOM 138 O LYS A 14 -6.486 -0.406 11.686 1.00 0.00 O ATOM 139 CB LYS A 14 -9.431 -0.479 10.377 1.00 0.00 C ATOM 140 CG LYS A 14 -9.758 -1.961 10.446 1.00 0.00 C ATOM 141 CD LYS A 14 -9.836 -2.579 9.060 1.00 0.00 C ATOM 142 CE LYS A 14 -10.332 -4.016 9.118 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.738 -4.098 9.603 1.00 0.00 N ATOM 0 H LYS A 14 -7.768 1.667 10.821 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.578 -0.002 12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.339 0.074 10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.728 -0.308 9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.997 -2.476 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.708 -2.102 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.504 -1.987 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.852 -2.551 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.263 -4.464 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.686 -4.597 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.129 -5.035 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.759 -3.953 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.309 -3.364 9.138 1.00 0.00 H new ATOM 157 N GLN A 15 -7.830 -1.792 12.843 1.00 0.00 N ATOM 158 CA GLN A 15 -6.740 -2.650 13.293 1.00 0.00 C ATOM 159 C GLN A 15 -7.029 -4.112 12.969 1.00 0.00 C ATOM 160 O GLN A 15 -8.185 -4.514 12.843 1.00 0.00 O ATOM 161 CB GLN A 15 -6.518 -2.483 14.797 1.00 0.00 C ATOM 162 CG GLN A 15 -5.558 -1.358 15.149 1.00 0.00 C ATOM 163 CD GLN A 15 -4.983 -1.498 16.545 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.695 -2.604 17.003 1.00 0.00 O ATOM 165 NE2 GLN A 15 -4.812 -0.373 17.230 1.00 0.00 N ATOM 0 H GLN A 15 -8.753 -2.077 13.169 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.835 -2.351 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.477 -2.295 15.279 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.134 -3.418 15.205 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.744 -1.340 14.425 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.078 -0.403 15.068 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.064 0.522 16.811 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.428 -0.404 18.175 1.00 0.00 H new ATOM 174 N GLY A 16 -5.969 -4.904 12.835 1.00 0.00 N ATOM 175 CA GLY A 16 -6.130 -6.313 12.526 1.00 0.00 C ATOM 176 C GLY A 16 -4.808 -7.002 12.253 1.00 0.00 C ATOM 177 O GLY A 16 -3.756 -6.539 12.693 1.00 0.00 O ATOM 0 H GLY A 16 -5.002 -4.595 12.935 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.630 -6.809 13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.778 -6.419 11.656 1.00 0.00 H new ATOM 181 N PHE A 17 -4.860 -8.113 11.526 1.00 0.00 N ATOM 182 CA PHE A 17 -3.658 -8.869 11.198 1.00 0.00 C ATOM 183 C PHE A 17 -3.669 -9.300 9.734 1.00 0.00 C ATOM 184 O PHE A 17 -4.688 -9.762 9.218 1.00 0.00 O ATOM 185 CB PHE A 17 -3.539 -10.098 12.101 1.00 0.00 C ATOM 186 CG PHE A 17 -3.334 -9.759 13.550 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.077 -9.419 14.024 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.397 -9.782 14.438 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.885 -9.106 15.357 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.211 -9.470 15.771 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.953 -9.133 16.232 1.00 0.00 C ATOM 0 H PHE A 17 -5.722 -8.510 11.153 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.797 -8.221 11.362 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.441 -10.701 12.001 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.706 -10.712 11.758 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.238 -9.398 13.344 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.382 -10.047 14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.901 -8.841 15.714 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.049 -9.490 16.452 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.805 -8.891 17.274 1.00 0.00 H new ATOM 201 N LEU A 18 -2.529 -9.144 9.069 1.00 0.00 N ATOM 202 CA LEU A 18 -2.406 -9.516 7.664 1.00 0.00 C ATOM 203 C LEU A 18 -1.281 -10.527 7.464 1.00 0.00 C ATOM 204 O LEU A 18 -0.320 -10.562 8.233 1.00 0.00 O ATOM 205 CB LEU A 18 -2.149 -8.274 6.808 1.00 0.00 C ATOM 206 CG LEU A 18 -3.335 -7.326 6.629 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.904 -6.065 5.895 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.466 -8.019 5.884 1.00 0.00 C ATOM 0 H LEU A 18 -1.677 -8.763 9.480 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.343 -9.977 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.326 -7.714 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.817 -8.599 5.822 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.699 -7.041 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.761 -5.402 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.129 -5.557 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.513 -6.331 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.301 -7.328 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.115 -8.335 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.794 -8.891 6.450 1.00 0.00 H new ATOM 220 N TYR A 19 -1.406 -11.346 6.426 1.00 0.00 N ATOM 221 CA TYR A 19 -0.400 -12.357 6.125 1.00 0.00 C ATOM 222 C TYR A 19 0.285 -12.065 4.793 1.00 0.00 C ATOM 223 O TYR A 19 -0.375 -11.798 3.788 1.00 0.00 O ATOM 224 CB TYR A 19 -1.039 -13.747 6.089 1.00 0.00 C ATOM 225 CG TYR A 19 -2.093 -13.957 7.152 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.737 -14.216 8.470 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.446 -13.895 6.839 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.697 -14.409 9.444 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.412 -14.085 7.807 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.033 -14.342 9.108 1.00 0.00 C ATOM 231 OH TYR A 19 -4.992 -14.533 10.077 1.00 0.00 O ATOM 0 H TYR A 19 -2.194 -11.330 5.779 1.00 0.00 H new ATOM 0 HA TYR A 19 0.353 -12.330 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.487 -13.906 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.259 -14.499 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.692 -14.267 8.737 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.747 -13.695 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.403 -14.611 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.459 -14.033 7.547 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.883 -14.452 9.676 1.00 0.00 H new ATOM 241 N LEU A 20 1.612 -12.119 4.794 1.00 0.00 N ATOM 242 CA LEU A 20 2.389 -11.861 3.587 1.00 0.00 C ATOM 243 C LEU A 20 3.187 -13.095 3.179 1.00 0.00 C ATOM 244 O LEU A 20 3.981 -13.618 3.961 1.00 0.00 O ATOM 245 CB LEU A 20 3.334 -10.679 3.807 1.00 0.00 C ATOM 246 CG LEU A 20 4.455 -10.514 2.781 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.900 -10.593 1.367 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.187 -9.198 2.996 1.00 0.00 C ATOM 0 H LEU A 20 2.173 -12.339 5.617 1.00 0.00 H new ATOM 0 HA LEU A 20 1.694 -11.618 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.742 -9.764 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.785 -10.779 4.794 1.00 0.00 H new ATOM 0 HG LEU A 20 5.167 -11.328 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.712 -10.473 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.423 -11.562 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.166 -9.801 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.981 -9.098 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.486 -8.370 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.619 -9.181 3.997 1.00 0.00 H new ATOM 260 N GLN A 21 2.971 -13.554 1.950 1.00 0.00 N ATOM 261 CA GLN A 21 3.672 -14.726 1.439 1.00 0.00 C ATOM 262 C GLN A 21 5.114 -14.384 1.079 1.00 0.00 C ATOM 263 O GLN A 21 5.366 -13.512 0.248 1.00 0.00 O ATOM 264 CB GLN A 21 2.947 -15.285 0.214 1.00 0.00 C ATOM 265 CG GLN A 21 3.404 -16.681 -0.178 1.00 0.00 C ATOM 266 CD GLN A 21 2.665 -17.218 -1.389 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.138 -17.103 -2.520 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.499 -17.809 -1.157 1.00 0.00 N ATOM 0 H GLN A 21 2.317 -13.132 1.291 1.00 0.00 H new ATOM 0 HA GLN A 21 3.683 -15.483 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.876 -15.305 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.102 -14.611 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.473 -16.664 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.255 -17.358 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.145 -17.882 -0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.957 -18.190 -1.933 1.00 0.00 H new ATOM 413 N TRP A 30 2.915 -18.930 4.905 1.00 0.00 N ATOM 414 CA TRP A 30 2.228 -17.700 5.281 1.00 0.00 C ATOM 415 C TRP A 30 2.702 -17.205 6.643 1.00 0.00 C ATOM 416 O TRP A 30 2.533 -17.887 7.654 1.00 0.00 O ATOM 417 CB TRP A 30 0.715 -17.923 5.305 1.00 0.00 C ATOM 418 CG TRP A 30 0.085 -17.868 3.946 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.446 -18.914 3.246 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.077 -16.708 3.122 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.929 -18.474 2.037 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.715 -17.124 1.937 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.253 -15.359 3.271 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.027 -16.238 0.910 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.057 -14.480 2.251 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.693 -14.923 1.083 1.00 0.00 C ATOM 0 HA TRP A 30 2.465 -16.940 4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.505 -18.893 5.756 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.254 -17.169 5.942 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.481 -19.937 3.592 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.375 -19.058 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.742 -15.009 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.516 -16.577 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.195 -13.435 2.355 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.924 -14.212 0.304 1.00 0.00 H new ATOM 437 N ARG A 31 3.297 -16.016 6.662 1.00 0.00 N ATOM 438 CA ARG A 31 3.796 -15.432 7.901 1.00 0.00 C ATOM 439 C ARG A 31 2.818 -14.395 8.446 1.00 0.00 C ATOM 440 O ARG A 31 2.217 -13.635 7.687 1.00 0.00 O ATOM 441 CB ARG A 31 5.164 -14.787 7.670 1.00 0.00 C ATOM 442 CG ARG A 31 6.273 -15.791 7.402 1.00 0.00 C ATOM 443 CD ARG A 31 6.831 -16.363 8.696 1.00 0.00 C ATOM 444 NE ARG A 31 7.470 -17.660 8.491 1.00 0.00 N ATOM 445 CZ ARG A 31 7.826 -18.469 9.482 1.00 0.00 C ATOM 446 NH1 ARG A 31 7.607 -18.117 10.741 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.403 -19.634 9.215 1.00 0.00 N ATOM 0 H ARG A 31 3.445 -15.439 5.834 1.00 0.00 H new ATOM 0 HA ARG A 31 3.898 -16.231 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.095 -14.101 6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.428 -14.192 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.890 -16.600 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.074 -15.309 6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.554 -15.665 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.026 -16.467 9.423 1.00 0.00 H new ATOM 0 HE ARG A 31 7.653 -17.961 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.164 -17.223 10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.882 -18.741 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.573 -19.909 8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.676 -20.254 9.977 1.00 0.00 H new ATOM 461 N ARG A 32 2.665 -14.371 9.766 1.00 0.00 N ATOM 462 CA ARG A 32 1.759 -13.429 10.412 1.00 0.00 C ATOM 463 C ARG A 32 2.481 -12.130 10.757 1.00 0.00 C ATOM 464 O ARG A 32 3.604 -12.146 11.259 1.00 0.00 O ATOM 465 CB ARG A 32 1.166 -14.047 11.680 1.00 0.00 C ATOM 466 CG ARG A 32 0.029 -13.235 12.279 1.00 0.00 C ATOM 467 CD ARG A 32 -0.847 -14.086 13.185 1.00 0.00 C ATOM 468 NE ARG A 32 -1.983 -13.335 13.711 1.00 0.00 N ATOM 469 CZ ARG A 32 -3.086 -13.905 14.184 1.00 0.00 C ATOM 470 NH1 ARG A 32 -3.199 -15.226 14.197 1.00 0.00 N ATOM 471 NH2 ARG A 32 -4.077 -13.154 14.646 1.00 0.00 N ATOM 0 H ARG A 32 3.156 -14.993 10.408 1.00 0.00 H new ATOM 0 HA ARG A 32 0.953 -13.203 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.804 -15.049 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.955 -14.156 12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.437 -12.399 12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.577 -12.811 11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.210 -14.951 12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.250 -14.467 14.013 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.927 -12.317 13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.438 -15.806 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.047 -15.662 14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.993 -12.138 14.638 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.923 -13.593 15.009 1.00 0.00 H new ATOM 485 N PHE A 33 1.828 -11.005 10.482 1.00 0.00 N ATOM 486 CA PHE A 33 2.408 -9.697 10.761 1.00 0.00 C ATOM 487 C PHE A 33 1.333 -8.709 11.204 1.00 0.00 C ATOM 488 O PHE A 33 0.190 -8.774 10.754 1.00 0.00 O ATOM 489 CB PHE A 33 3.129 -9.161 9.523 1.00 0.00 C ATOM 490 CG PHE A 33 4.161 -10.104 8.975 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.315 -10.383 9.691 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.978 -10.713 7.744 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.266 -11.251 9.190 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.926 -11.583 7.238 1.00 0.00 C ATOM 495 CZ PHE A 33 6.072 -11.851 7.961 1.00 0.00 C ATOM 0 H PHE A 33 0.897 -10.974 10.066 1.00 0.00 H new ATOM 0 HA PHE A 33 3.128 -9.812 11.571 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.393 -8.950 8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.609 -8.215 9.773 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.472 -9.916 10.652 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.085 -10.506 7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.160 -11.460 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.771 -12.053 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.815 -12.528 7.566 1.00 0.00 H new ATOM 505 N GLY A 34 1.709 -7.793 12.092 1.00 0.00 N ATOM 506 CA GLY A 34 0.766 -6.805 12.583 1.00 0.00 C ATOM 507 C GLY A 34 0.357 -5.812 11.513 1.00 0.00 C ATOM 508 O GLY A 34 1.205 -5.165 10.900 1.00 0.00 O ATOM 0 H GLY A 34 2.649 -7.718 12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.121 -7.311 12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.210 -6.269 13.422 1.00 0.00 H new ATOM 512 N ALA A 35 -0.948 -5.694 11.286 1.00 0.00 N ATOM 513 CA ALA A 35 -1.468 -4.773 10.282 1.00 0.00 C ATOM 514 C ALA A 35 -2.180 -3.594 10.936 1.00 0.00 C ATOM 515 O ALA A 35 -3.130 -3.775 11.698 1.00 0.00 O ATOM 516 CB ALA A 35 -2.410 -5.502 9.336 1.00 0.00 C ATOM 0 H ALA A 35 -1.664 -6.224 11.783 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.626 -4.383 9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.791 -4.803 8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.872 -6.307 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.243 -5.919 9.902 1.00 0.00 H new ATOM 522 N SER A 36 -1.714 -2.386 10.634 1.00 0.00 N ATOM 523 CA SER A 36 -2.304 -1.177 11.196 1.00 0.00 C ATOM 524 C SER A 36 -2.612 -0.162 10.100 1.00 0.00 C ATOM 525 O SER A 36 -1.717 0.277 9.375 1.00 0.00 O ATOM 526 CB SER A 36 -1.361 -0.557 12.230 1.00 0.00 C ATOM 527 OG SER A 36 -1.028 -1.493 13.241 1.00 0.00 O ATOM 0 H SER A 36 -0.930 -2.219 10.003 1.00 0.00 H new ATOM 0 HA SER A 36 -3.238 -1.452 11.685 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.453 -0.210 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.833 0.317 12.680 1.00 0.00 H new ATOM 0 HG SER A 36 -0.423 -1.074 13.889 1.00 0.00 H new ATOM 533 N LEU A 37 -3.882 0.207 9.983 1.00 0.00 N ATOM 534 CA LEU A 37 -4.310 1.170 8.975 1.00 0.00 C ATOM 535 C LEU A 37 -4.352 2.581 9.553 1.00 0.00 C ATOM 536 O LEU A 37 -5.125 2.866 10.468 1.00 0.00 O ATOM 537 CB LEU A 37 -5.688 0.790 8.430 1.00 0.00 C ATOM 538 CG LEU A 37 -6.082 1.428 7.097 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.160 0.954 5.985 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.532 1.111 6.762 1.00 0.00 C ATOM 0 H LEU A 37 -4.634 -0.146 10.574 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.586 1.151 8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.726 -0.293 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.438 1.059 9.174 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.979 2.509 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.456 1.418 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.133 1.233 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.229 -0.130 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.795 1.573 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.661 0.031 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.180 1.502 7.546 1.00 0.00 H new ATOM 552 N TYR A 38 -3.517 3.461 9.012 1.00 0.00 N ATOM 553 CA TYR A 38 -3.458 4.843 9.474 1.00 0.00 C ATOM 554 C TYR A 38 -3.973 5.798 8.402 1.00 0.00 C ATOM 555 O TYR A 38 -3.847 5.535 7.207 1.00 0.00 O ATOM 556 CB TYR A 38 -2.025 5.214 9.858 1.00 0.00 C ATOM 557 CG TYR A 38 -1.432 4.319 10.922 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.786 4.467 12.258 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.517 3.327 10.594 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.247 3.652 13.235 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.027 2.507 11.563 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.341 2.673 12.882 1.00 0.00 C ATOM 563 OH TYR A 38 0.199 1.859 13.851 1.00 0.00 O ATOM 0 H TYR A 38 -2.872 3.242 8.253 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.097 4.933 10.352 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.397 5.172 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.008 6.245 10.211 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.495 5.232 12.537 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.226 3.194 9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.533 3.780 14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.737 1.740 11.290 1.00 0.00 H new ATOM 0 HH TYR A 38 0.818 1.223 13.436 1.00 0.00 H new ATOM 573 N GLY A 39 -4.554 6.911 8.840 1.00 0.00 N ATOM 574 CA GLY A 39 -5.080 7.891 7.907 1.00 0.00 C ATOM 575 C GLY A 39 -6.511 8.279 8.219 1.00 0.00 C ATOM 576 O GLY A 39 -6.892 8.391 9.383 1.00 0.00 O ATOM 0 H GLY A 39 -4.670 7.152 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.452 8.782 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.028 7.489 6.895 1.00 0.00 H new ATOM 650 N ALA A 46 -1.744 8.541 4.643 1.00 0.00 N ATOM 651 CA ALA A 46 -2.219 7.179 4.852 1.00 0.00 C ATOM 652 C ALA A 46 -1.191 6.160 4.373 1.00 0.00 C ATOM 653 O ALA A 46 -0.671 6.263 3.262 1.00 0.00 O ATOM 654 CB ALA A 46 -3.546 6.968 4.139 1.00 0.00 C ATOM 0 HA ALA A 46 -2.367 7.032 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.889 5.947 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.285 7.667 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.416 7.139 3.070 1.00 0.00 H new ATOM 660 N ARG A 47 -0.903 5.175 5.218 1.00 0.00 N ATOM 661 CA ARG A 47 0.065 4.138 4.881 1.00 0.00 C ATOM 662 C ARG A 47 -0.201 2.866 5.682 1.00 0.00 C ATOM 663 O ARG A 47 -0.755 2.916 6.781 1.00 0.00 O ATOM 664 CB ARG A 47 1.488 4.633 5.146 1.00 0.00 C ATOM 665 CG ARG A 47 1.709 5.119 6.570 1.00 0.00 C ATOM 666 CD ARG A 47 3.103 5.698 6.750 1.00 0.00 C ATOM 667 NE ARG A 47 3.402 5.977 8.152 1.00 0.00 N ATOM 668 CZ ARG A 47 4.531 6.544 8.564 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.462 6.890 7.686 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.730 6.766 9.857 1.00 0.00 N ATOM 0 H ARG A 47 -1.326 5.073 6.141 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.040 3.908 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.190 3.826 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.716 5.444 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.965 5.876 6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.565 4.292 7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.840 4.999 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.192 6.617 6.170 1.00 0.00 H new ATOM 0 HE ARG A 47 2.706 5.723 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.313 6.721 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.328 7.325 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.016 6.501 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.597 7.201 10.172 1.00 0.00 H new ATOM 684 N LEU A 48 0.198 1.728 5.124 1.00 0.00 N ATOM 685 CA LEU A 48 0.003 0.443 5.785 1.00 0.00 C ATOM 686 C LEU A 48 1.301 -0.046 6.420 1.00 0.00 C ATOM 687 O LEU A 48 2.264 -0.361 5.721 1.00 0.00 O ATOM 688 CB LEU A 48 -0.511 -0.595 4.786 1.00 0.00 C ATOM 689 CG LEU A 48 -1.408 -1.693 5.359 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.691 -1.097 5.917 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.720 -2.736 4.296 1.00 0.00 C ATOM 0 H LEU A 48 0.658 1.669 4.216 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.738 0.578 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.063 -0.074 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.348 -1.067 4.309 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.875 -2.183 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.317 -1.893 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.449 -0.389 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.228 -0.581 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.359 -3.509 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.233 -2.261 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.792 -3.186 3.944 1.00 0.00 H new ATOM 703 N GLU A 49 1.318 -0.107 7.748 1.00 0.00 N ATOM 704 CA GLU A 49 2.498 -0.559 8.475 1.00 0.00 C ATOM 705 C GLU A 49 2.475 -2.073 8.664 1.00 0.00 C ATOM 706 O GLU A 49 1.409 -2.678 8.791 1.00 0.00 O ATOM 707 CB GLU A 49 2.582 0.135 9.837 1.00 0.00 C ATOM 708 CG GLU A 49 3.131 1.550 9.766 1.00 0.00 C ATOM 709 CD GLU A 49 4.644 1.593 9.860 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.214 0.791 10.630 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.259 2.428 9.164 1.00 0.00 O ATOM 0 H GLU A 49 0.529 0.151 8.341 1.00 0.00 H new ATOM 0 HA GLU A 49 3.378 -0.298 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.588 0.162 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.213 -0.458 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.815 2.012 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.703 2.143 10.574 1.00 0.00 H new ATOM 718 N LEU A 50 3.656 -2.679 8.682 1.00 0.00 N ATOM 719 CA LEU A 50 3.773 -4.123 8.855 1.00 0.00 C ATOM 720 C LEU A 50 4.905 -4.467 9.818 1.00 0.00 C ATOM 721 O LEU A 50 6.053 -4.078 9.604 1.00 0.00 O ATOM 722 CB LEU A 50 4.013 -4.801 7.505 1.00 0.00 C ATOM 723 CG LEU A 50 2.827 -4.813 6.540 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.243 -5.375 5.190 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.674 -5.617 7.122 1.00 0.00 C ATOM 0 H LEU A 50 4.547 -2.193 8.579 1.00 0.00 H new ATOM 0 HA LEU A 50 2.838 -4.490 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.850 -4.303 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.318 -5.832 7.688 1.00 0.00 H new ATOM 0 HG LEU A 50 2.491 -3.786 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.386 -5.376 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.036 -4.758 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.606 -6.395 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.839 -5.615 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.998 -6.643 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.358 -5.170 8.065 1.00 0.00 H new ATOM 737 N GLN A 51 4.573 -5.200 10.876 1.00 0.00 N ATOM 738 CA GLN A 51 5.563 -5.597 11.870 1.00 0.00 C ATOM 739 C GLN A 51 5.896 -7.080 11.745 1.00 0.00 C ATOM 740 O GLN A 51 5.005 -7.928 11.759 1.00 0.00 O ATOM 741 CB GLN A 51 5.051 -5.294 13.280 1.00 0.00 C ATOM 742 CG GLN A 51 6.157 -4.981 14.275 1.00 0.00 C ATOM 743 CD GLN A 51 5.649 -4.250 15.501 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.699 -3.022 15.571 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.155 -5.003 16.477 1.00 0.00 N ATOM 0 H GLN A 51 3.627 -5.531 11.067 1.00 0.00 H new ATOM 0 HA GLN A 51 6.472 -5.023 11.690 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.365 -4.448 13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.480 -6.149 13.642 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.637 -5.910 14.583 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.920 -4.375 13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.133 -6.018 16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.798 -4.567 17.327 1.00 0.00 H new ATOM 959 N LYS A 65 8.758 -2.516 7.475 1.00 0.00 N ATOM 960 CA LYS A 65 8.288 -2.383 6.101 1.00 0.00 C ATOM 961 C LYS A 65 6.911 -1.727 6.059 1.00 0.00 C ATOM 962 O LYS A 65 5.954 -2.233 6.645 1.00 0.00 O ATOM 963 CB LYS A 65 8.233 -3.754 5.424 1.00 0.00 C ATOM 964 CG LYS A 65 8.018 -3.682 3.922 1.00 0.00 C ATOM 965 CD LYS A 65 8.105 -5.057 3.280 1.00 0.00 C ATOM 966 CE LYS A 65 7.404 -5.087 1.931 1.00 0.00 C ATOM 967 NZ LYS A 65 8.323 -4.717 0.820 1.00 0.00 N ATOM 0 HA LYS A 65 8.991 -1.747 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.163 -4.287 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.428 -4.338 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.042 -3.243 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.765 -3.024 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.151 -5.335 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.656 -5.798 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.002 -6.084 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.558 -4.400 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.807 -4.749 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.687 -3.755 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.118 -5.387 0.789 1.00 0.00 H new ATOM 981 N VAL A 66 6.819 -0.600 5.360 1.00 0.00 N ATOM 982 CA VAL A 66 5.558 0.123 5.239 1.00 0.00 C ATOM 983 C VAL A 66 5.207 0.374 3.777 1.00 0.00 C ATOM 984 O VAL A 66 6.016 0.908 3.017 1.00 0.00 O ATOM 985 CB VAL A 66 5.611 1.471 5.982 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.609 2.408 5.318 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.228 2.103 6.036 1.00 0.00 C ATOM 0 H VAL A 66 7.602 -0.168 4.869 1.00 0.00 H new ATOM 0 HA VAL A 66 4.789 -0.503 5.692 1.00 0.00 H new ATOM 0 HB VAL A 66 5.944 1.291 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.633 3.355 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.600 1.955 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.310 2.585 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.283 3.055 6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.865 2.271 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.543 1.436 6.560 1.00 0.00 H new ATOM 997 N ILE A 67 3.997 -0.014 3.390 1.00 0.00 N ATOM 998 CA ILE A 67 3.538 0.171 2.019 1.00 0.00 C ATOM 999 C ILE A 67 2.457 1.243 1.941 1.00 0.00 C ATOM 1000 O ILE A 67 1.278 0.968 2.164 1.00 0.00 O ATOM 1001 CB ILE A 67 2.988 -1.141 1.428 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.056 -2.236 1.478 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.515 -0.920 -0.001 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.484 -3.633 1.571 1.00 0.00 C ATOM 0 H ILE A 67 3.317 -0.458 4.006 1.00 0.00 H new ATOM 0 HA ILE A 67 4.403 0.488 1.437 1.00 0.00 H new ATOM 0 HB ILE A 67 2.136 -1.463 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.679 -2.166 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.706 -2.060 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.129 -1.856 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.726 -0.168 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.350 -0.578 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.297 -4.358 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.884 -3.721 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.857 -3.828 0.701 1.00 0.00 H new ATOM 1016 N ARG A 68 2.867 2.466 1.620 1.00 0.00 N ATOM 1017 CA ARG A 68 1.933 3.581 1.511 1.00 0.00 C ATOM 1018 C ARG A 68 0.827 3.267 0.508 1.00 0.00 C ATOM 1019 O ARG A 68 1.097 2.911 -0.640 1.00 0.00 O ATOM 1020 CB ARG A 68 2.671 4.853 1.091 1.00 0.00 C ATOM 1021 CG ARG A 68 3.491 4.691 -0.178 1.00 0.00 C ATOM 1022 CD ARG A 68 4.547 5.778 -0.302 1.00 0.00 C ATOM 1023 NE ARG A 68 5.574 5.435 -1.281 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.388 6.326 -1.836 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.295 7.607 -1.509 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.298 5.935 -2.720 1.00 0.00 N ATOM 0 H ARG A 68 3.839 2.710 1.431 1.00 0.00 H new ATOM 0 HA ARG A 68 1.479 3.739 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.945 5.653 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.330 5.165 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.972 3.713 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.831 4.723 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.070 6.715 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.013 5.943 0.669 1.00 0.00 H new ATOM 0 HE ARG A 68 5.672 4.457 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.597 7.911 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.921 8.289 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.372 4.950 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.923 6.620 -3.146 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.419 3.402 0.948 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.567 3.133 0.089 1.00 0.00 C ATOM 1042 C LEU A 69 -1.420 3.840 -1.254 1.00 0.00 C ATOM 1043 O LEU A 69 -1.843 3.324 -2.288 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.859 3.581 0.776 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.210 2.863 2.079 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.443 3.486 2.716 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.430 1.378 1.828 1.00 0.00 C ATOM 0 H LEU A 69 -0.660 3.696 1.894 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.612 2.059 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.786 4.649 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.684 3.446 0.077 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.374 2.974 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.678 2.962 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.249 4.537 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.286 3.406 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.679 0.883 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.248 1.246 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.521 0.940 1.417 1.00 0.00 H new ATOM 1059 N SER A 70 -0.816 5.024 -1.231 1.00 0.00 N ATOM 1060 CA SER A 70 -0.614 5.803 -2.447 1.00 0.00 C ATOM 1061 C SER A 70 0.117 4.980 -3.504 1.00 0.00 C ATOM 1062 O SER A 70 -0.174 5.083 -4.696 1.00 0.00 O ATOM 1063 CB SER A 70 0.179 7.075 -2.137 1.00 0.00 C ATOM 1064 OG SER A 70 0.567 7.736 -3.328 1.00 0.00 O ATOM 0 H SER A 70 -0.458 5.465 -0.384 1.00 0.00 H new ATOM 0 HA SER A 70 -1.593 6.079 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.426 7.745 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.064 6.823 -1.553 1.00 0.00 H new ATOM 0 HG SER A 70 1.071 8.546 -3.103 1.00 0.00 H new ATOM 1070 N ASP A 71 1.065 4.164 -3.058 1.00 0.00 N ATOM 1071 CA ASP A 71 1.837 3.322 -3.965 1.00 0.00 C ATOM 1072 C ASP A 71 0.953 2.252 -4.599 1.00 0.00 C ATOM 1073 O ASP A 71 1.186 1.832 -5.733 1.00 0.00 O ATOM 1074 CB ASP A 71 2.999 2.664 -3.219 1.00 0.00 C ATOM 1075 CG ASP A 71 4.239 3.536 -3.195 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.093 4.776 -3.209 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.357 2.979 -3.164 1.00 0.00 O ATOM 0 H ASP A 71 1.318 4.067 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 71 2.236 3.955 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.693 2.445 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.237 1.711 -3.692 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.060 1.816 -3.859 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.979 0.793 -4.348 1.00 0.00 C ATOM 1084 C CYS A 72 -1.601 1.212 -5.676 1.00 0.00 C ATOM 1085 O CYS A 72 -2.616 1.910 -5.705 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.077 0.529 -3.316 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.462 -0.032 -1.711 1.00 0.00 S ATOM 0 H CYS A 72 -0.266 2.154 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.412 -0.125 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.654 1.443 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.761 -0.221 -3.713 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.113 -1.096 -1.345 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.987 0.782 -6.773 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.480 1.113 -8.105 1.00 0.00 C ATOM 1095 C LEU A 73 -2.911 0.618 -8.295 1.00 0.00 C ATOM 1096 O LEU A 73 -3.794 1.379 -8.690 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.571 0.503 -9.173 1.00 0.00 C ATOM 1098 CG LEU A 73 0.899 0.918 -9.120 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.765 -0.086 -9.865 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.081 2.314 -9.697 1.00 0.00 C ATOM 0 H LEU A 73 -0.147 0.203 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.474 2.198 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.624 -0.583 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.967 0.768 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 73 1.214 0.934 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.808 0.226 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.659 -1.069 -9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.450 -0.136 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.134 2.592 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.748 2.325 -10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.492 3.026 -9.119 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.131 -0.661 -8.010 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.454 -1.258 -8.148 1.00 0.00 C ATOM 1114 C ARG A 74 -4.618 -2.444 -7.203 1.00 0.00 C ATOM 1115 O ARG A 74 -3.640 -3.091 -6.827 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.686 -1.707 -9.592 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.144 -1.656 -10.020 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.277 -1.523 -11.529 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.337 -2.824 -12.189 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.422 -3.590 -12.206 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.532 -3.188 -11.602 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -7.399 -4.762 -12.829 1.00 0.00 N ATOM 0 H ARG A 74 -2.410 -1.304 -7.682 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.194 -0.502 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.098 -1.076 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.317 -2.726 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.654 -2.560 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.638 -0.814 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.177 -0.955 -11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.431 -0.957 -11.919 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.500 -3.163 -12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.554 -2.288 -11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.363 -3.779 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.548 -5.075 -13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.233 -5.349 -12.841 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.860 -2.723 -6.821 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.152 -3.831 -5.919 1.00 0.00 C ATOM 1138 C VAL A 75 -7.352 -4.635 -6.408 1.00 0.00 C ATOM 1139 O VAL A 75 -8.266 -4.092 -7.026 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.431 -3.333 -4.489 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.268 -2.493 -3.980 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.730 -2.543 -4.444 1.00 0.00 C ATOM 0 H VAL A 75 -6.680 -2.197 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.269 -4.470 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.537 -4.199 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.483 -2.150 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.360 -3.095 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.128 -1.632 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.911 -2.199 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.656 -1.683 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.555 -3.180 -4.764 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.341 -5.934 -6.126 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.429 -6.814 -6.535 1.00 0.00 C ATOM 1154 C ALA A 76 -8.671 -7.905 -5.498 1.00 0.00 C ATOM 1155 O ALA A 76 -7.746 -8.616 -5.105 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.128 -7.430 -7.893 1.00 0.00 C ATOM 0 H ALA A 76 -6.591 -6.400 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.337 -6.216 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.949 -8.085 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.013 -6.639 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.206 -8.008 -7.834 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.919 -8.032 -5.059 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.281 -9.037 -4.066 1.00 0.00 C ATOM 1164 C GLU A 77 -9.928 -10.439 -4.557 1.00 0.00 C ATOM 1165 O GLU A 77 -9.942 -10.709 -5.758 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.776 -8.958 -3.748 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.117 -7.931 -2.681 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.090 -8.514 -1.282 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -11.013 -8.976 -0.852 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.146 -8.506 -0.616 1.00 0.00 O ATOM 0 H GLU A 77 -10.696 -7.452 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.713 -8.834 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.321 -8.716 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.122 -9.938 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.410 -7.103 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.107 -7.520 -2.880 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.613 -11.326 -3.620 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.258 -12.699 -3.956 1.00 0.00 C ATOM 1179 C ALA A 78 -9.782 -13.674 -2.907 1.00 0.00 C ATOM 1180 O ALA A 78 -10.450 -13.275 -1.954 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.749 -12.835 -4.097 1.00 0.00 C ATOM 0 H ALA A 78 -9.596 -11.118 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.725 -12.945 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.498 -13.866 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.396 -12.173 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.270 -12.564 -3.156 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.812 -20.626 5.318 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.570 -19.621 6.054 1.00 0.00 C ATOM 1288 C ASP A 87 -11.875 -18.265 5.995 1.00 0.00 C ATOM 1289 O ASP A 87 -11.949 -17.474 6.936 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.750 -20.052 7.511 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.949 -20.961 7.701 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.854 -22.151 7.336 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -14.981 -20.482 8.216 1.00 0.00 O ATOM 0 HA ASP A 87 -13.550 -19.528 5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.850 -20.566 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.865 -19.167 8.137 1.00 0.00 H new ATOM 1298 N THR A 88 -11.197 -18.001 4.881 1.00 0.00 N ATOM 1299 CA THR A 88 -10.486 -16.742 4.700 1.00 0.00 C ATOM 1300 C THR A 88 -10.679 -16.201 3.288 1.00 0.00 C ATOM 1301 O THR A 88 -11.357 -16.815 2.464 1.00 0.00 O ATOM 1302 CB THR A 88 -8.979 -16.903 4.974 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.496 -18.106 4.367 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.702 -16.937 6.470 1.00 0.00 C ATOM 0 H THR A 88 -11.126 -18.643 4.091 1.00 0.00 H new ATOM 0 HA THR A 88 -10.904 -16.036 5.418 1.00 0.00 H new ATOM 0 HB THR A 88 -8.460 -16.046 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.537 -18.200 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.631 -17.051 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.044 -16.007 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.232 -17.777 6.919 1.00 0.00 H new ATOM 1312 N SER A 89 -10.078 -15.047 3.014 1.00 0.00 N ATOM 1313 CA SER A 89 -10.186 -14.421 1.701 1.00 0.00 C ATOM 1314 C SER A 89 -9.003 -13.494 1.442 1.00 0.00 C ATOM 1315 O SER A 89 -8.910 -12.413 2.022 1.00 0.00 O ATOM 1316 CB SER A 89 -11.496 -13.638 1.593 1.00 0.00 C ATOM 1317 OG SER A 89 -12.615 -14.506 1.640 1.00 0.00 O ATOM 0 H SER A 89 -9.511 -14.527 3.684 1.00 0.00 H new ATOM 0 HA SER A 89 -10.179 -15.209 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.559 -12.915 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.509 -13.073 0.661 1.00 0.00 H new ATOM 0 HG SER A 89 -12.309 -15.426 1.783 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.101 -13.926 0.567 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.925 -13.135 0.228 1.00 0.00 C ATOM 1325 C ALA A 90 -7.267 -12.048 -0.785 1.00 0.00 C ATOM 1326 O ALA A 90 -8.242 -12.162 -1.527 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.822 -14.034 -0.310 1.00 0.00 C ATOM 0 H ALA A 90 -8.162 -14.820 0.080 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.571 -12.648 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.950 -13.430 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.550 -14.769 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.175 -14.548 -1.204 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.458 -10.994 -0.811 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.676 -9.885 -1.733 1.00 0.00 C ATOM 1335 C PHE A 91 -5.397 -9.552 -2.495 1.00 0.00 C ATOM 1336 O PHE A 91 -4.302 -9.947 -2.095 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.167 -8.651 -0.972 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.203 -8.169 0.074 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.167 -8.760 1.327 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.331 -7.127 -0.196 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.282 -8.318 2.291 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.443 -6.680 0.765 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.418 -7.278 2.009 1.00 0.00 C ATOM 0 H PHE A 91 -5.645 -10.884 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.438 -10.187 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.352 -7.846 -1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.120 -8.882 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.838 -9.575 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.345 -6.658 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.266 -8.785 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.770 -5.865 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.724 -6.933 2.761 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.545 -8.823 -3.596 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.403 -8.437 -4.417 1.00 0.00 C ATOM 1355 C PHE A 92 -3.890 -7.057 -4.020 1.00 0.00 C ATOM 1356 O PHE A 92 -4.631 -6.239 -3.472 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.787 -8.444 -5.898 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.695 -9.802 -6.535 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.473 -10.304 -6.951 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.830 -10.575 -6.716 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.385 -11.553 -7.538 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.749 -11.824 -7.302 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.524 -12.314 -7.712 1.00 0.00 C ATOM 0 H PHE A 92 -6.445 -8.488 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.607 -9.163 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.806 -8.071 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.138 -7.754 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.579 -9.713 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.790 -10.197 -6.395 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.427 -11.933 -7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.642 -12.416 -7.439 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.457 -13.291 -8.168 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.616 -6.803 -4.298 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.001 -5.522 -3.969 1.00 0.00 C ATOM 1375 C LEU A 93 -0.826 -5.228 -4.897 1.00 0.00 C ATOM 1376 O LEU A 93 0.237 -5.836 -4.778 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.530 -5.518 -2.514 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.487 -4.153 -1.826 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.791 -4.256 -0.478 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.790 -3.131 -2.712 1.00 0.00 C ATOM 0 H LEU A 93 -1.989 -7.468 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.751 -4.742 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.186 -6.172 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.532 -5.954 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.511 -3.820 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.770 -3.275 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.333 -4.956 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.229 -4.611 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.769 -2.166 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.230 -3.459 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.332 -3.036 -3.653 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.026 -4.291 -5.818 1.00 0.00 N ATOM 1393 CA GLU A 94 0.018 -3.916 -6.765 1.00 0.00 C ATOM 1394 C GLU A 94 0.575 -2.532 -6.441 1.00 0.00 C ATOM 1395 O GLU A 94 -0.178 -1.579 -6.238 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.527 -3.936 -8.194 1.00 0.00 C ATOM 1397 CG GLU A 94 0.556 -3.998 -9.258 1.00 0.00 C ATOM 1398 CD GLU A 94 0.063 -3.546 -10.619 1.00 0.00 C ATOM 1399 OE1 GLU A 94 0.083 -2.325 -10.882 1.00 0.00 O ATOM 1400 OE2 GLU A 94 -0.343 -4.413 -11.421 1.00 0.00 O ATOM 0 H GLU A 94 -1.901 -3.778 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 94 0.826 -4.643 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.188 -4.795 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.132 -3.044 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.395 -3.373 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.930 -5.019 -9.332 1.00 0.00 H new ATOM 1407 N THR A 95 1.899 -2.430 -6.393 1.00 0.00 N ATOM 1408 CA THR A 95 2.558 -1.166 -6.092 1.00 0.00 C ATOM 1409 C THR A 95 3.704 -0.898 -7.061 1.00 0.00 C ATOM 1410 O THR A 95 4.279 -1.826 -7.630 1.00 0.00 O ATOM 1411 CB THR A 95 3.104 -1.145 -4.652 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.219 -2.036 -4.538 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.024 -1.546 -3.658 1.00 0.00 C ATOM 0 H THR A 95 2.537 -3.209 -6.559 1.00 0.00 H new ATOM 0 HA THR A 95 1.805 -0.385 -6.199 1.00 0.00 H new ATOM 0 HB THR A 95 3.427 -0.129 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.049 -2.842 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.433 -1.524 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.189 -0.849 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.675 -2.553 -3.886 1.00 0.00 H new ATOM 1421 N LYS A 96 4.032 0.376 -7.245 1.00 0.00 N ATOM 1422 CA LYS A 96 5.111 0.767 -8.144 1.00 0.00 C ATOM 1423 C LYS A 96 6.290 -0.195 -8.031 1.00 0.00 C ATOM 1424 O LYS A 96 6.868 -0.604 -9.037 1.00 0.00 O ATOM 1425 CB LYS A 96 5.572 2.193 -7.833 1.00 0.00 C ATOM 1426 CG LYS A 96 4.478 3.234 -7.995 1.00 0.00 C ATOM 1427 CD LYS A 96 5.044 4.644 -7.981 1.00 0.00 C ATOM 1428 CE LYS A 96 5.464 5.090 -9.373 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.335 5.706 -10.123 1.00 0.00 N ATOM 0 H LYS A 96 3.565 1.156 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 96 4.730 0.729 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.948 2.230 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.405 2.448 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.948 3.063 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.749 3.125 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.297 5.333 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.902 4.686 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.281 5.807 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.845 4.233 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.662 5.996 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.565 5.014 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.988 6.539 -9.606 1.00 0.00 H new ATOM 1443 N GLU A 97 6.638 -0.554 -6.799 1.00 0.00 N ATOM 1444 CA GLU A 97 7.748 -1.469 -6.555 1.00 0.00 C ATOM 1445 C GLU A 97 7.497 -2.818 -7.223 1.00 0.00 C ATOM 1446 O GLU A 97 8.168 -3.178 -8.190 1.00 0.00 O ATOM 1447 CB GLU A 97 7.957 -1.663 -5.052 1.00 0.00 C ATOM 1448 CG GLU A 97 8.682 -0.506 -4.385 1.00 0.00 C ATOM 1449 CD GLU A 97 9.376 -0.915 -3.100 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.697 -1.466 -2.208 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.598 -0.685 -2.987 1.00 0.00 O ATOM 0 H GLU A 97 6.168 -0.226 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 97 8.648 -1.031 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.987 -1.798 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.524 -2.579 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.418 -0.096 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.969 0.290 -4.171 1.00 0.00 H new ATOM 1458 N ARG A 98 6.525 -3.559 -6.700 1.00 0.00 N ATOM 1459 CA ARG A 98 6.186 -4.868 -7.243 1.00 0.00 C ATOM 1460 C ARG A 98 4.819 -5.326 -6.745 1.00 0.00 C ATOM 1461 O ARG A 98 4.153 -4.619 -5.987 1.00 0.00 O ATOM 1462 CB ARG A 98 7.252 -5.896 -6.857 1.00 0.00 C ATOM 1463 CG ARG A 98 7.387 -6.098 -5.357 1.00 0.00 C ATOM 1464 CD ARG A 98 8.372 -7.210 -5.032 1.00 0.00 C ATOM 1465 NE ARG A 98 9.751 -6.730 -5.007 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.305 -6.139 -3.953 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.601 -5.958 -2.845 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.566 -5.729 -4.008 1.00 0.00 N ATOM 0 H ARG A 98 5.959 -3.274 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 98 6.148 -4.784 -8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.010 -6.851 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.214 -5.579 -7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.718 -5.169 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.412 -6.338 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.122 -7.644 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.278 -8.005 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 98 10.320 -6.855 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.632 -6.272 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.028 -5.504 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.111 -5.867 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.991 -5.276 -3.199 1.00 0.00 H new ATOM 1482 N LEU A 99 4.405 -6.513 -7.176 1.00 0.00 N ATOM 1483 CA LEU A 99 3.116 -7.066 -6.774 1.00 0.00 C ATOM 1484 C LEU A 99 3.245 -7.862 -5.479 1.00 0.00 C ATOM 1485 O LEU A 99 4.204 -8.611 -5.291 1.00 0.00 O ATOM 1486 CB LEU A 99 2.555 -7.960 -7.881 1.00 0.00 C ATOM 1487 CG LEU A 99 1.172 -8.559 -7.623 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.098 -7.487 -7.724 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.891 -9.692 -8.600 1.00 0.00 C ATOM 0 H LEU A 99 4.943 -7.111 -7.804 1.00 0.00 H new ATOM 0 HA LEU A 99 2.430 -6.236 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.511 -7.379 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.257 -8.777 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 99 1.156 -8.965 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.879 -7.932 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.290 -6.709 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.113 -7.050 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.097 -10.107 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.926 -9.310 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.643 -10.472 -8.479 1.00 0.00 H new ATOM 1501 N TYR A 100 2.273 -7.695 -4.589 1.00 0.00 N ATOM 1502 CA TYR A 100 2.277 -8.398 -3.312 1.00 0.00 C ATOM 1503 C TYR A 100 0.963 -9.141 -3.094 1.00 0.00 C ATOM 1504 O TYR A 100 -0.119 -8.582 -3.278 1.00 0.00 O ATOM 1505 CB TYR A 100 2.515 -7.413 -2.165 1.00 0.00 C ATOM 1506 CG TYR A 100 3.823 -6.663 -2.273 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.029 -7.280 -1.966 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.853 -5.336 -2.685 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.226 -6.598 -2.062 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.045 -4.646 -2.785 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.229 -5.281 -2.473 1.00 0.00 C ATOM 1512 OH TYR A 100 7.420 -4.598 -2.572 1.00 0.00 O ATOM 0 H TYR A 100 1.472 -7.079 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 100 3.087 -9.128 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.695 -6.695 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.494 -7.956 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.031 -8.312 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.928 -4.836 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.154 -7.093 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.050 -3.615 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 100 7.248 -3.682 -2.876 1.00 0.00 H new ATOM 1522 N LEU A 101 1.064 -10.406 -2.700 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.116 -11.228 -2.456 1.00 0.00 C ATOM 1524 C LEU A 101 -0.268 -11.534 -0.969 1.00 0.00 C ATOM 1525 O LEU A 101 0.383 -12.436 -0.441 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.026 -12.532 -3.250 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.262 -13.432 -3.206 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.482 -12.687 -3.725 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.027 -14.701 -4.011 1.00 0.00 C ATOM 0 H LEU A 101 1.951 -10.885 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.992 -10.669 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.183 -12.286 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.827 -13.101 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.447 -13.713 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.352 -13.342 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.662 -11.808 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.307 -12.376 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.917 -15.329 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.816 -14.440 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.179 -15.244 -3.594 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.132 -10.780 -0.301 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.372 -10.971 1.125 1.00 0.00 C ATOM 1543 C LEU A 102 -2.721 -11.642 1.365 1.00 0.00 C ATOM 1544 O LEU A 102 -3.590 -11.642 0.493 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.321 -9.629 1.856 1.00 0.00 C ATOM 1546 CG LEU A 102 0.064 -8.997 2.002 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.376 -8.112 0.805 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.153 -8.199 3.295 1.00 0.00 C ATOM 0 H LEU A 102 -1.679 -10.030 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.589 -11.620 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.966 -8.926 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.744 -9.764 2.852 1.00 0.00 H new ATOM 0 HG LEU A 102 0.804 -9.796 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.365 -7.671 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.355 -8.711 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.369 -7.319 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.145 -7.757 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.597 -7.408 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.025 -8.860 4.143 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.890 -12.212 2.554 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.134 -12.883 2.910 1.00 0.00 C ATOM 1562 C ALA A 103 -4.846 -12.153 4.043 1.00 0.00 C ATOM 1563 O ALA A 103 -4.206 -11.575 4.921 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.862 -14.328 3.300 1.00 0.00 C ATOM 0 H ALA A 103 -2.181 -12.222 3.287 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.787 -12.871 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.800 -14.817 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.403 -14.851 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.187 -14.353 4.156 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.175 -12.182 4.017 1.00 0.00 N ATOM 1571 CA ALA A 104 -6.973 -11.524 5.044 1.00 0.00 C ATOM 1572 C ALA A 104 -8.243 -12.314 5.342 1.00 0.00 C ATOM 1573 O ALA A 104 -8.786 -13.010 4.484 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.321 -10.106 4.614 1.00 0.00 C ATOM 0 H ALA A 104 -6.721 -12.654 3.296 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.380 -11.480 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.917 -9.626 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.404 -9.538 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.891 -10.137 3.686 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.728 -12.207 6.588 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.940 -12.905 7.028 1.00 0.00 C ATOM 1582 C PRO A 105 -11.201 -12.341 6.383 1.00 0.00 C ATOM 1583 O PRO A 105 -11.527 -11.167 6.557 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.959 -12.664 8.540 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.190 -11.402 8.732 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.132 -11.395 7.662 1.00 0.00 C ATOM 0 HA PRO A 105 -9.926 -13.959 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.979 -12.567 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.500 -13.493 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.840 -10.532 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.741 -11.365 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.909 -10.383 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.196 -11.825 8.019 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.907 -13.185 5.638 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.134 -12.771 4.969 1.00 0.00 C ATOM 1596 C ALA A 106 -13.950 -11.831 5.850 1.00 0.00 C ATOM 1597 O ALA A 106 -14.726 -11.016 5.353 1.00 0.00 O ATOM 1598 CB ALA A 106 -13.962 -13.988 4.584 1.00 0.00 C ATOM 0 H ALA A 106 -11.650 -14.160 5.483 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.859 -12.231 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.875 -13.664 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.386 -14.622 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.219 -14.552 5.481 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.769 -11.951 7.162 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.487 -11.112 8.112 1.00 0.00 C ATOM 1606 C ALA A 107 -14.073 -9.650 7.976 1.00 0.00 C ATOM 1607 O ALA A 107 -14.919 -8.760 7.913 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.248 -11.600 9.533 1.00 0.00 C ATOM 0 H ALA A 107 -13.131 -12.622 7.590 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.552 -11.183 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.791 -10.964 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.600 -12.627 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.182 -11.559 9.757 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.765 -9.412 7.932 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.240 -8.058 7.805 1.00 0.00 C ATOM 1616 C GLU A 108 -12.132 -7.652 6.338 1.00 0.00 C ATOM 1617 O GLU A 108 -12.334 -6.489 5.988 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.869 -7.954 8.477 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.870 -8.391 9.932 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.561 -8.087 10.633 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.281 -6.895 10.878 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -8.815 -9.042 10.937 1.00 0.00 O ATOM 0 H GLU A 108 -12.051 -10.139 7.982 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.933 -7.379 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.155 -8.564 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.521 -6.923 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.684 -7.891 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.067 -9.462 9.986 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.811 -8.619 5.484 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.673 -8.362 4.056 1.00 0.00 C ATOM 1631 C ARG A 109 -12.675 -7.308 3.594 1.00 0.00 C ATOM 1632 O ARG A 109 -12.292 -6.243 3.112 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.875 -9.655 3.262 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.797 -9.463 1.756 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.664 -10.473 1.021 1.00 0.00 C ATOM 1636 NE ARG A 109 -14.076 -10.098 1.040 1.00 0.00 N ATOM 1637 CZ ARG A 109 -15.048 -10.873 0.573 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.764 -12.058 0.053 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -16.309 -10.462 0.626 1.00 0.00 N ATOM 0 H ARG A 109 -11.642 -9.587 5.757 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.666 -7.986 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.121 -10.380 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.846 -10.079 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.116 -8.453 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.762 -9.563 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.325 -10.558 -0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.543 -11.455 1.478 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.329 -9.192 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.796 -12.378 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.513 -12.651 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.532 -9.550 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.055 -11.058 0.267 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.960 -7.614 3.744 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.997 -6.683 3.337 1.00 0.00 C ATOM 1655 C GLY A 110 -14.619 -5.240 3.607 1.00 0.00 C ATOM 1656 O GLY A 110 -14.802 -4.373 2.753 1.00 0.00 O ATOM 0 H GLY A 110 -14.302 -8.490 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.198 -6.810 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.920 -6.919 3.866 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.091 -4.981 4.799 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.686 -3.633 5.179 1.00 0.00 C ATOM 1662 C ASP A 111 -12.301 -3.306 4.631 1.00 0.00 C ATOM 1663 O ASP A 111 -12.118 -2.307 3.936 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.694 -3.486 6.702 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.060 -3.109 7.240 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -15.417 -1.915 7.167 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.771 -4.009 7.736 1.00 0.00 O ATOM 0 H ASP A 111 -13.934 -5.687 5.518 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.401 -2.931 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.374 -4.424 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.969 -2.726 6.995 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.329 -4.153 4.950 1.00 0.00 N ATOM 1673 CA TRP A 112 -9.960 -3.953 4.490 1.00 0.00 C ATOM 1674 C TRP A 112 -9.938 -3.362 3.085 1.00 0.00 C ATOM 1675 O TRP A 112 -9.636 -2.182 2.902 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.195 -5.278 4.511 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.528 -5.558 5.823 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.688 -6.667 6.604 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.598 -4.714 6.510 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.913 -6.564 7.734 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.234 -5.375 7.699 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.034 -3.465 6.234 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.335 -4.827 8.610 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.142 -2.922 7.140 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.799 -3.603 8.315 1.00 0.00 C ATOM 0 H TRP A 112 -11.464 -4.985 5.525 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.475 -3.250 5.167 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.884 -6.091 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.441 -5.267 3.724 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.330 -7.503 6.368 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.853 -7.260 8.478 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.290 -2.934 5.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.070 -5.349 9.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.702 -1.956 6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.097 -3.153 9.002 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.261 -4.187 2.094 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.280 -3.744 0.706 1.00 0.00 C ATOM 1698 C VAL A 113 -11.047 -2.436 0.556 1.00 0.00 C ATOM 1699 O VAL A 113 -10.616 -1.531 -0.158 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.914 -4.806 -0.213 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -10.915 -4.329 -1.658 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.180 -6.131 -0.081 1.00 0.00 C ATOM 0 H VAL A 113 -10.513 -5.166 2.227 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.243 -3.589 0.410 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.948 -4.958 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.366 -5.092 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.489 -3.406 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.890 -4.147 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.641 -6.869 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.135 -5.998 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.237 -6.477 0.951 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.186 -2.342 1.236 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.013 -1.143 1.179 1.00 0.00 C ATOM 1714 C GLN A 114 -12.209 0.092 1.570 1.00 0.00 C ATOM 1715 O GLN A 114 -11.948 0.963 0.741 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.226 -1.290 2.099 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.265 -0.196 1.916 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.257 -0.513 0.814 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.322 -1.077 1.064 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -15.912 -0.150 -0.416 1.00 0.00 N ATOM 0 H GLN A 114 -12.556 -3.082 1.832 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.358 -1.019 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.694 -2.258 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -13.888 -1.289 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.803 -0.050 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.762 0.744 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.019 0.316 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.540 -0.337 -1.198 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.821 0.162 2.839 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.045 1.290 3.340 1.00 0.00 C ATOM 1731 C ALA A 115 -9.856 1.585 2.432 1.00 0.00 C ATOM 1732 O ALA A 115 -9.711 2.698 1.927 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.573 1.016 4.760 1.00 0.00 C ATOM 0 H ALA A 115 -12.031 -0.549 3.539 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.690 2.169 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.995 1.866 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.437 0.863 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.949 0.122 4.770 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.009 0.581 2.229 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.833 0.734 1.382 1.00 0.00 C ATOM 1741 C ILE A 116 -8.214 1.267 0.005 1.00 0.00 C ATOM 1742 O ILE A 116 -7.517 2.112 -0.559 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.083 -0.600 1.214 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.665 -1.151 2.579 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.868 -0.415 0.317 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.279 -2.613 2.548 1.00 0.00 C ATOM 0 H ILE A 116 -9.116 -0.347 2.640 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.177 1.450 1.878 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.753 -1.319 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.823 -0.569 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.486 -1.015 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.348 -1.367 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.190 -0.063 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.195 0.317 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.994 -2.935 3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.126 -3.206 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.438 -2.753 1.869 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.324 0.770 -0.530 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.798 1.197 -1.841 1.00 0.00 C ATOM 1760 C CYS A 117 -10.173 2.676 -1.829 1.00 0.00 C ATOM 1761 O CYS A 117 -9.976 3.385 -2.817 1.00 0.00 O ATOM 1762 CB CYS A 117 -11.003 0.357 -2.269 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.663 0.789 -3.896 1.00 0.00 S ATOM 0 H CYS A 117 -9.912 0.071 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.989 1.052 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.716 -0.695 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.793 0.470 -1.527 1.00 0.00 H new ATOM 0 HG CYS A 117 -11.337 2.014 -4.185 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.714 3.134 -0.706 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.118 4.529 -0.565 1.00 0.00 C ATOM 1771 C LEU A 118 -9.902 5.433 -0.386 1.00 0.00 C ATOM 1772 O LEU A 118 -9.802 6.489 -1.012 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.065 4.688 0.625 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.556 4.530 0.322 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.921 3.060 0.193 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.394 5.197 1.403 1.00 0.00 C ATOM 0 H LEU A 118 -10.883 2.560 0.120 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.637 4.825 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.789 3.956 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.906 5.674 1.061 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.768 5.021 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.985 2.967 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.346 2.612 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.694 2.545 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.452 5.074 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.178 4.736 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.153 6.259 1.447 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.979 5.010 0.470 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.767 5.780 0.731 1.00 0.00 C ATOM 1790 C LEU A 119 -6.783 5.654 -0.428 1.00 0.00 C ATOM 1791 O LEU A 119 -6.447 6.642 -1.080 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.108 5.308 2.028 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.608 5.969 3.313 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.148 5.183 4.531 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.127 7.411 3.394 1.00 0.00 C ATOM 0 H LEU A 119 -9.046 4.138 0.995 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.047 6.828 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.255 4.231 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.034 5.478 1.949 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.698 5.971 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.513 5.668 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.542 4.168 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.059 5.149 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.492 7.865 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.037 7.432 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.506 7.970 2.538 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.325 4.432 -0.679 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.383 4.176 -1.761 1.00 0.00 C ATOM 1809 C ALA A 120 -5.816 4.879 -3.043 1.00 0.00 C ATOM 1810 O ALA A 120 -4.982 5.350 -3.817 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.244 2.680 -1.998 1.00 0.00 C ATOM 0 H ALA A 120 -6.591 3.603 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.413 4.577 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.537 2.504 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.881 2.200 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.215 2.262 -2.266 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.125 4.945 -3.263 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.668 5.589 -4.453 1.00 0.00 C ATOM 1819 C PHE A 121 -8.631 6.710 -4.073 1.00 0.00 C ATOM 1820 O PHE A 121 -9.739 6.797 -4.601 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.386 4.562 -5.332 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.623 3.279 -5.499 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.506 2.385 -4.447 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.022 2.968 -6.708 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.805 1.203 -4.598 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.320 1.787 -6.865 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.210 0.905 -5.808 1.00 0.00 C ATOM 0 H PHE A 121 -7.829 4.560 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.838 6.020 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.361 4.342 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.566 4.999 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.968 2.614 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.103 3.656 -7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.723 0.514 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.858 1.555 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.659 -0.016 -5.928 1.00 0.00 H new