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 36 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= -0.0492 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00353) USER MOD Single : A 15 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.55 K(o=1.5,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 6:sc= 0.25 USER MOD Single : A 95 THR OG1 : rot -39:sc= 0.699 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 114 GLN : amide:sc= -0.574 K(o=-0.57,f=-3!) USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.462 4.062 11.840 1.00 0.00 N ATOM 120 CA VAL A 13 -8.862 3.942 11.449 1.00 0.00 C ATOM 121 C VAL A 13 -9.366 2.516 11.644 1.00 0.00 C ATOM 122 O VAL A 13 -10.388 2.290 12.292 1.00 0.00 O ATOM 123 CB VAL A 13 -9.071 4.352 9.979 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.523 4.155 9.570 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.639 5.795 9.762 1.00 0.00 C ATOM 0 HA VAL A 13 -9.429 4.616 12.091 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.452 3.712 9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.651 4.450 8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.794 3.106 9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.165 4.768 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.793 6.068 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.230 6.452 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.583 5.900 10.012 1.00 0.00 H new ATOM 135 N LYS A 14 -8.642 1.556 11.078 1.00 0.00 N ATOM 136 CA LYS A 14 -9.014 0.151 11.190 1.00 0.00 C ATOM 137 C LYS A 14 -7.808 -0.702 11.569 1.00 0.00 C ATOM 138 O LYS A 14 -6.753 -0.614 10.941 1.00 0.00 O ATOM 139 CB LYS A 14 -9.610 -0.347 9.871 1.00 0.00 C ATOM 140 CG LYS A 14 -9.960 -1.825 9.881 1.00 0.00 C ATOM 141 CD LYS A 14 -10.406 -2.302 8.509 1.00 0.00 C ATOM 142 CE LYS A 14 -10.427 -3.821 8.427 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.399 -4.415 9.385 1.00 0.00 N ATOM 0 H LYS A 14 -7.794 1.726 10.537 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.763 0.061 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.508 0.229 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.900 -0.156 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.094 -2.403 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.753 -2.007 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.400 -1.911 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.734 -1.905 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.684 -4.126 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.430 -4.210 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.408 -5.449 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.120 -4.173 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.349 -4.038 9.194 1.00 0.00 H new ATOM 157 N GLN A 15 -7.972 -1.528 12.597 1.00 0.00 N ATOM 158 CA GLN A 15 -6.896 -2.397 13.058 1.00 0.00 C ATOM 159 C GLN A 15 -7.196 -3.856 12.730 1.00 0.00 C ATOM 160 O GLN A 15 -8.326 -4.318 12.887 1.00 0.00 O ATOM 161 CB GLN A 15 -6.689 -2.233 14.565 1.00 0.00 C ATOM 162 CG GLN A 15 -5.973 -0.947 14.944 1.00 0.00 C ATOM 163 CD GLN A 15 -6.247 -0.526 16.374 1.00 0.00 C ATOM 164 OE1 GLN A 15 -7.298 -0.840 16.935 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.302 0.189 16.973 1.00 0.00 N ATOM 0 H GLN A 15 -8.840 -1.614 13.126 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.982 -2.107 12.539 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.659 -2.259 15.062 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.117 -3.082 14.939 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.900 -1.080 14.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.284 -0.150 14.269 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.447 0.427 16.471 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.431 0.501 17.936 1.00 0.00 H new ATOM 174 N GLY A 16 -6.177 -4.577 12.273 1.00 0.00 N ATOM 175 CA GLY A 16 -6.352 -5.976 11.930 1.00 0.00 C ATOM 176 C GLY A 16 -5.033 -6.704 11.767 1.00 0.00 C ATOM 177 O GLY A 16 -4.009 -6.275 12.301 1.00 0.00 O ATOM 0 H GLY A 16 -5.233 -4.217 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.940 -6.466 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.921 -6.051 11.004 1.00 0.00 H new ATOM 181 N PHE A 17 -5.055 -7.809 11.030 1.00 0.00 N ATOM 182 CA PHE A 17 -3.851 -8.599 10.800 1.00 0.00 C ATOM 183 C PHE A 17 -3.802 -9.111 9.364 1.00 0.00 C ATOM 184 O PHE A 17 -4.729 -9.775 8.897 1.00 0.00 O ATOM 185 CB PHE A 17 -3.795 -9.777 11.776 1.00 0.00 C ATOM 186 CG PHE A 17 -3.878 -9.365 13.218 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.820 -8.711 13.828 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.015 -9.633 13.964 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.893 -8.331 15.155 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.094 -9.254 15.291 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.032 -8.604 15.887 1.00 0.00 C ATOM 0 H PHE A 17 -5.893 -8.178 10.582 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.987 -7.956 10.967 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.614 -10.461 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.868 -10.327 11.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.927 -8.495 13.260 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.848 -10.143 13.504 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.061 -7.822 15.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.986 -9.466 15.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.092 -8.309 16.924 1.00 0.00 H new ATOM 201 N LEU A 18 -2.715 -8.798 8.667 1.00 0.00 N ATOM 202 CA LEU A 18 -2.544 -9.225 7.283 1.00 0.00 C ATOM 203 C LEU A 18 -1.372 -10.193 7.153 1.00 0.00 C ATOM 204 O LEU A 18 -0.308 -9.977 7.733 1.00 0.00 O ATOM 205 CB LEU A 18 -2.322 -8.012 6.378 1.00 0.00 C ATOM 206 CG LEU A 18 -3.475 -7.011 6.302 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.036 -5.745 5.583 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.676 -7.633 5.605 1.00 0.00 C ATOM 0 H LEU A 18 -1.939 -8.250 9.038 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.453 -9.740 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.432 -7.485 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.111 -8.370 5.370 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.767 -6.745 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.870 -5.044 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.207 -5.289 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.716 -5.994 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.487 -6.906 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.397 -7.929 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.005 -8.510 6.161 1.00 0.00 H new ATOM 220 N TYR A 19 -1.574 -11.258 6.386 1.00 0.00 N ATOM 221 CA TYR A 19 -0.535 -12.260 6.179 1.00 0.00 C ATOM 222 C TYR A 19 0.139 -12.073 4.823 1.00 0.00 C ATOM 223 O TYR A 19 -0.516 -11.757 3.829 1.00 0.00 O ATOM 224 CB TYR A 19 -1.126 -13.667 6.278 1.00 0.00 C ATOM 225 CG TYR A 19 -2.149 -13.818 7.381 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.766 -13.811 8.717 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.499 -13.967 7.088 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.697 -13.949 9.728 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.437 -14.104 8.093 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.031 -14.095 9.411 1.00 0.00 C ATOM 231 OH TYR A 19 -4.962 -14.232 10.415 1.00 0.00 O ATOM 0 H TYR A 19 -2.448 -11.450 5.897 1.00 0.00 H new ATOM 0 HA TYR A 19 0.216 -12.134 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.590 -13.925 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.319 -14.380 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.722 -13.696 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.821 -13.976 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.382 -13.943 10.761 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.483 -14.218 7.848 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.855 -14.323 10.023 1.00 0.00 H new ATOM 241 N LEU A 20 1.452 -12.272 4.791 1.00 0.00 N ATOM 242 CA LEU A 20 2.218 -12.127 3.557 1.00 0.00 C ATOM 243 C LEU A 20 2.960 -13.416 3.222 1.00 0.00 C ATOM 244 O LEU A 20 3.508 -14.075 4.105 1.00 0.00 O ATOM 245 CB LEU A 20 3.212 -10.971 3.684 1.00 0.00 C ATOM 246 CG LEU A 20 4.267 -10.870 2.582 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.606 -10.694 1.224 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.225 -9.721 2.864 1.00 0.00 C ATOM 0 H LEU A 20 2.009 -12.534 5.605 1.00 0.00 H new ATOM 0 HA LEU A 20 1.520 -11.911 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.651 -10.037 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.724 -11.062 4.642 1.00 0.00 H new ATOM 0 HG LEU A 20 4.839 -11.798 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.373 -10.624 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.962 -11.549 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.009 -9.782 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.969 -9.664 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.668 -8.785 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.725 -9.890 3.818 1.00 0.00 H new ATOM 260 N GLN A 21 2.974 -13.769 1.941 1.00 0.00 N ATOM 261 CA GLN A 21 3.650 -14.979 1.489 1.00 0.00 C ATOM 262 C GLN A 21 5.043 -14.658 0.957 1.00 0.00 C ATOM 263 O GLN A 21 5.195 -13.853 0.039 1.00 0.00 O ATOM 264 CB GLN A 21 2.825 -15.676 0.406 1.00 0.00 C ATOM 265 CG GLN A 21 3.124 -17.161 0.274 1.00 0.00 C ATOM 266 CD GLN A 21 2.470 -17.782 -0.944 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.138 -18.096 -1.930 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.156 -17.964 -0.883 1.00 0.00 N ATOM 0 H GLN A 21 2.525 -13.234 1.198 1.00 0.00 H new ATOM 0 HA GLN A 21 3.753 -15.648 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.766 -15.546 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.013 -15.190 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.203 -17.307 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.780 -17.678 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.641 -17.689 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.661 -18.379 -1.673 1.00 0.00 H new ATOM 413 N TRP A 30 3.498 -19.065 4.722 1.00 0.00 N ATOM 414 CA TRP A 30 2.819 -17.820 5.064 1.00 0.00 C ATOM 415 C TRP A 30 3.360 -17.246 6.369 1.00 0.00 C ATOM 416 O TRP A 30 3.828 -17.984 7.236 1.00 0.00 O ATOM 417 CB TRP A 30 1.312 -18.051 5.180 1.00 0.00 C ATOM 418 CG TRP A 30 0.603 -18.019 3.860 1.00 0.00 C ATOM 419 CD1 TRP A 30 0.152 -19.091 3.144 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.265 -16.855 3.097 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.445 -18.664 1.983 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.390 -17.296 1.931 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.449 -15.483 3.287 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.858 -16.414 0.961 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.015 -14.608 2.324 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.664 -15.076 1.173 1.00 0.00 C ATOM 0 HA TRP A 30 3.008 -17.102 4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.135 -19.015 5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.884 -17.290 5.833 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.250 -20.123 3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.862 -19.268 1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.946 -15.113 4.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.356 -16.773 0.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.125 -13.546 2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.018 -14.367 0.439 1.00 0.00 H new ATOM 437 N ARG A 31 3.292 -15.925 6.502 1.00 0.00 N ATOM 438 CA ARG A 31 3.776 -15.253 7.702 1.00 0.00 C ATOM 439 C ARG A 31 2.720 -14.300 8.255 1.00 0.00 C ATOM 440 O ARG A 31 1.755 -13.962 7.569 1.00 0.00 O ATOM 441 CB ARG A 31 5.063 -14.484 7.398 1.00 0.00 C ATOM 442 CG ARG A 31 5.898 -14.180 8.631 1.00 0.00 C ATOM 443 CD ARG A 31 7.380 -14.117 8.299 1.00 0.00 C ATOM 444 NE ARG A 31 8.200 -13.922 9.492 1.00 0.00 N ATOM 445 CZ ARG A 31 9.515 -14.110 9.518 1.00 0.00 C ATOM 446 NH1 ARG A 31 10.155 -14.496 8.423 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.192 -13.911 10.642 1.00 0.00 N ATOM 0 H ARG A 31 2.907 -15.300 5.794 1.00 0.00 H new ATOM 0 HA ARG A 31 3.984 -16.013 8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.664 -15.062 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.808 -13.547 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.580 -13.231 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.726 -14.947 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.679 -15.039 7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.560 -13.302 7.598 1.00 0.00 H new ATOM 0 HE ARG A 31 7.738 -13.625 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.638 -14.649 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.165 -14.639 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.703 -13.614 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.202 -14.055 10.662 1.00 0.00 H new ATOM 461 N ARG A 32 2.910 -13.872 9.498 1.00 0.00 N ATOM 462 CA ARG A 32 1.973 -12.960 10.143 1.00 0.00 C ATOM 463 C ARG A 32 2.642 -11.624 10.455 1.00 0.00 C ATOM 464 O ARG A 32 3.751 -11.583 10.989 1.00 0.00 O ATOM 465 CB ARG A 32 1.427 -13.581 11.430 1.00 0.00 C ATOM 466 CG ARG A 32 0.015 -13.135 11.771 1.00 0.00 C ATOM 467 CD ARG A 32 0.006 -11.753 12.406 1.00 0.00 C ATOM 468 NE ARG A 32 -1.113 -11.583 13.330 1.00 0.00 N ATOM 469 CZ ARG A 32 -1.224 -12.243 14.478 1.00 0.00 C ATOM 470 NH1 ARG A 32 -0.290 -13.111 14.841 1.00 0.00 N ATOM 471 NH2 ARG A 32 -2.272 -12.033 15.265 1.00 0.00 N ATOM 0 H ARG A 32 3.704 -14.142 10.079 1.00 0.00 H new ATOM 0 HA ARG A 32 1.147 -12.782 9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.443 -14.667 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.089 -13.324 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.593 -13.125 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.440 -13.853 12.453 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.943 -11.592 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.051 -10.995 11.625 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.849 -10.922 13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.517 -13.274 14.238 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.378 -13.616 15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.992 -11.365 14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.358 -12.539 16.146 1.00 0.00 H new ATOM 485 N PHE A 33 1.961 -10.534 10.118 1.00 0.00 N ATOM 486 CA PHE A 33 2.490 -9.197 10.361 1.00 0.00 C ATOM 487 C PHE A 33 1.372 -8.232 10.748 1.00 0.00 C ATOM 488 O PHE A 33 0.414 -8.044 10.001 1.00 0.00 O ATOM 489 CB PHE A 33 3.217 -8.680 9.118 1.00 0.00 C ATOM 490 CG PHE A 33 4.483 -9.427 8.811 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.594 -9.301 9.629 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.563 -10.255 7.702 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.761 -9.988 9.349 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.726 -10.944 7.418 1.00 0.00 C ATOM 495 CZ PHE A 33 6.827 -10.809 8.241 1.00 0.00 C ATOM 0 H PHE A 33 1.042 -10.550 9.676 1.00 0.00 H new ATOM 0 HA PHE A 33 3.197 -9.258 11.188 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.547 -8.748 8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.452 -7.625 9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.548 -8.658 10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.707 -10.363 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.619 -9.882 9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.774 -11.588 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.738 -11.345 8.018 1.00 0.00 H new ATOM 505 N GLY A 34 1.504 -7.624 11.923 1.00 0.00 N ATOM 506 CA GLY A 34 0.499 -6.687 12.390 1.00 0.00 C ATOM 507 C GLY A 34 0.215 -5.592 11.382 1.00 0.00 C ATOM 508 O GLY A 34 1.110 -4.834 11.009 1.00 0.00 O ATOM 0 H GLY A 34 2.289 -7.764 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.423 -7.226 12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.832 -6.238 13.326 1.00 0.00 H new ATOM 512 N ALA A 35 -1.035 -5.508 10.938 1.00 0.00 N ATOM 513 CA ALA A 35 -1.435 -4.497 9.967 1.00 0.00 C ATOM 514 C ALA A 35 -2.239 -3.385 10.632 1.00 0.00 C ATOM 515 O ALA A 35 -3.258 -3.640 11.273 1.00 0.00 O ATOM 516 CB ALA A 35 -2.241 -5.133 8.844 1.00 0.00 C ATOM 0 H ALA A 35 -1.788 -6.128 11.236 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.531 -4.056 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.533 -4.366 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.634 -5.887 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.134 -5.602 9.257 1.00 0.00 H new ATOM 522 N SER A 36 -1.773 -2.150 10.476 1.00 0.00 N ATOM 523 CA SER A 36 -2.447 -0.998 11.065 1.00 0.00 C ATOM 524 C SER A 36 -2.768 0.046 10.001 1.00 0.00 C ATOM 525 O SER A 36 -1.882 0.516 9.287 1.00 0.00 O ATOM 526 CB SER A 36 -1.576 -0.377 12.159 1.00 0.00 C ATOM 527 OG SER A 36 -1.369 -1.288 13.225 1.00 0.00 O ATOM 0 H SER A 36 -0.932 -1.921 9.947 1.00 0.00 H new ATOM 0 HA SER A 36 -3.383 -1.341 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.615 -0.080 11.738 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.052 0.528 12.537 1.00 0.00 H new ATOM 0 HG SER A 36 -0.685 -0.933 13.830 1.00 0.00 H new ATOM 533 N LEU A 37 -4.043 0.406 9.901 1.00 0.00 N ATOM 534 CA LEU A 37 -4.485 1.396 8.924 1.00 0.00 C ATOM 535 C LEU A 37 -4.489 2.795 9.531 1.00 0.00 C ATOM 536 O LEU A 37 -5.311 3.106 10.393 1.00 0.00 O ATOM 537 CB LEU A 37 -5.882 1.045 8.409 1.00 0.00 C ATOM 538 CG LEU A 37 -6.260 1.625 7.046 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.345 1.078 5.961 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.716 1.321 6.722 1.00 0.00 C ATOM 0 H LEU A 37 -4.789 0.027 10.484 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.785 1.385 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.966 -0.040 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.614 1.385 9.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.136 2.707 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.629 1.502 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.313 1.347 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.437 -0.007 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.967 1.741 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.866 0.242 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.358 1.762 7.484 1.00 0.00 H new ATOM 552 N TYR A 38 -3.569 3.636 9.072 1.00 0.00 N ATOM 553 CA TYR A 38 -3.467 5.003 9.570 1.00 0.00 C ATOM 554 C TYR A 38 -3.878 6.005 8.496 1.00 0.00 C ATOM 555 O TYR A 38 -3.752 5.740 7.302 1.00 0.00 O ATOM 556 CB TYR A 38 -2.039 5.293 10.035 1.00 0.00 C ATOM 557 CG TYR A 38 -1.526 4.312 11.065 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.985 4.349 12.376 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.583 3.350 10.728 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.519 3.456 13.322 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.112 2.452 11.667 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.583 2.509 12.962 1.00 0.00 C ATOM 563 OH TYR A 38 -0.116 1.617 13.900 1.00 0.00 O ATOM 0 H TYR A 38 -2.883 3.395 8.356 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.145 5.107 10.417 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.375 5.280 9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.999 6.299 10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.719 5.089 12.661 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.211 3.303 9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.885 3.499 14.337 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.621 1.710 11.388 1.00 0.00 H new ATOM 0 HH TYR A 38 0.537 1.017 13.484 1.00 0.00 H new ATOM 573 N GLY A 39 -4.370 7.161 8.932 1.00 0.00 N ATOM 574 CA GLY A 39 -4.792 8.188 7.997 1.00 0.00 C ATOM 575 C GLY A 39 -6.270 8.503 8.111 1.00 0.00 C ATOM 576 O GLY A 39 -6.972 7.930 8.943 1.00 0.00 O ATOM 0 H GLY A 39 -4.484 7.405 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.215 9.096 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.570 7.863 6.980 1.00 0.00 H new ATOM 650 N ALA A 46 -1.264 8.940 5.386 1.00 0.00 N ATOM 651 CA ALA A 46 -1.781 7.578 5.363 1.00 0.00 C ATOM 652 C ALA A 46 -0.714 6.593 4.900 1.00 0.00 C ATOM 653 O ALA A 46 0.004 6.850 3.934 1.00 0.00 O ATOM 654 CB ALA A 46 -3.006 7.494 4.464 1.00 0.00 C ATOM 0 HA ALA A 46 -2.070 7.308 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.382 6.471 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.780 8.162 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.734 7.789 3.450 1.00 0.00 H new ATOM 660 N ARG A 47 -0.615 5.464 5.595 1.00 0.00 N ATOM 661 CA ARG A 47 0.366 4.441 5.255 1.00 0.00 C ATOM 662 C ARG A 47 0.066 3.135 5.985 1.00 0.00 C ATOM 663 O ARG A 47 -0.486 3.141 7.087 1.00 0.00 O ATOM 664 CB ARG A 47 1.776 4.921 5.604 1.00 0.00 C ATOM 665 CG ARG A 47 1.939 5.325 7.060 1.00 0.00 C ATOM 666 CD ARG A 47 3.401 5.333 7.476 1.00 0.00 C ATOM 667 NE ARG A 47 4.135 6.443 6.875 1.00 0.00 N ATOM 668 CZ ARG A 47 5.409 6.711 7.140 1.00 0.00 C ATOM 669 NH1 ARG A 47 6.086 5.953 7.991 1.00 0.00 N ATOM 670 NH2 ARG A 47 6.008 7.739 6.552 1.00 0.00 N ATOM 0 H ARG A 47 -1.202 5.235 6.397 1.00 0.00 H new ATOM 0 HA ARG A 47 0.307 4.259 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.488 4.128 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.029 5.770 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.510 6.315 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.383 4.635 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.469 5.399 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.866 4.391 7.185 1.00 0.00 H new ATOM 0 HE ARG A 47 3.643 7.046 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.629 5.162 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.064 6.161 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.490 8.324 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.986 7.944 6.756 1.00 0.00 H new ATOM 684 N LEU A 48 0.432 2.019 5.365 1.00 0.00 N ATOM 685 CA LEU A 48 0.201 0.705 5.956 1.00 0.00 C ATOM 686 C LEU A 48 1.471 0.172 6.612 1.00 0.00 C ATOM 687 O LEU A 48 2.474 -0.067 5.940 1.00 0.00 O ATOM 688 CB LEU A 48 -0.286 -0.277 4.889 1.00 0.00 C ATOM 689 CG LEU A 48 -1.193 -1.406 5.381 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.470 -0.841 5.983 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.517 -2.363 4.243 1.00 0.00 C ATOM 0 H LEU A 48 0.890 1.997 4.454 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.566 0.809 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.821 0.285 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.585 -0.721 4.408 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.664 -1.960 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.103 -1.659 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.221 -0.196 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.003 -0.263 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.163 -3.160 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.027 -1.821 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.594 -2.794 3.856 1.00 0.00 H new ATOM 703 N GLU A 49 1.419 -0.012 7.927 1.00 0.00 N ATOM 704 CA GLU A 49 2.566 -0.518 8.673 1.00 0.00 C ATOM 705 C GLU A 49 2.489 -2.035 8.825 1.00 0.00 C ATOM 706 O GLU A 49 1.404 -2.616 8.821 1.00 0.00 O ATOM 707 CB GLU A 49 2.637 0.141 10.051 1.00 0.00 C ATOM 708 CG GLU A 49 3.121 1.581 10.013 1.00 0.00 C ATOM 709 CD GLU A 49 3.359 2.154 11.397 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.823 1.401 12.278 1.00 0.00 O ATOM 711 OE2 GLU A 49 3.080 3.354 11.599 1.00 0.00 O ATOM 0 H GLU A 49 0.596 0.181 8.498 1.00 0.00 H new ATOM 0 HA GLU A 49 3.469 -0.271 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.649 0.111 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.303 -0.441 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.045 1.634 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.386 2.194 9.492 1.00 0.00 H new ATOM 718 N LEU A 50 3.649 -2.669 8.959 1.00 0.00 N ATOM 719 CA LEU A 50 3.715 -4.118 9.113 1.00 0.00 C ATOM 720 C LEU A 50 4.865 -4.517 10.032 1.00 0.00 C ATOM 721 O LEU A 50 6.011 -4.125 9.812 1.00 0.00 O ATOM 722 CB LEU A 50 3.881 -4.789 7.748 1.00 0.00 C ATOM 723 CG LEU A 50 2.668 -4.731 6.819 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.017 -5.293 5.450 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.496 -5.488 7.426 1.00 0.00 C ATOM 0 H LEU A 50 4.556 -2.203 8.964 1.00 0.00 H new ATOM 0 HA LEU A 50 2.781 -4.453 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.726 -4.326 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.140 -5.835 7.909 1.00 0.00 H new ATOM 0 HG LEU A 50 2.377 -3.688 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.142 -5.244 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.826 -4.708 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.334 -6.331 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.641 -5.437 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.776 -6.530 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.230 -5.040 8.384 1.00 0.00 H new ATOM 737 N GLN A 51 4.551 -5.298 11.060 1.00 0.00 N ATOM 738 CA GLN A 51 5.560 -5.751 12.011 1.00 0.00 C ATOM 739 C GLN A 51 5.092 -7.002 12.746 1.00 0.00 C ATOM 740 O GLN A 51 3.901 -7.172 13.006 1.00 0.00 O ATOM 741 CB GLN A 51 5.876 -4.642 13.016 1.00 0.00 C ATOM 742 CG GLN A 51 4.712 -4.302 13.933 1.00 0.00 C ATOM 743 CD GLN A 51 5.068 -3.246 14.961 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.695 -2.080 14.824 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.794 -3.648 15.997 1.00 0.00 N ATOM 0 H GLN A 51 3.607 -5.630 11.256 1.00 0.00 H new ATOM 0 HA GLN A 51 6.465 -5.997 11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.729 -4.945 13.623 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.174 -3.745 12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.872 -3.951 13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.382 -5.206 14.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.081 -4.624 16.070 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.065 -2.981 16.720 1.00 0.00 H new ATOM 959 N LYS A 65 8.680 -3.242 7.508 1.00 0.00 N ATOM 960 CA LYS A 65 8.033 -3.226 6.201 1.00 0.00 C ATOM 961 C LYS A 65 6.845 -2.269 6.195 1.00 0.00 C ATOM 962 O LYS A 65 5.869 -2.470 6.918 1.00 0.00 O ATOM 963 CB LYS A 65 7.569 -4.634 5.821 1.00 0.00 C ATOM 964 CG LYS A 65 6.737 -4.678 4.551 1.00 0.00 C ATOM 965 CD LYS A 65 7.599 -4.496 3.313 1.00 0.00 C ATOM 966 CE LYS A 65 8.326 -5.781 2.946 1.00 0.00 C ATOM 967 NZ LYS A 65 9.474 -5.528 2.032 1.00 0.00 N ATOM 0 HA LYS A 65 8.761 -2.880 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.442 -5.274 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.985 -5.049 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.211 -5.631 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.978 -3.897 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.975 -4.178 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.326 -3.703 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.685 -6.267 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.628 -6.470 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.943 -6.428 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.129 -5.087 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.153 -4.891 2.496 1.00 0.00 H new ATOM 981 N VAL A 66 6.933 -1.228 5.373 1.00 0.00 N ATOM 982 CA VAL A 66 5.864 -0.242 5.270 1.00 0.00 C ATOM 983 C VAL A 66 5.433 -0.047 3.821 1.00 0.00 C ATOM 984 O VAL A 66 6.263 0.194 2.943 1.00 0.00 O ATOM 985 CB VAL A 66 6.296 1.117 5.853 1.00 0.00 C ATOM 986 CG1 VAL A 66 7.078 1.916 4.821 1.00 0.00 C ATOM 987 CG2 VAL A 66 5.085 1.898 6.338 1.00 0.00 C ATOM 0 H VAL A 66 7.734 -1.046 4.768 1.00 0.00 H new ATOM 0 HA VAL A 66 5.023 -0.626 5.847 1.00 0.00 H new ATOM 0 HB VAL A 66 6.948 0.936 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.375 2.873 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.967 1.359 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.453 2.090 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.409 2.855 6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.406 2.071 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.571 1.328 7.112 1.00 0.00 H new ATOM 997 N ILE A 67 4.131 -0.152 3.577 1.00 0.00 N ATOM 998 CA ILE A 67 3.590 0.014 2.234 1.00 0.00 C ATOM 999 C ILE A 67 2.565 1.142 2.190 1.00 0.00 C ATOM 1000 O ILE A 67 1.386 0.935 2.481 1.00 0.00 O ATOM 1001 CB ILE A 67 2.932 -1.283 1.728 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.953 -2.422 1.700 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.332 -1.068 0.346 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.339 -3.790 1.902 1.00 0.00 C ATOM 0 H ILE A 67 3.431 -0.351 4.292 1.00 0.00 H new ATOM 0 HA ILE A 67 4.429 0.263 1.584 1.00 0.00 H new ATOM 0 HB ILE A 67 2.129 -1.557 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.477 -2.406 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.699 -2.249 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.871 -1.994 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.578 -0.283 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.118 -0.773 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.121 -4.548 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.839 -3.825 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.614 -3.984 1.112 1.00 0.00 H new ATOM 1016 N ARG A 68 3.021 2.335 1.824 1.00 0.00 N ATOM 1017 CA ARG A 68 2.143 3.496 1.741 1.00 0.00 C ATOM 1018 C ARG A 68 1.025 3.261 0.731 1.00 0.00 C ATOM 1019 O ARG A 68 1.278 2.908 -0.422 1.00 0.00 O ATOM 1020 CB ARG A 68 2.944 4.740 1.352 1.00 0.00 C ATOM 1021 CG ARG A 68 3.755 4.569 0.078 1.00 0.00 C ATOM 1022 CD ARG A 68 4.842 5.626 -0.037 1.00 0.00 C ATOM 1023 NE ARG A 68 4.323 6.891 -0.550 1.00 0.00 N ATOM 1024 CZ ARG A 68 4.912 8.064 -0.346 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.035 8.132 0.356 1.00 0.00 N ATOM 1026 NH2 ARG A 68 4.378 9.172 -0.845 1.00 0.00 N ATOM 0 H ARG A 68 3.993 2.523 1.580 1.00 0.00 H new ATOM 0 HA ARG A 68 1.695 3.653 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.259 5.578 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.617 4.998 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.207 3.577 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.094 4.630 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.294 5.790 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.631 5.264 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 68 3.461 6.873 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.448 7.282 0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.486 9.034 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.514 9.123 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.831 10.072 -0.688 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.213 3.458 1.170 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.372 3.267 0.305 1.00 0.00 C ATOM 1042 C LEU A 69 -1.164 3.952 -1.042 1.00 0.00 C ATOM 1043 O LEU A 69 -1.571 3.434 -2.082 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.632 3.814 0.978 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.028 3.153 2.299 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.244 3.843 2.898 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.302 1.670 2.092 1.00 0.00 C ATOM 0 H LEU A 69 -0.440 3.750 2.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.494 2.197 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.491 4.880 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.464 3.715 0.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.197 3.255 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.511 3.359 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.013 4.892 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.081 3.773 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.582 1.216 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.115 1.547 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.405 1.184 1.708 1.00 0.00 H new ATOM 1059 N SER A 70 -0.527 5.118 -1.016 1.00 0.00 N ATOM 1060 CA SER A 70 -0.266 5.874 -2.235 1.00 0.00 C ATOM 1061 C SER A 70 0.452 5.010 -3.267 1.00 0.00 C ATOM 1062 O SER A 70 0.204 5.124 -4.468 1.00 0.00 O ATOM 1063 CB SER A 70 0.572 7.115 -1.921 1.00 0.00 C ATOM 1064 OG SER A 70 -0.013 7.875 -0.877 1.00 0.00 O ATOM 0 H SER A 70 -0.182 5.560 -0.164 1.00 0.00 H new ATOM 0 HA SER A 70 -1.224 6.186 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.580 6.814 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.665 7.731 -2.816 1.00 0.00 H new ATOM 0 HG SER A 70 0.542 8.662 -0.694 1.00 0.00 H new ATOM 1070 N ASP A 71 1.342 4.147 -2.790 1.00 0.00 N ATOM 1071 CA ASP A 71 2.096 3.262 -3.671 1.00 0.00 C ATOM 1072 C ASP A 71 1.184 2.209 -4.294 1.00 0.00 C ATOM 1073 O ASP A 71 1.441 1.726 -5.397 1.00 0.00 O ATOM 1074 CB ASP A 71 3.227 2.581 -2.898 1.00 0.00 C ATOM 1075 CG ASP A 71 4.414 2.250 -3.781 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.225 1.531 -4.785 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.532 2.711 -3.469 1.00 0.00 O ATOM 0 H ASP A 71 1.559 4.041 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 71 2.524 3.865 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.552 3.232 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.851 1.665 -2.441 1.00 0.00 H new ATOM 1082 N CYS A 72 0.120 1.858 -3.580 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.829 0.861 -4.062 1.00 0.00 C ATOM 1084 C CYS A 72 -1.453 1.299 -5.383 1.00 0.00 C ATOM 1085 O CYS A 72 -2.484 1.974 -5.401 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.923 0.624 -3.021 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.303 0.101 -1.404 1.00 0.00 S ATOM 0 H CYS A 72 -0.107 2.249 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.288 -0.070 -4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.498 1.542 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.610 -0.134 -3.397 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.303 -0.072 -0.591 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.823 0.913 -6.486 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.315 1.266 -7.813 1.00 0.00 C ATOM 1095 C LEU A 73 -2.747 0.778 -8.011 1.00 0.00 C ATOM 1096 O LEU A 73 -3.646 1.564 -8.306 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.408 0.671 -8.891 1.00 0.00 C ATOM 1098 CG LEU A 73 1.013 1.231 -8.956 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.970 0.195 -9.525 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.048 2.505 -9.788 1.00 0.00 C ATOM 0 H LEU A 73 0.031 0.355 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.306 2.353 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.346 -0.406 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.882 0.823 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 73 1.333 1.474 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.976 0.612 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.968 -0.690 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.652 -0.080 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.068 2.889 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.707 2.288 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.394 3.252 -9.337 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.950 -0.525 -7.843 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.273 -1.118 -8.002 1.00 0.00 C ATOM 1114 C ARG A 74 -4.436 -2.333 -7.093 1.00 0.00 C ATOM 1115 O ARG A 74 -3.487 -3.083 -6.865 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.501 -1.524 -9.459 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.953 -1.835 -9.784 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.276 -3.301 -9.546 1.00 0.00 C ATOM 1119 NE ARG A 74 -5.649 -4.168 -10.541 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.058 -4.257 -11.801 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.090 -3.536 -12.219 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.436 -5.069 -12.647 1.00 0.00 N ATOM 0 H ARG A 74 -2.216 -1.189 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.015 -0.371 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.156 -0.720 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.892 -2.400 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.605 -1.214 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.157 -1.581 -10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.939 -3.589 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.356 -3.443 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.853 -4.736 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.571 -2.911 -11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.402 -3.606 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.643 -5.626 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.752 -5.136 -13.615 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.646 -2.519 -6.576 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.935 -3.642 -5.692 1.00 0.00 C ATOM 1138 C VAL A 75 -7.165 -4.410 -6.163 1.00 0.00 C ATOM 1139 O VAL A 75 -7.994 -3.881 -6.903 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.160 -3.173 -4.242 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.004 -2.301 -3.778 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.481 -2.428 -4.123 1.00 0.00 C ATOM 0 H VAL A 75 -6.442 -1.907 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.066 -4.299 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.204 -4.050 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.180 -1.979 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.076 -2.871 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.926 -1.427 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.624 -2.104 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.468 -1.557 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.298 -3.088 -4.413 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.279 -5.660 -5.727 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.409 -6.501 -6.101 1.00 0.00 C ATOM 1154 C ALA A 76 -8.755 -7.483 -4.988 1.00 0.00 C ATOM 1155 O ALA A 76 -8.055 -7.564 -3.980 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.107 -7.248 -7.392 1.00 0.00 C ATOM 0 H ALA A 76 -6.602 -6.113 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.273 -5.856 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.960 -7.872 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.917 -6.531 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.227 -7.876 -7.252 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.840 -8.228 -5.178 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.279 -9.204 -4.188 1.00 0.00 C ATOM 1164 C GLU A 77 -10.027 -10.627 -4.678 1.00 0.00 C ATOM 1165 O GLU A 77 -10.398 -10.985 -5.795 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.766 -9.016 -3.878 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.042 -7.915 -2.867 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.470 -7.411 -2.929 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.347 -8.031 -2.292 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.711 -6.396 -3.615 1.00 0.00 O ATOM 0 H GLU A 77 -10.430 -8.174 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.702 -9.044 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.296 -8.789 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.171 -9.955 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.836 -8.288 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.359 -7.084 -3.045 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.393 -11.434 -3.833 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.093 -12.818 -4.179 1.00 0.00 C ATOM 1179 C ALA A 78 -9.743 -13.783 -3.194 1.00 0.00 C ATOM 1180 O ALA A 78 -10.319 -13.367 -2.190 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.587 -13.037 -4.219 1.00 0.00 C ATOM 0 H ALA A 78 -9.077 -11.153 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.505 -13.017 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.377 -14.075 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.143 -12.379 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.161 -12.814 -3.241 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.555 -21.002 5.308 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.305 -20.005 6.063 1.00 0.00 C ATOM 1288 C ASP A 87 -11.610 -18.648 6.011 1.00 0.00 C ATOM 1289 O ASP A 87 -11.554 -17.928 7.009 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.470 -20.452 7.517 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.610 -19.739 8.216 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.773 -20.154 8.029 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.340 -18.765 8.950 1.00 0.00 O ATOM 0 HA ASP A 87 -13.290 -19.906 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.646 -21.527 7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.543 -20.266 8.059 1.00 0.00 H new ATOM 1298 N THR A 88 -11.079 -18.305 4.842 1.00 0.00 N ATOM 1299 CA THR A 88 -10.385 -17.036 4.660 1.00 0.00 C ATOM 1300 C THR A 88 -10.489 -16.555 3.217 1.00 0.00 C ATOM 1301 O THR A 88 -10.959 -17.282 2.342 1.00 0.00 O ATOM 1302 CB THR A 88 -8.898 -17.148 5.046 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.311 -18.289 4.409 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.739 -17.266 6.554 1.00 0.00 C ATOM 0 H THR A 88 -11.116 -18.889 4.006 1.00 0.00 H new ATOM 0 HA THR A 88 -10.869 -16.314 5.317 1.00 0.00 H new ATOM 0 HB THR A 88 -8.389 -16.244 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.365 -18.352 4.658 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.681 -17.344 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.161 -16.383 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.261 -18.156 6.906 1.00 0.00 H new ATOM 1312 N SER A 89 -10.047 -15.325 2.976 1.00 0.00 N ATOM 1313 CA SER A 89 -10.093 -14.745 1.638 1.00 0.00 C ATOM 1314 C SER A 89 -8.950 -13.754 1.437 1.00 0.00 C ATOM 1315 O SER A 89 -8.931 -12.681 2.040 1.00 0.00 O ATOM 1316 CB SER A 89 -11.435 -14.048 1.408 1.00 0.00 C ATOM 1317 OG SER A 89 -12.481 -14.992 1.258 1.00 0.00 O ATOM 0 H SER A 89 -9.653 -14.711 3.689 1.00 0.00 H new ATOM 0 HA SER A 89 -9.983 -15.552 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.654 -13.388 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.375 -13.422 0.518 1.00 0.00 H new ATOM 0 HG SER A 89 -12.137 -15.892 1.435 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.000 -14.122 0.583 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.855 -13.266 0.299 1.00 0.00 C ATOM 1325 C ALA A 90 -7.204 -12.210 -0.744 1.00 0.00 C ATOM 1326 O ALA A 90 -8.116 -12.398 -1.551 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.674 -14.103 -0.168 1.00 0.00 C ATOM 0 H ALA A 90 -8.001 -15.007 0.076 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.580 -12.751 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.826 -13.451 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.402 -14.815 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.947 -14.644 -1.074 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.475 -11.100 -0.723 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.709 -10.013 -1.667 1.00 0.00 C ATOM 1335 C PHE A 91 -5.456 -9.728 -2.490 1.00 0.00 C ATOM 1336 O PHE A 91 -4.370 -10.215 -2.176 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.143 -8.748 -0.923 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.153 -8.289 0.108 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.995 -8.987 1.295 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.379 -7.161 -0.109 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.085 -8.566 2.246 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.466 -6.736 0.838 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.319 -7.440 2.017 1.00 0.00 C ATOM 0 H PHE A 91 -5.717 -10.929 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.506 -10.319 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.300 -7.947 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.101 -8.932 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.590 -9.870 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.490 -6.607 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.973 -9.117 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.869 -5.855 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.606 -7.111 2.759 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.616 -8.936 -3.545 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.499 -8.587 -4.415 1.00 0.00 C ATOM 1355 C PHE A 92 -3.947 -7.208 -4.064 1.00 0.00 C ATOM 1356 O PHE A 92 -4.673 -6.342 -3.574 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.938 -8.614 -5.880 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.934 -9.991 -6.482 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.740 -10.623 -6.789 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.124 -10.653 -6.739 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.733 -11.889 -7.343 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.123 -11.919 -7.292 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.926 -12.539 -7.594 1.00 0.00 C ATOM 0 H PHE A 92 -6.508 -8.524 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.710 -9.324 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.941 -8.195 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.277 -7.970 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.804 -10.121 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.063 -10.174 -6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.795 -12.370 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.057 -12.424 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.923 -13.529 -8.025 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.658 -7.012 -4.317 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.006 -5.740 -4.028 1.00 0.00 C ATOM 1375 C LEU A 93 -0.843 -5.493 -4.984 1.00 0.00 C ATOM 1376 O LEU A 93 0.212 -6.114 -4.865 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.506 -5.717 -2.583 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.471 -4.346 -1.906 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.074 -4.483 -0.444 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.513 -3.416 -2.636 1.00 0.00 C ATOM 0 H LEU A 93 -2.043 -7.718 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.740 -4.946 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.140 -6.377 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.500 -6.137 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.471 -3.914 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.054 -3.498 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.798 -5.114 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.085 -4.936 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.500 -2.445 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.490 -3.843 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.841 -3.293 -3.668 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.045 -4.582 -5.931 1.00 0.00 N ATOM 1393 CA GLU A 94 -0.012 -4.254 -6.906 1.00 0.00 C ATOM 1394 C GLU A 94 0.586 -2.879 -6.623 1.00 0.00 C ATOM 1395 O GLU A 94 -0.135 -1.890 -6.490 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.588 -4.289 -8.324 1.00 0.00 C ATOM 1397 CG GLU A 94 0.470 -4.394 -9.408 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.072 -4.067 -10.786 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.976 -4.789 -11.255 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.409 -3.089 -11.396 1.00 0.00 O ATOM 0 H GLU A 94 -1.913 -4.059 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 94 0.779 -5.000 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.269 -5.136 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.178 -3.387 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.292 -3.717 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.880 -5.404 -9.413 1.00 0.00 H new ATOM 1407 N THR A 95 1.912 -2.824 -6.531 1.00 0.00 N ATOM 1408 CA THR A 95 2.608 -1.573 -6.261 1.00 0.00 C ATOM 1409 C THR A 95 3.720 -1.333 -7.276 1.00 0.00 C ATOM 1410 O THR A 95 3.999 -2.185 -8.120 1.00 0.00 O ATOM 1411 CB THR A 95 3.210 -1.559 -4.843 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.161 -2.620 -4.704 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.121 -1.706 -3.792 1.00 0.00 C ATOM 0 H THR A 95 2.525 -3.632 -6.640 1.00 0.00 H new ATOM 0 HA THR A 95 1.869 -0.776 -6.341 1.00 0.00 H new ATOM 0 HB THR A 95 3.710 -0.602 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.833 -3.416 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.570 -1.693 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.415 -0.880 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.596 -2.650 -3.941 1.00 0.00 H new ATOM 1421 N LYS A 96 4.355 -0.169 -7.187 1.00 0.00 N ATOM 1422 CA LYS A 96 5.439 0.183 -8.096 1.00 0.00 C ATOM 1423 C LYS A 96 6.590 -0.812 -7.981 1.00 0.00 C ATOM 1424 O LYS A 96 7.246 -1.132 -8.972 1.00 0.00 O ATOM 1425 CB LYS A 96 5.943 1.597 -7.798 1.00 0.00 C ATOM 1426 CG LYS A 96 5.198 2.680 -8.559 1.00 0.00 C ATOM 1427 CD LYS A 96 6.081 3.891 -8.813 1.00 0.00 C ATOM 1428 CE LYS A 96 5.351 4.953 -9.621 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.297 5.846 -10.345 1.00 0.00 N ATOM 0 H LYS A 96 4.137 0.547 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 96 5.051 0.148 -9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.853 1.788 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.003 1.655 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.845 2.280 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.317 2.983 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.403 4.314 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.981 3.582 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.686 4.471 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.725 5.549 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.761 6.556 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.915 6.326 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.877 5.281 -10.998 1.00 0.00 H new ATOM 1443 N GLU A 97 6.826 -1.299 -6.767 1.00 0.00 N ATOM 1444 CA GLU A 97 7.897 -2.259 -6.525 1.00 0.00 C ATOM 1445 C GLU A 97 7.574 -3.607 -7.163 1.00 0.00 C ATOM 1446 O GLU A 97 8.283 -4.068 -8.058 1.00 0.00 O ATOM 1447 CB GLU A 97 8.125 -2.435 -5.022 1.00 0.00 C ATOM 1448 CG GLU A 97 8.912 -1.300 -4.389 1.00 0.00 C ATOM 1449 CD GLU A 97 9.235 -1.556 -2.930 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.169 -2.339 -2.659 1.00 0.00 O ATOM 1451 OE2 GLU A 97 8.553 -0.976 -2.060 1.00 0.00 O ATOM 0 H GLU A 97 6.291 -1.045 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 97 8.808 -1.870 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.159 -2.518 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.654 -3.373 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.840 -1.154 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.341 -0.375 -4.474 1.00 0.00 H new ATOM 1458 N ARG A 98 6.500 -4.234 -6.695 1.00 0.00 N ATOM 1459 CA ARG A 98 6.083 -5.530 -7.218 1.00 0.00 C ATOM 1460 C ARG A 98 4.695 -5.902 -6.705 1.00 0.00 C ATOM 1461 O ARG A 98 4.078 -5.149 -5.950 1.00 0.00 O ATOM 1462 CB ARG A 98 7.091 -6.611 -6.823 1.00 0.00 C ATOM 1463 CG ARG A 98 7.083 -6.938 -5.339 1.00 0.00 C ATOM 1464 CD ARG A 98 8.272 -7.803 -4.953 1.00 0.00 C ATOM 1465 NE ARG A 98 9.430 -7.002 -4.567 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.558 -7.519 -4.092 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.678 -8.832 -3.945 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.568 -6.724 -3.763 1.00 0.00 N ATOM 0 H ARG A 98 5.903 -3.866 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 98 6.043 -5.460 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.877 -7.519 -7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.091 -6.285 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.101 -6.014 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.158 -7.455 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.992 -8.456 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.540 -8.446 -5.791 1.00 0.00 H new ATOM 0 HE ARG A 98 9.370 -5.989 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.904 -9.446 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.545 -9.227 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.479 -5.714 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.433 -7.123 -3.398 1.00 0.00 H new ATOM 1482 N LEU A 99 4.210 -7.067 -7.120 1.00 0.00 N ATOM 1483 CA LEU A 99 2.894 -7.539 -6.703 1.00 0.00 C ATOM 1484 C LEU A 99 2.991 -8.361 -5.422 1.00 0.00 C ATOM 1485 O LEU A 99 3.707 -9.361 -5.366 1.00 0.00 O ATOM 1486 CB LEU A 99 2.256 -8.377 -7.813 1.00 0.00 C ATOM 1487 CG LEU A 99 0.895 -8.994 -7.490 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.225 -8.021 -7.825 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.710 -10.303 -8.244 1.00 0.00 C ATOM 0 H LEU A 99 4.708 -7.702 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 99 2.268 -6.668 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.147 -7.750 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.944 -9.181 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 99 0.858 -9.205 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.186 -8.477 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.102 -7.110 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.190 -7.778 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.264 -10.728 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.768 -10.117 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.493 -11.003 -7.955 1.00 0.00 H new ATOM 1501 N TYR A 100 2.265 -7.934 -4.395 1.00 0.00 N ATOM 1502 CA TYR A 100 2.269 -8.630 -3.114 1.00 0.00 C ATOM 1503 C TYR A 100 0.920 -9.290 -2.847 1.00 0.00 C ATOM 1504 O TYR A 100 -0.105 -8.614 -2.738 1.00 0.00 O ATOM 1505 CB TYR A 100 2.606 -7.657 -1.982 1.00 0.00 C ATOM 1506 CG TYR A 100 3.972 -7.024 -2.115 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.128 -7.784 -1.992 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.107 -5.664 -2.366 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.378 -7.209 -2.112 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.353 -5.080 -2.490 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.486 -5.857 -2.361 1.00 0.00 C ATOM 1512 OH TYR A 100 7.729 -5.280 -2.483 1.00 0.00 O ATOM 0 H TYR A 100 1.666 -7.109 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 100 3.031 -9.408 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.852 -6.871 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.551 -8.186 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.048 -8.844 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.222 -5.053 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.266 -7.815 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.440 -4.022 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 100 7.629 -4.321 -2.658 1.00 0.00 H new ATOM 1522 N LEU A 101 0.926 -10.614 -2.743 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.297 -11.367 -2.489 1.00 0.00 C ATOM 1524 C LEU A 101 -0.432 -11.702 -1.006 1.00 0.00 C ATOM 1525 O LEU A 101 0.153 -12.673 -0.522 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.309 -12.653 -3.317 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.471 -13.611 -3.053 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.771 -13.034 -3.593 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.192 -14.972 -3.673 1.00 0.00 C ATOM 0 H LEU A 101 1.764 -11.188 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.144 -10.746 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.321 -12.382 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.624 -13.187 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.573 -13.739 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.587 -13.729 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.978 -12.083 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.680 -12.876 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.030 -15.641 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.062 -14.862 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.284 -15.390 -3.239 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.207 -10.895 -0.291 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.421 -11.106 1.136 1.00 0.00 C ATOM 1543 C LEU A 102 -2.770 -11.771 1.392 1.00 0.00 C ATOM 1544 O LEU A 102 -3.674 -11.703 0.560 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.345 -9.775 1.886 1.00 0.00 C ATOM 1546 CG LEU A 102 0.041 -9.136 1.979 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.284 -8.213 0.795 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.191 -8.375 3.289 1.00 0.00 C ATOM 0 H LEU A 102 -1.698 -10.088 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.635 -11.767 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.017 -9.068 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.721 -9.929 2.897 1.00 0.00 H new ATOM 0 HG LEU A 102 0.788 -9.930 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.275 -7.767 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.220 -8.784 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.469 -7.425 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.183 -7.927 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.564 -7.591 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.061 -9.062 4.126 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.899 -12.410 2.550 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.139 -13.083 2.917 1.00 0.00 C ATOM 1562 C ALA A 103 -4.845 -12.350 4.053 1.00 0.00 C ATOM 1563 O ALA A 103 -4.201 -11.797 4.943 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.860 -14.526 3.311 1.00 0.00 C ATOM 0 H ALA A 103 -2.160 -12.476 3.250 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.798 -13.076 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.795 -15.016 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.406 -15.051 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.179 -14.546 4.162 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.174 -12.350 4.014 1.00 0.00 N ATOM 1571 CA ALA A 104 -6.967 -11.686 5.041 1.00 0.00 C ATOM 1572 C ALA A 104 -8.244 -12.466 5.337 1.00 0.00 C ATOM 1573 O ALA A 104 -8.802 -13.143 4.473 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.302 -10.265 4.613 1.00 0.00 C ATOM 0 H ALA A 104 -6.723 -12.802 3.283 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.374 -11.648 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.894 -9.781 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.380 -9.705 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.872 -10.290 3.684 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.720 -12.371 6.588 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.936 -13.061 7.027 1.00 0.00 C ATOM 1582 C PRO A 105 -11.195 -12.473 6.399 1.00 0.00 C ATOM 1583 O PRO A 105 -11.490 -11.290 6.569 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.941 -12.841 8.542 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.156 -11.592 8.746 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.106 -11.582 7.670 1.00 0.00 C ATOM 0 HA PRO A 105 -9.937 -14.111 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.957 -12.737 8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.488 -13.683 9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.796 -10.713 8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.700 -11.575 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.873 -10.568 7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.173 -12.029 8.014 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.933 -13.306 5.673 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.162 -12.868 5.021 1.00 0.00 C ATOM 1596 C ALA A 106 -13.908 -11.854 5.882 1.00 0.00 C ATOM 1597 O ALA A 106 -14.576 -10.960 5.365 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.053 -14.063 4.718 1.00 0.00 C ATOM 0 H ALA A 106 -11.702 -14.288 5.521 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.894 -12.382 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.967 -13.722 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.526 -14.752 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.306 -14.573 5.647 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.790 -12.001 7.198 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.453 -11.097 8.130 1.00 0.00 C ATOM 1606 C ALA A 107 -13.985 -9.660 7.927 1.00 0.00 C ATOM 1607 O ALA A 107 -14.797 -8.756 7.731 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.199 -11.539 9.563 1.00 0.00 C ATOM 0 H ALA A 107 -13.242 -12.737 7.642 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.525 -11.134 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.700 -10.855 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.588 -12.547 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.127 -11.532 9.761 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.673 -9.457 7.975 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.099 -8.128 7.798 1.00 0.00 C ATOM 1616 C GLU A 108 -12.031 -7.758 6.319 1.00 0.00 C ATOM 1617 O GLU A 108 -12.242 -6.603 5.947 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.701 -8.065 8.415 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.689 -8.285 9.919 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.301 -8.158 10.516 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.366 -8.792 9.984 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.150 -7.425 11.516 1.00 0.00 O ATOM 0 H GLU A 108 -11.987 -10.195 8.135 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.744 -7.411 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.070 -8.817 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.259 -7.093 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.352 -7.562 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.087 -9.275 10.141 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.734 -8.746 5.481 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.636 -8.524 4.043 1.00 0.00 C ATOM 1631 C ARG A 109 -12.652 -7.482 3.583 1.00 0.00 C ATOM 1632 O ARG A 109 -12.283 -6.405 3.116 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.857 -9.836 3.287 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.488 -9.760 1.815 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.334 -10.708 0.979 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.741 -10.319 0.964 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.705 -11.065 0.437 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.414 -12.235 -0.116 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.962 -10.642 0.461 1.00 0.00 N ATOM 0 H ARG A 109 -11.557 -9.707 5.773 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.635 -8.151 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.268 -10.622 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.904 -10.125 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.622 -8.739 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.433 -10.005 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.953 -10.729 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.242 -11.720 1.374 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.998 -9.425 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.448 -12.563 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.156 -12.807 -0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.189 -9.742 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.701 -11.216 0.056 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.933 -7.812 3.718 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.981 -6.895 3.311 1.00 0.00 C ATOM 1655 C GLY A 110 -14.626 -5.448 3.587 1.00 0.00 C ATOM 1656 O GLY A 110 -14.892 -4.569 2.768 1.00 0.00 O ATOM 0 H GLY A 110 -14.263 -8.698 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.176 -7.021 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.903 -7.146 3.836 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.024 -5.199 4.745 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.632 -3.848 5.128 1.00 0.00 C ATOM 1662 C ASP A 111 -12.251 -3.506 4.577 1.00 0.00 C ATOM 1663 O ASP A 111 -12.097 -2.558 3.807 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.636 -3.705 6.651 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.012 -3.379 7.198 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -15.715 -2.554 6.579 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.385 -3.948 8.245 1.00 0.00 O ATOM 0 H ASP A 111 -13.797 -5.915 5.435 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.356 -3.152 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.279 -4.632 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.937 -2.920 6.941 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.251 -4.283 4.976 1.00 0.00 N ATOM 1673 CA TRP A 112 -9.883 -4.062 4.523 1.00 0.00 C ATOM 1674 C TRP A 112 -9.861 -3.551 3.087 1.00 0.00 C ATOM 1675 O TRP A 112 -9.437 -2.425 2.824 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.073 -5.355 4.629 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.387 -5.519 5.952 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.443 -6.608 6.774 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.544 -4.564 6.604 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.686 -6.387 7.899 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.123 -5.141 7.818 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.101 -3.279 6.280 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.283 -4.475 8.707 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.268 -2.619 7.163 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.865 -3.217 8.364 1.00 0.00 C ATOM 0 H TRP A 112 -11.362 -5.072 5.613 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.432 -3.306 5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.735 -6.205 4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.326 -5.373 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.000 -7.510 6.570 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.563 -7.044 8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.404 -2.810 5.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -5.972 -4.934 9.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.922 -1.625 6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.212 -2.675 9.032 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.321 -4.384 2.159 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.356 -4.015 0.749 1.00 0.00 C ATOM 1698 C VAL A 113 -11.091 -2.695 0.544 1.00 0.00 C ATOM 1699 O VAL A 113 -10.683 -1.867 -0.270 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.036 -5.106 -0.100 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.211 -4.634 -1.535 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.235 -6.398 -0.048 1.00 0.00 C ATOM 0 H VAL A 113 -10.675 -5.320 2.359 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.321 -3.905 0.425 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.025 -5.302 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.693 -5.418 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.830 -3.737 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.235 -4.408 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.730 -7.158 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.232 -6.220 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.168 -6.743 0.984 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.175 -2.506 1.289 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.967 -1.286 1.189 1.00 0.00 C ATOM 1714 C GLN A 114 -12.173 -0.080 1.681 1.00 0.00 C ATOM 1715 O GLN A 114 -11.817 0.802 0.900 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.260 -1.424 1.994 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.234 -0.276 1.782 1.00 0.00 C ATOM 1718 CD GLN A 114 -15.757 -0.210 0.361 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.434 -1.057 -0.472 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.571 0.800 0.076 1.00 0.00 N ATOM 0 H GLN A 114 -12.525 -3.182 1.968 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.217 -1.130 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.749 -2.359 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.013 -1.489 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.073 -0.385 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.740 0.664 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.812 1.480 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.955 0.896 -0.864 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.900 -0.049 2.981 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.147 1.048 3.577 1.00 0.00 C ATOM 1731 C ALA A 115 -9.913 1.381 2.747 1.00 0.00 C ATOM 1732 O ALA A 115 -9.699 2.534 2.371 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.749 0.700 5.004 1.00 0.00 C ATOM 0 H ALA A 115 -12.189 -0.771 3.642 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.788 1.929 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.187 1.528 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.645 0.519 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.129 -0.197 5.000 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.103 0.366 2.466 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.890 0.552 1.680 1.00 0.00 C ATOM 1741 C ILE A 116 -8.197 1.223 0.345 1.00 0.00 C ATOM 1742 O ILE A 116 -7.481 2.129 -0.085 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.178 -0.788 1.416 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.724 -1.418 2.735 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.993 -0.584 0.484 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.246 -2.845 2.590 1.00 0.00 C ATOM 0 H ILE A 116 -9.265 -0.594 2.771 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.232 1.195 2.265 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.881 -1.467 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.920 -0.815 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.551 -1.391 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.500 -1.540 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.342 -0.175 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.286 0.109 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.940 -3.227 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.054 -3.461 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.399 -2.877 1.905 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.265 0.775 -0.304 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.668 1.332 -1.590 1.00 0.00 C ATOM 1760 C CYS A 117 -9.990 2.818 -1.461 1.00 0.00 C ATOM 1761 O CYS A 117 -9.623 3.620 -2.321 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.883 0.581 -2.137 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.580 1.301 -3.642 1.00 0.00 S ATOM 0 H CYS A 117 -9.868 0.027 0.039 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.836 1.217 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.598 -0.451 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.656 0.553 -1.369 1.00 0.00 H new ATOM 0 HG CYS A 117 -12.601 0.595 -4.028 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.678 3.178 -0.384 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.051 4.567 -0.143 1.00 0.00 C ATOM 1771 C LEU A 118 -9.813 5.453 -0.040 1.00 0.00 C ATOM 1772 O LEU A 118 -9.690 6.451 -0.752 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.880 4.679 1.137 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.394 4.546 0.971 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.759 3.144 0.510 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.106 4.885 2.272 1.00 0.00 C ATOM 0 H LEU A 118 -10.989 2.527 0.337 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.650 4.908 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.542 3.911 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.669 5.643 1.599 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.720 5.253 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.840 3.068 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.279 2.939 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.419 2.418 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.183 4.785 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.775 4.204 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.871 5.910 2.559 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.899 5.082 0.849 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.669 5.841 1.044 1.00 0.00 C ATOM 1790 C LEU A 119 -6.746 5.702 -0.162 1.00 0.00 C ATOM 1791 O LEU A 119 -6.478 6.675 -0.867 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.949 5.369 2.308 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.367 6.049 3.612 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.858 5.264 4.811 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -6.854 7.481 3.655 1.00 0.00 C ATOM 0 H LEU A 119 -8.986 4.260 1.447 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.935 6.892 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.109 4.296 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.878 5.520 2.170 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.456 6.072 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.165 5.763 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.273 4.256 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.770 5.209 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.161 7.950 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.766 7.480 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.267 8.041 2.816 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.264 4.486 -0.394 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.374 4.218 -1.518 1.00 0.00 C ATOM 1809 C ALA A 120 -5.854 4.929 -2.779 1.00 0.00 C ATOM 1810 O ALA A 120 -5.049 5.426 -3.568 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.268 2.720 -1.762 1.00 0.00 C ATOM 0 H ALA A 120 -6.474 3.670 0.181 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.386 4.605 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.601 2.535 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.872 2.233 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.256 2.317 -1.987 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.169 4.973 -2.964 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.755 5.622 -4.131 1.00 0.00 C ATOM 1819 C PHE A 121 -8.708 6.738 -3.712 1.00 0.00 C ATOM 1820 O PHE A 121 -9.841 6.813 -4.187 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.499 4.597 -4.990 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.710 3.345 -5.248 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.456 2.447 -4.224 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.222 3.067 -6.515 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.731 1.294 -4.458 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.497 1.915 -6.755 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.250 1.028 -5.725 1.00 0.00 C ATOM 0 H PHE A 121 -7.849 4.567 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.947 6.060 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.434 4.332 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.760 5.055 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.829 2.650 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.410 3.758 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.541 0.602 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.124 1.708 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.682 0.128 -5.910 1.00 0.00 H new