USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= 0.0326 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0658 X(o=0.066,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=-0.46) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0341 (180deg=-0.319) USER MOD Single : A 70 SER OG : rot 180:sc= -0.399 USER MOD Single : A 72 CYS SG : rot 180:sc= -3.17! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 6:sc= 0.293 USER MOD Single : A 95 THR OG1 : rot -40:sc= 0.73 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -160:sc= -0.476 USER MOD Single : A 114 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.1) USER MOD Single : A 117 CYS SG : rot 22:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.798 4.239 11.927 1.00 0.00 N ATOM 120 CA VAL A 13 -8.221 4.172 11.615 1.00 0.00 C ATOM 121 C VAL A 13 -8.763 2.762 11.823 1.00 0.00 C ATOM 122 O VAL A 13 -9.839 2.577 12.394 1.00 0.00 O ATOM 123 CB VAL A 13 -8.499 4.608 10.165 1.00 0.00 C ATOM 124 CG1 VAL A 13 -9.981 4.485 9.844 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.011 6.030 9.934 1.00 0.00 C ATOM 0 HA VAL A 13 -8.727 4.857 12.295 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.951 3.946 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.158 4.798 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.295 3.449 9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.554 5.121 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.215 6.322 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.529 6.707 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.938 6.081 10.119 1.00 0.00 H new ATOM 135 N LYS A 14 -8.012 1.770 11.358 1.00 0.00 N ATOM 136 CA LYS A 14 -8.415 0.376 11.494 1.00 0.00 C ATOM 137 C LYS A 14 -7.214 -0.510 11.809 1.00 0.00 C ATOM 138 O LYS A 14 -6.157 -0.380 11.192 1.00 0.00 O ATOM 139 CB LYS A 14 -9.095 -0.107 10.210 1.00 0.00 C ATOM 140 CG LYS A 14 -9.554 -1.554 10.273 1.00 0.00 C ATOM 141 CD LYS A 14 -9.852 -2.105 8.888 1.00 0.00 C ATOM 142 CE LYS A 14 -10.116 -3.602 8.929 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.392 -3.922 9.626 1.00 0.00 N ATOM 0 H LYS A 14 -7.120 1.906 10.883 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.122 0.307 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.955 0.530 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.403 0.010 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.784 -2.161 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.446 -1.627 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.719 -1.593 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.011 -1.901 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.150 -3.993 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.290 -4.102 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.207 -4.595 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.802 -3.050 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.060 -4.345 8.950 1.00 0.00 H new ATOM 157 N GLN A 15 -7.384 -1.409 12.773 1.00 0.00 N ATOM 158 CA GLN A 15 -6.313 -2.316 13.169 1.00 0.00 C ATOM 159 C GLN A 15 -6.711 -3.768 12.924 1.00 0.00 C ATOM 160 O GLN A 15 -7.863 -4.149 13.128 1.00 0.00 O ATOM 161 CB GLN A 15 -5.964 -2.113 14.644 1.00 0.00 C ATOM 162 CG GLN A 15 -5.394 -0.737 14.950 1.00 0.00 C ATOM 163 CD GLN A 15 -5.611 -0.323 16.392 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.080 -1.112 17.213 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.269 0.921 16.709 1.00 0.00 N ATOM 0 H GLN A 15 -8.253 -1.529 13.294 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.437 -2.091 12.561 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.860 -2.268 15.245 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.242 -2.872 14.946 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.326 -0.734 14.732 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.856 -0.002 14.291 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.884 1.541 15.997 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.392 1.256 17.665 1.00 0.00 H new ATOM 174 N GLY A 16 -5.749 -4.574 12.484 1.00 0.00 N ATOM 175 CA GLY A 16 -6.019 -5.975 12.218 1.00 0.00 C ATOM 176 C GLY A 16 -4.764 -6.752 11.874 1.00 0.00 C ATOM 177 O GLY A 16 -3.659 -6.209 11.912 1.00 0.00 O ATOM 0 H GLY A 16 -4.788 -4.282 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.492 -6.423 13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.729 -6.055 11.395 1.00 0.00 H new ATOM 181 N PHE A 17 -4.932 -8.027 11.540 1.00 0.00 N ATOM 182 CA PHE A 17 -3.803 -8.881 11.190 1.00 0.00 C ATOM 183 C PHE A 17 -3.854 -9.274 9.717 1.00 0.00 C ATOM 184 O PHE A 17 -4.922 -9.570 9.178 1.00 0.00 O ATOM 185 CB PHE A 17 -3.797 -10.137 12.064 1.00 0.00 C ATOM 186 CG PHE A 17 -4.104 -9.863 13.509 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.165 -9.257 14.328 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.332 -10.211 14.048 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.444 -9.003 15.658 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.617 -9.960 15.377 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.672 -9.356 16.183 1.00 0.00 C ATOM 0 H PHE A 17 -5.839 -8.492 11.504 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.886 -8.319 11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.528 -10.845 11.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.820 -10.615 11.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.203 -8.980 13.922 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.075 -10.684 13.423 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.703 -8.529 16.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.578 -10.236 15.785 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.893 -9.160 17.222 1.00 0.00 H new ATOM 201 N LEU A 18 -2.694 -9.274 9.070 1.00 0.00 N ATOM 202 CA LEU A 18 -2.605 -9.630 7.658 1.00 0.00 C ATOM 203 C LEU A 18 -1.488 -10.641 7.421 1.00 0.00 C ATOM 204 O LEU A 18 -0.451 -10.603 8.084 1.00 0.00 O ATOM 205 CB LEU A 18 -2.364 -8.379 6.811 1.00 0.00 C ATOM 206 CG LEU A 18 -3.553 -7.429 6.664 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.117 -6.125 6.015 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.663 -8.085 5.855 1.00 0.00 C ATOM 0 H LEU A 18 -1.802 -9.031 9.501 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.551 -10.085 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.533 -7.824 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.050 -8.693 5.816 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.939 -7.205 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.976 -5.461 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.357 -5.647 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.704 -6.330 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.501 -7.395 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.289 -8.339 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.995 -8.991 6.361 1.00 0.00 H new ATOM 220 N TYR A 19 -1.705 -11.544 6.471 1.00 0.00 N ATOM 221 CA TYR A 19 -0.717 -12.566 6.146 1.00 0.00 C ATOM 222 C TYR A 19 0.012 -12.226 4.850 1.00 0.00 C ATOM 223 O TYR A 19 -0.613 -11.968 3.821 1.00 0.00 O ATOM 224 CB TYR A 19 -1.390 -13.934 6.022 1.00 0.00 C ATOM 225 CG TYR A 19 -2.339 -14.247 7.157 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.861 -14.621 8.406 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.715 -14.168 6.979 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.724 -14.909 9.445 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.586 -14.453 8.013 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.086 -14.823 9.244 1.00 0.00 C ATOM 231 OH TYR A 19 -4.950 -15.108 10.276 1.00 0.00 O ATOM 0 H TYR A 19 -2.557 -11.589 5.912 1.00 0.00 H new ATOM 0 HA TYR A 19 0.013 -12.600 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.937 -13.976 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.621 -14.705 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.795 -14.688 8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.110 -13.879 6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.335 -15.200 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.653 -14.386 7.858 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.874 -14.998 9.969 1.00 0.00 H new ATOM 241 N LEU A 20 1.339 -12.228 4.909 1.00 0.00 N ATOM 242 CA LEU A 20 2.157 -11.921 3.740 1.00 0.00 C ATOM 243 C LEU A 20 3.069 -13.092 3.391 1.00 0.00 C ATOM 244 O LEU A 20 3.873 -13.531 4.212 1.00 0.00 O ATOM 245 CB LEU A 20 2.994 -10.666 3.995 1.00 0.00 C ATOM 246 CG LEU A 20 4.143 -10.416 3.017 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.658 -10.537 1.581 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.762 -9.047 3.260 1.00 0.00 C ATOM 0 H LEU A 20 1.872 -12.439 5.753 1.00 0.00 H new ATOM 0 HA LEU A 20 1.490 -11.741 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.331 -9.801 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.407 -10.727 5.002 1.00 0.00 H new ATOM 0 HG LEU A 20 4.909 -11.173 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.489 -10.356 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.263 -11.539 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.873 -9.803 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.578 -8.886 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.005 -8.275 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.147 -8.998 4.278 1.00 0.00 H new ATOM 260 N GLN A 21 2.939 -13.591 2.165 1.00 0.00 N ATOM 261 CA GLN A 21 3.753 -14.711 1.707 1.00 0.00 C ATOM 262 C GLN A 21 5.119 -14.230 1.229 1.00 0.00 C ATOM 263 O GLN A 21 5.214 -13.408 0.318 1.00 0.00 O ATOM 264 CB GLN A 21 3.040 -15.460 0.581 1.00 0.00 C ATOM 265 CG GLN A 21 3.494 -16.903 0.426 1.00 0.00 C ATOM 266 CD GLN A 21 2.856 -17.591 -0.764 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.441 -17.657 -1.845 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.648 -18.110 -0.570 1.00 0.00 N ATOM 0 H GLN A 21 2.279 -13.238 1.472 1.00 0.00 H new ATOM 0 HA GLN A 21 3.900 -15.389 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.966 -15.444 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.208 -14.932 -0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.578 -16.929 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.251 -17.456 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.200 -18.032 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.169 -18.586 -1.334 1.00 0.00 H new ATOM 413 N TRP A 30 3.074 -18.819 4.817 1.00 0.00 N ATOM 414 CA TRP A 30 2.272 -17.664 5.203 1.00 0.00 C ATOM 415 C TRP A 30 2.721 -17.115 6.553 1.00 0.00 C ATOM 416 O TRP A 30 2.526 -17.753 7.588 1.00 0.00 O ATOM 417 CB TRP A 30 0.791 -18.041 5.259 1.00 0.00 C ATOM 418 CG TRP A 30 0.131 -18.057 3.913 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.302 -19.155 3.227 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.168 -16.924 3.092 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.853 -18.772 2.027 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.784 -17.408 1.921 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.022 -15.546 3.232 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.208 -16.563 0.899 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.400 -14.709 2.217 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.009 -15.219 1.063 1.00 0.00 C ATOM 0 HA TRP A 30 2.414 -16.888 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.691 -19.025 5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.268 -17.335 5.904 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.223 -20.174 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.249 -19.401 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.490 -15.143 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.677 -16.954 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.258 -13.643 2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.328 -14.538 0.288 1.00 0.00 H new ATOM 437 N ARG A 31 3.322 -15.930 6.536 1.00 0.00 N ATOM 438 CA ARG A 31 3.800 -15.298 7.759 1.00 0.00 C ATOM 439 C ARG A 31 2.907 -14.122 8.147 1.00 0.00 C ATOM 440 O ARG A 31 2.761 -13.164 7.389 1.00 0.00 O ATOM 441 CB ARG A 31 5.242 -14.820 7.582 1.00 0.00 C ATOM 442 CG ARG A 31 6.263 -15.946 7.596 1.00 0.00 C ATOM 443 CD ARG A 31 7.633 -15.450 8.034 1.00 0.00 C ATOM 444 NE ARG A 31 8.684 -16.423 7.747 1.00 0.00 N ATOM 445 CZ ARG A 31 9.892 -16.384 8.298 1.00 0.00 C ATOM 446 NH1 ARG A 31 10.199 -15.425 9.161 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.795 -17.305 7.986 1.00 0.00 N ATOM 0 H ARG A 31 3.489 -15.388 5.688 1.00 0.00 H new ATOM 0 HA ARG A 31 3.766 -16.038 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.323 -14.279 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.482 -14.114 8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.928 -16.734 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.335 -16.386 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.859 -14.512 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.617 -15.238 9.103 1.00 0.00 H new ATOM 0 HE ARG A 31 8.479 -17.173 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.507 -14.716 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.127 -15.397 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.562 -18.044 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.722 -17.274 8.410 1.00 0.00 H new ATOM 461 N ARG A 32 2.312 -14.205 9.333 1.00 0.00 N ATOM 462 CA ARG A 32 1.432 -13.149 9.821 1.00 0.00 C ATOM 463 C ARG A 32 2.241 -11.953 10.316 1.00 0.00 C ATOM 464 O ARG A 32 3.308 -12.114 10.908 1.00 0.00 O ATOM 465 CB ARG A 32 0.542 -13.678 10.947 1.00 0.00 C ATOM 466 CG ARG A 32 -0.584 -12.731 11.329 1.00 0.00 C ATOM 467 CD ARG A 32 -1.361 -13.245 12.531 1.00 0.00 C ATOM 468 NE ARG A 32 -0.789 -12.781 13.792 1.00 0.00 N ATOM 469 CZ ARG A 32 -1.287 -13.092 14.983 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.362 -13.863 15.075 1.00 0.00 N ATOM 471 NH2 ARG A 32 -0.711 -12.631 16.086 1.00 0.00 N ATOM 0 H ARG A 32 2.423 -14.991 9.973 1.00 0.00 H new ATOM 0 HA ARG A 32 0.803 -12.822 8.993 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.114 -14.633 10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.158 -13.870 11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.173 -11.747 11.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.260 -12.608 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.398 -12.916 12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.371 -14.335 12.517 1.00 0.00 H new ATOM 0 HE ARG A 32 0.038 -12.185 13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.808 -14.219 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.742 -14.100 15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.115 -12.037 16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.095 -12.871 17.000 1.00 0.00 H new ATOM 485 N PHE A 33 1.725 -10.754 10.069 1.00 0.00 N ATOM 486 CA PHE A 33 2.399 -9.531 10.488 1.00 0.00 C ATOM 487 C PHE A 33 1.387 -8.457 10.875 1.00 0.00 C ATOM 488 O PHE A 33 0.531 -8.078 10.076 1.00 0.00 O ATOM 489 CB PHE A 33 3.305 -9.013 9.368 1.00 0.00 C ATOM 490 CG PHE A 33 4.310 -10.024 8.895 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.248 -10.550 9.769 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.318 -10.448 7.576 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.174 -11.481 9.337 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.241 -11.379 7.138 1.00 0.00 C ATOM 495 CZ PHE A 33 6.171 -11.895 8.019 1.00 0.00 C ATOM 0 H PHE A 33 0.842 -10.603 9.581 1.00 0.00 H new ATOM 0 HA PHE A 33 3.008 -9.763 11.361 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.687 -8.705 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.832 -8.125 9.719 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.256 -10.229 10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.595 -10.046 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.899 -11.884 10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.235 -11.703 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.895 -12.621 7.678 1.00 0.00 H new ATOM 505 N GLY A 34 1.491 -7.971 12.108 1.00 0.00 N ATOM 506 CA GLY A 34 0.578 -6.946 12.581 1.00 0.00 C ATOM 507 C GLY A 34 0.259 -5.917 11.515 1.00 0.00 C ATOM 508 O GLY A 34 1.160 -5.303 10.945 1.00 0.00 O ATOM 0 H GLY A 34 2.191 -8.268 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.347 -7.415 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.015 -6.446 13.445 1.00 0.00 H new ATOM 512 N ALA A 35 -1.029 -5.730 11.243 1.00 0.00 N ATOM 513 CA ALA A 35 -1.465 -4.768 10.238 1.00 0.00 C ATOM 514 C ALA A 35 -2.155 -3.573 10.885 1.00 0.00 C ATOM 515 O ALA A 35 -3.026 -3.735 11.740 1.00 0.00 O ATOM 516 CB ALA A 35 -2.393 -5.438 9.235 1.00 0.00 C ATOM 0 H ALA A 35 -1.788 -6.232 11.704 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.583 -4.403 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.711 -4.709 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.866 -6.255 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.267 -5.831 9.754 1.00 0.00 H new ATOM 522 N SER A 36 -1.761 -2.373 10.472 1.00 0.00 N ATOM 523 CA SER A 36 -2.339 -1.149 11.016 1.00 0.00 C ATOM 524 C SER A 36 -2.634 -0.147 9.904 1.00 0.00 C ATOM 525 O SER A 36 -1.766 0.168 9.089 1.00 0.00 O ATOM 526 CB SER A 36 -1.392 -0.525 12.042 1.00 0.00 C ATOM 527 OG SER A 36 -1.196 -1.389 13.148 1.00 0.00 O ATOM 0 H SER A 36 -1.044 -2.222 9.763 1.00 0.00 H new ATOM 0 HA SER A 36 -3.277 -1.407 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.433 -0.308 11.572 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.800 0.425 12.387 1.00 0.00 H new ATOM 0 HG SER A 36 -0.586 -0.967 13.788 1.00 0.00 H new ATOM 533 N LEU A 37 -3.865 0.351 9.877 1.00 0.00 N ATOM 534 CA LEU A 37 -4.277 1.318 8.865 1.00 0.00 C ATOM 535 C LEU A 37 -4.419 2.711 9.469 1.00 0.00 C ATOM 536 O LEU A 37 -5.263 2.941 10.335 1.00 0.00 O ATOM 537 CB LEU A 37 -5.601 0.888 8.230 1.00 0.00 C ATOM 538 CG LEU A 37 -6.180 1.836 7.179 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.230 1.969 5.999 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.545 1.349 6.716 1.00 0.00 C ATOM 0 H LEU A 37 -4.595 0.101 10.544 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.506 1.353 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.460 -0.090 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.338 0.763 9.023 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.302 2.820 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.659 2.647 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.275 2.365 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.075 0.990 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.942 2.036 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.448 0.355 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.224 1.307 7.567 1.00 0.00 H new ATOM 552 N TYR A 38 -3.588 3.638 9.006 1.00 0.00 N ATOM 553 CA TYR A 38 -3.619 5.009 9.500 1.00 0.00 C ATOM 554 C TYR A 38 -4.186 5.956 8.447 1.00 0.00 C ATOM 555 O TYR A 38 -4.127 5.677 7.250 1.00 0.00 O ATOM 556 CB TYR A 38 -2.215 5.460 9.905 1.00 0.00 C ATOM 557 CG TYR A 38 -1.593 4.608 10.988 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.890 4.827 12.327 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.709 3.584 10.672 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.324 4.051 13.320 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.139 2.802 11.658 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.450 3.040 12.981 1.00 0.00 C ATOM 563 OH TYR A 38 0.117 2.264 13.966 1.00 0.00 O ATOM 0 H TYR A 38 -2.884 3.464 8.289 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.269 5.037 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.570 5.444 9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.260 6.493 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.575 5.617 12.596 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.463 3.396 9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.565 4.235 14.357 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.546 2.009 11.395 1.00 0.00 H new ATOM 0 HH TYR A 38 0.708 1.597 13.558 1.00 0.00 H new ATOM 573 N GLY A 39 -4.736 7.077 8.902 1.00 0.00 N ATOM 574 CA GLY A 39 -5.305 8.049 7.987 1.00 0.00 C ATOM 575 C GLY A 39 -6.707 8.467 8.383 1.00 0.00 C ATOM 576 O GLY A 39 -6.935 8.914 9.507 1.00 0.00 O ATOM 0 H GLY A 39 -4.798 7.330 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.663 8.929 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.325 7.629 6.982 1.00 0.00 H new ATOM 650 N ALA A 46 -1.979 8.752 4.969 1.00 0.00 N ATOM 651 CA ALA A 46 -2.427 7.366 4.943 1.00 0.00 C ATOM 652 C ALA A 46 -1.285 6.426 4.570 1.00 0.00 C ATOM 653 O ALA A 46 -0.666 6.575 3.516 1.00 0.00 O ATOM 654 CB ALA A 46 -3.586 7.204 3.971 1.00 0.00 C ATOM 0 HA ALA A 46 -2.767 7.102 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.910 6.163 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.414 7.840 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.265 7.493 2.970 1.00 0.00 H new ATOM 660 N ARG A 47 -1.012 5.460 5.440 1.00 0.00 N ATOM 661 CA ARG A 47 0.057 4.497 5.201 1.00 0.00 C ATOM 662 C ARG A 47 -0.200 3.199 5.961 1.00 0.00 C ATOM 663 O ARG A 47 -0.747 3.211 7.064 1.00 0.00 O ATOM 664 CB ARG A 47 1.406 5.087 5.620 1.00 0.00 C ATOM 665 CG ARG A 47 1.464 5.496 7.082 1.00 0.00 C ATOM 666 CD ARG A 47 2.869 5.912 7.489 1.00 0.00 C ATOM 667 NE ARG A 47 3.348 7.052 6.712 1.00 0.00 N ATOM 668 CZ ARG A 47 3.032 8.313 6.986 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.241 8.594 8.012 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.508 9.296 6.232 1.00 0.00 N ATOM 0 H ARG A 47 -1.516 5.323 6.316 1.00 0.00 H new ATOM 0 HA ARG A 47 0.080 4.275 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.190 4.355 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.621 5.957 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.774 6.321 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.134 4.666 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.879 6.166 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.549 5.071 7.356 1.00 0.00 H new ATOM 0 HE ARG A 47 3.959 6.870 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.873 7.841 8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.000 9.563 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.117 9.084 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.265 10.264 6.443 1.00 0.00 H new ATOM 684 N LEU A 48 0.196 2.081 5.362 1.00 0.00 N ATOM 685 CA LEU A 48 0.008 0.774 5.982 1.00 0.00 C ATOM 686 C LEU A 48 1.309 0.272 6.599 1.00 0.00 C ATOM 687 O LEU A 48 2.314 0.114 5.907 1.00 0.00 O ATOM 688 CB LEU A 48 -0.503 -0.233 4.949 1.00 0.00 C ATOM 689 CG LEU A 48 -1.392 -1.354 5.487 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.679 -0.785 6.063 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.697 -2.365 4.392 1.00 0.00 C ATOM 0 H LEU A 48 0.649 2.053 4.448 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.732 0.878 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.060 0.311 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.357 -0.684 4.455 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.855 -1.865 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.299 -1.598 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.442 -0.101 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.220 -0.248 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.331 -3.156 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.213 -1.867 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.766 -2.797 4.026 1.00 0.00 H new ATOM 703 N GLU A 49 1.280 0.020 7.904 1.00 0.00 N ATOM 704 CA GLU A 49 2.458 -0.467 8.613 1.00 0.00 C ATOM 705 C GLU A 49 2.442 -1.989 8.714 1.00 0.00 C ATOM 706 O GLU A 49 1.401 -2.624 8.537 1.00 0.00 O ATOM 707 CB GLU A 49 2.528 0.147 10.013 1.00 0.00 C ATOM 708 CG GLU A 49 3.210 1.504 10.049 1.00 0.00 C ATOM 709 CD GLU A 49 4.703 1.413 9.802 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.299 0.371 10.149 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.277 2.382 9.263 1.00 0.00 O ATOM 0 H GLU A 49 0.455 0.145 8.491 1.00 0.00 H new ATOM 0 HA GLU A 49 3.340 -0.167 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.517 0.247 10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.062 -0.536 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.760 2.153 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.034 1.970 11.019 1.00 0.00 H new ATOM 718 N LEU A 50 3.603 -2.569 8.998 1.00 0.00 N ATOM 719 CA LEU A 50 3.724 -4.018 9.122 1.00 0.00 C ATOM 720 C LEU A 50 4.727 -4.389 10.210 1.00 0.00 C ATOM 721 O LEU A 50 5.756 -3.733 10.369 1.00 0.00 O ATOM 722 CB LEU A 50 4.153 -4.630 7.788 1.00 0.00 C ATOM 723 CG LEU A 50 3.081 -4.683 6.699 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.668 -5.202 5.396 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.913 -5.552 7.142 1.00 0.00 C ATOM 0 H LEU A 50 4.474 -2.059 9.147 1.00 0.00 H new ATOM 0 HA LEU A 50 2.749 -4.417 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.002 -4.062 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.505 -5.645 7.973 1.00 0.00 H new ATOM 0 HG LEU A 50 2.713 -3.671 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.890 -5.233 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.471 -4.541 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.065 -6.205 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.160 -5.578 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.267 -6.564 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.475 -5.137 8.050 1.00 0.00 H new ATOM 737 N GLN A 51 4.420 -5.446 10.955 1.00 0.00 N ATOM 738 CA GLN A 51 5.295 -5.905 12.027 1.00 0.00 C ATOM 739 C GLN A 51 5.864 -7.285 11.712 1.00 0.00 C ATOM 740 O GLN A 51 5.175 -8.296 11.849 1.00 0.00 O ATOM 741 CB GLN A 51 4.535 -5.944 13.354 1.00 0.00 C ATOM 742 CG GLN A 51 3.953 -4.601 13.761 1.00 0.00 C ATOM 743 CD GLN A 51 3.224 -4.659 15.089 1.00 0.00 C ATOM 744 OE1 GLN A 51 3.633 -5.375 16.004 1.00 0.00 O ATOM 745 NE2 GLN A 51 2.138 -3.903 15.202 1.00 0.00 N ATOM 0 H GLN A 51 3.572 -6.000 10.836 1.00 0.00 H new ATOM 0 HA GLN A 51 6.123 -5.201 12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.728 -6.673 13.280 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.207 -6.292 14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.755 -3.866 13.823 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.265 -4.258 12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.835 -3.325 14.418 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.607 -3.900 16.073 1.00 0.00 H new ATOM 959 N LYS A 65 8.829 -1.961 8.160 1.00 0.00 N ATOM 960 CA LYS A 65 8.403 -1.872 6.768 1.00 0.00 C ATOM 961 C LYS A 65 7.025 -1.227 6.662 1.00 0.00 C ATOM 962 O LYS A 65 6.085 -1.631 7.346 1.00 0.00 O ATOM 963 CB LYS A 65 8.378 -3.263 6.131 1.00 0.00 C ATOM 964 CG LYS A 65 8.254 -3.236 4.617 1.00 0.00 C ATOM 965 CD LYS A 65 7.715 -4.550 4.078 1.00 0.00 C ATOM 966 CE LYS A 65 8.769 -5.646 4.124 1.00 0.00 C ATOM 967 NZ LYS A 65 9.899 -5.367 3.195 1.00 0.00 N ATOM 0 HA LYS A 65 9.119 -1.248 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.290 -3.795 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.543 -3.828 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.593 -2.421 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.229 -3.033 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.846 -4.855 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.377 -4.412 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.150 -5.741 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.312 -6.601 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.420 -6.247 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.528 -4.987 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.540 -4.671 3.627 1.00 0.00 H new ATOM 981 N VAL A 66 6.911 -0.224 5.797 1.00 0.00 N ATOM 982 CA VAL A 66 5.647 0.475 5.599 1.00 0.00 C ATOM 983 C VAL A 66 5.347 0.659 4.116 1.00 0.00 C ATOM 984 O VAL A 66 6.197 1.119 3.353 1.00 0.00 O ATOM 985 CB VAL A 66 5.654 1.854 6.285 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.579 2.811 5.549 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.243 2.417 6.363 1.00 0.00 C ATOM 0 H VAL A 66 7.679 0.123 5.222 1.00 0.00 H new ATOM 0 HA VAL A 66 4.870 -0.143 6.050 1.00 0.00 H new ATOM 0 HB VAL A 66 6.029 1.734 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.571 3.780 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.593 2.410 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.237 2.929 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.267 3.392 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.838 2.524 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.612 1.739 6.938 1.00 0.00 H new ATOM 997 N ILE A 67 4.134 0.296 3.713 1.00 0.00 N ATOM 998 CA ILE A 67 3.722 0.423 2.321 1.00 0.00 C ATOM 999 C ILE A 67 2.590 1.434 2.172 1.00 0.00 C ATOM 1000 O ILE A 67 1.433 1.135 2.470 1.00 0.00 O ATOM 1001 CB ILE A 67 3.265 -0.930 1.744 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.358 -1.984 1.931 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.908 -0.785 0.272 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.823 -3.393 2.063 1.00 0.00 C ATOM 0 H ILE A 67 3.419 -0.088 4.331 1.00 0.00 H new ATOM 0 HA ILE A 67 4.592 0.771 1.765 1.00 0.00 H new ATOM 0 HB ILE A 67 2.376 -1.256 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.041 -1.942 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.939 -1.740 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.587 -1.750 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.100 -0.062 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.781 -0.440 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.654 -4.087 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.163 -3.452 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.267 -3.657 1.163 1.00 0.00 H new ATOM 1016 N ARG A 68 2.932 2.632 1.709 1.00 0.00 N ATOM 1017 CA ARG A 68 1.944 3.688 1.520 1.00 0.00 C ATOM 1018 C ARG A 68 0.879 3.262 0.514 1.00 0.00 C ATOM 1019 O ARG A 68 1.192 2.710 -0.541 1.00 0.00 O ATOM 1020 CB ARG A 68 2.625 4.973 1.045 1.00 0.00 C ATOM 1021 CG ARG A 68 3.468 4.789 -0.206 1.00 0.00 C ATOM 1022 CD ARG A 68 4.490 5.905 -0.359 1.00 0.00 C ATOM 1023 NE ARG A 68 5.385 5.989 0.792 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.200 7.013 1.016 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.233 8.036 0.172 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.985 7.017 2.086 1.00 0.00 N ATOM 0 H ARG A 68 3.885 2.896 1.458 1.00 0.00 H new ATOM 0 HA ARG A 68 1.460 3.874 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.863 5.728 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.257 5.356 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.981 3.828 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.820 4.765 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.076 5.738 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.972 6.856 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 68 5.384 5.219 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.631 8.037 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.860 8.821 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.963 6.233 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.611 7.804 2.257 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.380 3.523 0.848 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.493 3.167 -0.026 1.00 0.00 C ATOM 1042 C LEU A 69 -1.377 3.875 -1.372 1.00 0.00 C ATOM 1043 O LEU A 69 -2.025 3.490 -2.345 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.823 3.525 0.639 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.150 2.778 1.932 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.382 3.373 2.596 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.355 1.296 1.655 1.00 0.00 C ATOM 0 H LEU A 69 -0.656 3.980 1.717 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.458 2.091 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.824 4.594 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.625 3.341 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.307 2.887 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.599 2.828 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.198 4.421 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.233 3.296 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.587 0.780 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.180 1.168 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.445 0.877 1.225 1.00 0.00 H new ATOM 1059 N SER A 70 -0.545 4.910 -1.420 1.00 0.00 N ATOM 1060 CA SER A 70 -0.345 5.674 -2.646 1.00 0.00 C ATOM 1061 C SER A 70 0.429 4.855 -3.675 1.00 0.00 C ATOM 1062 O SER A 70 0.179 4.951 -4.877 1.00 0.00 O ATOM 1063 CB SER A 70 0.403 6.974 -2.346 1.00 0.00 C ATOM 1064 OG SER A 70 1.640 6.715 -1.706 1.00 0.00 O ATOM 0 H SER A 70 0.002 5.239 -0.624 1.00 0.00 H new ATOM 0 HA SER A 70 -1.325 5.914 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.577 7.519 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.212 7.613 -1.711 1.00 0.00 H new ATOM 0 HG SER A 70 2.099 7.562 -1.527 1.00 0.00 H new ATOM 1070 N ASP A 71 1.370 4.050 -3.195 1.00 0.00 N ATOM 1071 CA ASP A 71 2.181 3.212 -4.071 1.00 0.00 C ATOM 1072 C ASP A 71 1.338 2.107 -4.699 1.00 0.00 C ATOM 1073 O ASP A 71 1.703 1.545 -5.733 1.00 0.00 O ATOM 1074 CB ASP A 71 3.347 2.602 -3.293 1.00 0.00 C ATOM 1075 CG ASP A 71 4.532 2.281 -4.183 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.836 3.092 -5.082 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.155 1.217 -3.981 1.00 0.00 O ATOM 0 H ASP A 71 1.590 3.960 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 71 2.577 3.840 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.660 3.294 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.012 1.691 -2.797 1.00 0.00 H new ATOM 1082 N CYS A 72 0.210 1.799 -4.068 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.684 0.759 -4.564 1.00 0.00 C ATOM 1084 C CYS A 72 -1.261 1.141 -5.924 1.00 0.00 C ATOM 1085 O CYS A 72 -2.273 1.837 -6.007 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.817 0.514 -3.567 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.295 -0.309 -2.044 1.00 0.00 S ATOM 0 H CYS A 72 -0.107 2.255 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.106 -0.158 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.275 1.470 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.586 -0.090 -4.049 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.322 -0.470 -1.264 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.609 0.682 -6.986 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.056 0.976 -8.344 1.00 0.00 C ATOM 1095 C LEU A 73 -2.502 0.535 -8.549 1.00 0.00 C ATOM 1096 O LEU A 73 -3.288 1.230 -9.193 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.150 0.282 -9.362 1.00 0.00 C ATOM 1098 CG LEU A 73 1.334 0.643 -9.295 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.177 -0.442 -9.948 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.586 1.988 -9.960 1.00 0.00 C ATOM 0 H LEU A 73 0.231 0.105 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.000 2.054 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.248 -0.796 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.515 0.515 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 73 1.623 0.718 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.230 -0.168 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.019 -1.387 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.886 -0.549 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.648 2.229 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.280 1.940 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.011 2.760 -9.449 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.846 -0.622 -7.994 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.198 -1.155 -8.115 1.00 0.00 C ATOM 1114 C ARG A 74 -4.394 -2.354 -7.192 1.00 0.00 C ATOM 1115 O ARG A 74 -3.430 -3.003 -6.785 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.481 -1.561 -9.563 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.948 -1.462 -9.947 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.292 -0.082 -10.484 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.642 -0.030 -11.037 1.00 0.00 N ATOM 1120 CZ ARG A 74 -8.741 0.007 -10.291 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.649 -0.002 -8.968 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.935 0.054 -10.868 1.00 0.00 N ATOM 0 H ARG A 74 -2.208 -1.208 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.898 -0.373 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.896 -0.928 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.142 -2.585 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.179 -2.215 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.568 -1.680 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.200 0.652 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.574 0.196 -11.255 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.747 -0.022 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.733 -0.037 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.494 0.026 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.010 0.062 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.778 0.082 -10.294 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.650 -2.642 -6.864 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.973 -3.763 -5.989 1.00 0.00 C ATOM 1138 C VAL A 75 -7.247 -4.466 -6.444 1.00 0.00 C ATOM 1139 O VAL A 75 -7.968 -3.968 -7.309 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.147 -3.304 -4.529 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.972 -2.440 -4.097 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.461 -2.555 -4.360 1.00 0.00 C ATOM 0 H VAL A 75 -6.460 -2.115 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.137 -4.460 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.173 -4.186 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.113 -2.125 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.049 -3.014 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.911 -1.561 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.568 -2.238 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.467 -1.680 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.290 -3.210 -4.626 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.519 -5.626 -5.856 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.708 -6.396 -6.199 1.00 0.00 C ATOM 1154 C ALA A 76 -8.976 -7.483 -5.163 1.00 0.00 C ATOM 1155 O ALA A 76 -8.169 -7.705 -4.261 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.558 -7.010 -7.583 1.00 0.00 C ATOM 0 H ALA A 76 -6.932 -6.053 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.561 -5.717 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.453 -7.582 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.422 -6.218 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.691 -7.670 -7.596 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.115 -8.155 -5.298 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.489 -9.217 -4.372 1.00 0.00 C ATOM 1164 C GLU A 77 -10.238 -10.590 -4.988 1.00 0.00 C ATOM 1165 O GLU A 77 -10.674 -10.871 -6.103 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.962 -9.085 -3.977 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.296 -7.762 -3.309 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.757 -7.383 -3.464 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.610 -8.033 -2.824 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.046 -6.436 -4.225 1.00 0.00 O ATOM 0 H GLU A 77 -10.794 -7.983 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.871 -9.120 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.580 -9.199 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.223 -9.900 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.051 -7.822 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.673 -6.976 -3.736 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.530 -11.442 -4.252 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.221 -12.785 -4.725 1.00 0.00 C ATOM 1179 C ALA A 78 -9.971 -13.838 -3.916 1.00 0.00 C ATOM 1180 O ALA A 78 -9.652 -14.086 -2.754 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.722 -13.036 -4.659 1.00 0.00 C ATOM 0 H ALA A 78 -9.160 -11.225 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.546 -12.862 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.506 -14.043 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.204 -12.310 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.381 -12.935 -3.629 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.860 -20.700 5.122 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.580 -19.723 5.930 1.00 0.00 C ATOM 1288 C ASP A 87 -11.873 -18.372 5.908 1.00 0.00 C ATOM 1289 O ASP A 87 -11.756 -17.702 6.935 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.713 -20.219 7.371 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.452 -21.539 7.463 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.480 -21.694 6.771 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.002 -22.419 8.227 1.00 0.00 O ATOM 0 HA ASP A 87 -13.575 -19.599 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.720 -20.331 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.239 -19.470 7.963 1.00 0.00 H new ATOM 1298 N THR A 88 -11.401 -17.976 4.730 1.00 0.00 N ATOM 1299 CA THR A 88 -10.702 -16.706 4.573 1.00 0.00 C ATOM 1300 C THR A 88 -10.918 -16.129 3.179 1.00 0.00 C ATOM 1301 O THR A 88 -11.599 -16.728 2.347 1.00 0.00 O ATOM 1302 CB THR A 88 -9.191 -16.862 4.824 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.663 -17.910 4.004 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.914 -17.168 6.288 1.00 0.00 C ATOM 0 H THR A 88 -11.490 -18.517 3.870 1.00 0.00 H new ATOM 0 HA THR A 88 -11.117 -16.023 5.314 1.00 0.00 H new ATOM 0 HB THR A 88 -8.704 -15.921 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.701 -18.001 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.840 -17.274 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.290 -16.354 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.413 -18.096 6.567 1.00 0.00 H new ATOM 1312 N SER A 89 -10.333 -14.962 2.930 1.00 0.00 N ATOM 1313 CA SER A 89 -10.463 -14.301 1.637 1.00 0.00 C ATOM 1314 C SER A 89 -9.222 -13.471 1.323 1.00 0.00 C ATOM 1315 O SER A 89 -9.000 -12.417 1.918 1.00 0.00 O ATOM 1316 CB SER A 89 -11.706 -13.409 1.619 1.00 0.00 C ATOM 1317 OG SER A 89 -12.891 -14.185 1.578 1.00 0.00 O ATOM 0 H SER A 89 -9.764 -14.454 3.607 1.00 0.00 H new ATOM 0 HA SER A 89 -10.566 -15.071 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.714 -12.774 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.670 -12.748 0.753 1.00 0.00 H new ATOM 0 HG SER A 89 -12.664 -15.134 1.669 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.417 -13.954 0.383 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.199 -13.257 -0.013 1.00 0.00 C ATOM 1325 C ALA A 90 -7.510 -12.107 -0.965 1.00 0.00 C ATOM 1326 O ALA A 90 -8.514 -12.132 -1.677 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.220 -14.228 -0.656 1.00 0.00 C ATOM 0 H ALA A 90 -8.586 -14.826 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.741 -12.838 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.315 -13.694 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.965 -15.013 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.677 -14.674 -1.539 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.643 -11.100 -0.972 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.826 -9.940 -1.836 1.00 0.00 C ATOM 1335 C PHE A 91 -5.561 -9.657 -2.642 1.00 0.00 C ATOM 1336 O PHE A 91 -4.508 -10.246 -2.394 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.199 -8.712 -1.004 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.125 -8.290 -0.043 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.998 -8.909 1.190 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.242 -7.274 -0.372 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.011 -8.522 2.077 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.253 -6.883 0.510 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.136 -7.509 1.736 1.00 0.00 C ATOM 0 H PHE A 91 -5.807 -11.064 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.637 -10.160 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.421 -7.882 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.111 -8.924 -0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.678 -9.703 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.328 -6.782 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.924 -9.011 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.572 -6.089 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.362 -7.207 2.426 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.673 -8.752 -3.609 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.540 -8.391 -4.453 1.00 0.00 C ATOM 1355 C PHE A 92 -3.949 -7.051 -4.026 1.00 0.00 C ATOM 1356 O PHE A 92 -4.617 -6.242 -3.381 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.969 -8.328 -5.920 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.951 -9.663 -6.608 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.750 -10.263 -6.954 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.133 -10.319 -6.908 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.730 -11.491 -7.587 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.120 -11.548 -7.542 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.916 -12.135 -7.881 1.00 0.00 C ATOM 0 H PHE A 92 -6.537 -8.255 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.775 -9.159 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.975 -7.912 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.309 -7.644 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.819 -9.765 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.077 -9.865 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.788 -11.947 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.049 -12.048 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.902 -13.095 -8.375 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.692 -6.823 -4.390 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.008 -5.581 -4.045 1.00 0.00 C ATOM 1375 C LEU A 93 -0.828 -5.332 -4.978 1.00 0.00 C ATOM 1376 O LEU A 93 0.211 -5.982 -4.866 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.526 -5.627 -2.594 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.290 -4.274 -1.922 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.651 -4.461 -0.555 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.421 -3.386 -2.802 1.00 0.00 C ATOM 0 H LEU A 93 -2.125 -7.482 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.717 -4.761 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.259 -6.179 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.596 -6.195 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.254 -3.785 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.491 -3.487 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.309 -5.059 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.306 -4.971 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.263 -2.427 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.541 -3.870 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.918 -3.224 -3.759 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.995 -4.385 -5.896 1.00 0.00 N ATOM 1393 CA GLU A 94 0.058 -4.049 -6.847 1.00 0.00 C ATOM 1394 C GLU A 94 0.684 -2.698 -6.512 1.00 0.00 C ATOM 1395 O GLU A 94 -0.020 -1.710 -6.300 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.499 -4.026 -8.272 1.00 0.00 C ATOM 1397 CG GLU A 94 0.539 -4.339 -9.336 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.043 -4.339 -10.737 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.082 -4.997 -10.948 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.542 -3.679 -11.621 1.00 0.00 O ATOM 0 H GLU A 94 -1.849 -3.837 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 94 0.831 -4.815 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.313 -4.747 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.926 -3.043 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.343 -3.605 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.982 -5.314 -9.131 1.00 0.00 H new ATOM 1407 N THR A 95 2.012 -2.663 -6.465 1.00 0.00 N ATOM 1408 CA THR A 95 2.733 -1.435 -6.154 1.00 0.00 C ATOM 1409 C THR A 95 3.889 -1.216 -7.123 1.00 0.00 C ATOM 1410 O THR A 95 4.345 -2.150 -7.784 1.00 0.00 O ATOM 1411 CB THR A 95 3.282 -1.455 -4.715 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.351 -2.401 -4.611 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.185 -1.810 -3.723 1.00 0.00 C ATOM 0 H THR A 95 2.610 -3.471 -6.638 1.00 0.00 H new ATOM 0 HA THR A 95 2.020 -0.617 -6.252 1.00 0.00 H new ATOM 0 HB THR A 95 3.656 -0.459 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.131 -3.201 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.596 -1.818 -2.713 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.386 -1.071 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.785 -2.796 -3.960 1.00 0.00 H new ATOM 1421 N LYS A 96 4.361 0.023 -7.204 1.00 0.00 N ATOM 1422 CA LYS A 96 5.466 0.366 -8.091 1.00 0.00 C ATOM 1423 C LYS A 96 6.612 -0.631 -7.943 1.00 0.00 C ATOM 1424 O LYS A 96 7.238 -1.021 -8.928 1.00 0.00 O ATOM 1425 CB LYS A 96 5.967 1.781 -7.793 1.00 0.00 C ATOM 1426 CG LYS A 96 4.989 2.870 -8.201 1.00 0.00 C ATOM 1427 CD LYS A 96 5.708 4.164 -8.545 1.00 0.00 C ATOM 1428 CE LYS A 96 6.078 4.221 -10.019 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.906 4.566 -10.872 1.00 0.00 N ATOM 0 H LYS A 96 3.995 0.808 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 96 5.101 0.325 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.171 1.868 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.912 1.940 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.408 2.536 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.283 3.049 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.071 5.013 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.609 4.253 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.865 4.960 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.482 3.258 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.199 4.595 -11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.164 3.847 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.536 5.497 -10.593 1.00 0.00 H new ATOM 1443 N GLU A 97 6.878 -1.040 -6.707 1.00 0.00 N ATOM 1444 CA GLU A 97 7.948 -1.992 -6.432 1.00 0.00 C ATOM 1445 C GLU A 97 7.660 -3.339 -7.089 1.00 0.00 C ATOM 1446 O GLU A 97 8.410 -3.794 -7.953 1.00 0.00 O ATOM 1447 CB GLU A 97 8.123 -2.176 -4.923 1.00 0.00 C ATOM 1448 CG GLU A 97 9.280 -3.087 -4.550 1.00 0.00 C ATOM 1449 CD GLU A 97 9.766 -2.863 -3.131 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.242 -1.747 -2.836 1.00 0.00 O ATOM 1451 OE2 GLU A 97 9.669 -3.805 -2.317 1.00 0.00 O ATOM 0 H GLU A 97 6.368 -0.728 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 97 8.871 -1.592 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.277 -1.200 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.202 -2.584 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.971 -4.126 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.105 -2.922 -5.243 1.00 0.00 H new ATOM 1458 N ARG A 98 6.568 -3.972 -6.672 1.00 0.00 N ATOM 1459 CA ARG A 98 6.181 -5.268 -7.218 1.00 0.00 C ATOM 1460 C ARG A 98 4.796 -5.675 -6.723 1.00 0.00 C ATOM 1461 O ARG A 98 4.139 -4.925 -5.999 1.00 0.00 O ATOM 1462 CB ARG A 98 7.207 -6.335 -6.832 1.00 0.00 C ATOM 1463 CG ARG A 98 7.111 -6.775 -5.380 1.00 0.00 C ATOM 1464 CD ARG A 98 7.839 -8.089 -5.147 1.00 0.00 C ATOM 1465 NE ARG A 98 9.286 -7.909 -5.079 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.131 -8.871 -4.723 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.674 -10.074 -4.405 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.435 -8.629 -4.686 1.00 0.00 N ATOM 0 H ARG A 98 5.936 -3.609 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 98 6.148 -5.182 -8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.074 -7.204 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.209 -5.949 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.535 -6.004 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.063 -6.884 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.486 -8.539 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.598 -8.784 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 98 9.670 -6.995 -5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.672 -10.263 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.324 -10.811 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.789 -7.704 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.083 -9.368 -4.413 1.00 0.00 H new ATOM 1482 N LEU A 99 4.359 -6.865 -7.117 1.00 0.00 N ATOM 1483 CA LEU A 99 3.052 -7.372 -6.714 1.00 0.00 C ATOM 1484 C LEU A 99 3.150 -8.150 -5.405 1.00 0.00 C ATOM 1485 O LEU A 99 4.077 -8.934 -5.205 1.00 0.00 O ATOM 1486 CB LEU A 99 2.470 -8.267 -7.810 1.00 0.00 C ATOM 1487 CG LEU A 99 1.040 -8.761 -7.584 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.058 -7.601 -7.653 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.678 -9.830 -8.605 1.00 0.00 C ATOM 0 H LEU A 99 4.890 -7.497 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 99 2.390 -6.519 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.499 -7.720 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.119 -9.135 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 99 0.981 -9.202 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.954 -7.971 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.305 -6.869 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.119 -7.131 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.343 -10.170 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.754 -9.414 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.363 -10.672 -8.508 1.00 0.00 H new ATOM 1501 N TYR A 100 2.186 -7.929 -4.519 1.00 0.00 N ATOM 1502 CA TYR A 100 2.163 -8.609 -3.229 1.00 0.00 C ATOM 1503 C TYR A 100 0.826 -9.308 -3.005 1.00 0.00 C ATOM 1504 O TYR A 100 -0.233 -8.680 -3.051 1.00 0.00 O ATOM 1505 CB TYR A 100 2.425 -7.612 -2.099 1.00 0.00 C ATOM 1506 CG TYR A 100 3.803 -6.992 -2.146 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.924 -7.709 -1.746 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.984 -5.688 -2.592 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.184 -7.145 -1.787 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.242 -5.117 -2.637 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.338 -5.849 -2.233 1.00 0.00 C ATOM 1512 OH TYR A 100 7.593 -5.285 -2.277 1.00 0.00 O ATOM 0 H TYR A 100 1.410 -7.284 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 100 2.951 -9.363 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.678 -6.820 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.296 -8.118 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.808 -8.725 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.127 -5.111 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.045 -7.716 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.366 -4.103 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 100 7.512 -4.309 -2.301 1.00 0.00 H new ATOM 1522 N LEU A 101 0.882 -10.613 -2.762 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.324 -11.401 -2.530 1.00 0.00 C ATOM 1524 C LEU A 101 -0.487 -11.722 -1.048 1.00 0.00 C ATOM 1525 O LEU A 101 0.120 -12.663 -0.535 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.275 -12.696 -3.342 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.497 -13.608 -3.225 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.702 -12.975 -3.903 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.202 -14.975 -3.826 1.00 0.00 C ATOM 0 H LEU A 101 1.749 -11.148 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.182 -10.811 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.138 -12.438 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.606 -13.261 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.728 -13.740 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.562 -13.638 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.927 -12.020 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.482 -12.812 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.083 -15.611 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.945 -14.862 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.367 -15.433 -3.296 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.314 -10.937 -0.365 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.560 -11.139 1.058 1.00 0.00 C ATOM 1543 C LEU A 102 -2.924 -11.780 1.290 1.00 0.00 C ATOM 1544 O LEU A 102 -3.812 -11.697 0.441 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.476 -9.807 1.805 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.091 -9.163 1.876 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.140 -8.257 0.677 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.069 -8.385 3.174 1.00 0.00 C ATOM 0 H LEU A 102 -1.825 -10.155 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.793 -11.812 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.158 -9.103 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.836 -9.961 2.822 1.00 0.00 H new ATOM 0 HG LEU A 102 0.658 -9.955 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.131 -7.808 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.069 -8.842 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.615 -7.471 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.060 -7.933 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.688 -7.602 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.051 -9.061 4.021 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.085 -12.417 2.445 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.343 -13.068 2.790 1.00 0.00 C ATOM 1562 C ALA A 103 -5.023 -12.364 3.960 1.00 0.00 C ATOM 1563 O ALA A 103 -4.359 -11.890 4.881 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.106 -14.534 3.118 1.00 0.00 C ATOM 0 H ALA A 103 -2.360 -12.496 3.158 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.006 -13.003 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.054 -15.007 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.672 -15.035 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.422 -14.612 3.963 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.349 -12.300 3.916 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.118 -11.655 4.973 1.00 0.00 C ATOM 1572 C ALA A 104 -8.378 -12.451 5.299 1.00 0.00 C ATOM 1573 O ALA A 104 -8.975 -13.095 4.436 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.479 -10.233 4.572 1.00 0.00 C ATOM 0 H ALA A 104 -6.913 -12.687 3.160 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.499 -11.621 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.053 -9.764 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.567 -9.662 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.076 -10.252 3.660 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.793 -12.407 6.573 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.986 -13.119 7.042 1.00 0.00 C ATOM 1582 C PRO A 105 -11.275 -12.510 6.499 1.00 0.00 C ATOM 1583 O PRO A 105 -11.556 -11.332 6.716 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.920 -12.960 8.563 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.128 -11.717 8.779 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.130 -11.660 7.655 1.00 0.00 C ATOM 0 HA PRO A 105 -9.998 -14.157 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.917 -12.875 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.442 -13.821 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.772 -10.838 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.626 -11.738 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.914 -10.633 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.181 -12.117 7.936 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.055 -13.322 5.792 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.315 -12.864 5.220 1.00 0.00 C ATOM 1596 C ALA A 106 -13.991 -11.843 6.129 1.00 0.00 C ATOM 1597 O ALA A 106 -14.671 -10.932 5.657 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.240 -14.045 4.968 1.00 0.00 C ATOM 0 H ALA A 106 -11.836 -14.300 5.602 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.099 -12.377 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.177 -13.688 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.765 -14.738 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.442 -14.556 5.909 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.801 -12.003 7.435 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.393 -11.095 8.409 1.00 0.00 C ATOM 1606 C ALA A 107 -13.914 -9.664 8.188 1.00 0.00 C ATOM 1607 O ALA A 107 -14.717 -8.734 8.131 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.063 -11.551 9.823 1.00 0.00 C ATOM 0 H ALA A 107 -13.242 -12.753 7.842 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.475 -11.113 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.511 -10.864 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.460 -12.553 9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.982 -11.563 9.958 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.601 -9.497 8.064 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.016 -8.179 7.850 1.00 0.00 C ATOM 1616 C GLU A 108 -11.929 -7.857 6.361 1.00 0.00 C ATOM 1617 O GLU A 108 -12.224 -6.739 5.938 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.624 -8.105 8.481 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.593 -8.534 9.939 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.892 -7.392 10.890 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.044 -6.483 11.010 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -11.974 -7.406 11.513 1.00 0.00 O ATOM 0 H GLU A 108 -11.923 -10.258 8.108 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.662 -7.442 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.942 -8.736 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.253 -7.083 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.320 -9.331 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.612 -8.948 10.171 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.520 -8.845 5.571 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.392 -8.668 4.130 1.00 0.00 C ATOM 1631 C ARG A 109 -12.471 -7.728 3.599 1.00 0.00 C ATOM 1632 O ARG A 109 -12.171 -6.670 3.048 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.482 -10.019 3.418 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.822 -10.031 2.049 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.623 -9.226 1.038 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.959 -9.778 0.832 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.964 -9.093 0.297 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.784 -7.836 -0.085 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.151 -9.665 0.143 1.00 0.00 N ATOM 0 H ARG A 109 -11.272 -9.776 5.905 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.417 -8.224 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.017 -10.781 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.531 -10.293 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.815 -9.622 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.723 -11.059 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.706 -8.195 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.089 -9.204 0.088 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.130 -10.743 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.873 -7.393 0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.557 -7.312 -0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.293 -10.632 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.922 -9.138 -0.268 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.729 -8.124 3.770 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.834 -7.307 3.303 1.00 0.00 C ATOM 1655 C GLY A 110 -14.597 -5.827 3.530 1.00 0.00 C ATOM 1656 O GLY A 110 -14.874 -5.006 2.656 1.00 0.00 O ATOM 0 H GLY A 110 -14.002 -8.996 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.991 -7.488 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.747 -7.609 3.816 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.084 -5.485 4.707 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.810 -4.094 5.047 1.00 0.00 C ATOM 1662 C ASP A 111 -12.461 -3.653 4.489 1.00 0.00 C ATOM 1663 O ASP A 111 -12.375 -2.679 3.742 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.836 -3.903 6.564 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.801 -2.441 6.964 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.866 -1.789 6.926 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.709 -1.948 7.316 1.00 0.00 O ATOM 0 H ASP A 111 -13.850 -6.153 5.442 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.587 -3.476 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.735 -4.366 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.984 -4.418 7.007 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.410 -4.377 4.857 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.064 -4.060 4.394 1.00 0.00 C ATOM 1674 C TRP A 112 -10.091 -3.526 2.966 1.00 0.00 C ATOM 1675 O TRP A 112 -9.918 -2.328 2.737 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.170 -5.299 4.471 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.530 -5.487 5.813 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.731 -6.525 6.678 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.588 -4.613 6.443 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.970 -6.348 7.808 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.259 -5.183 7.688 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -6.988 -3.406 6.076 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.359 -4.585 8.566 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.094 -2.813 6.948 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.786 -3.404 8.181 1.00 0.00 C ATOM 0 H TRP A 112 -11.464 -5.187 5.474 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.657 -3.286 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.763 -6.182 4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.391 -5.224 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.391 -7.361 6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.939 -6.981 8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.219 -2.944 5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.122 -5.038 9.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.625 -1.879 6.675 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.082 -2.917 8.840 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.310 -4.421 2.008 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.361 -4.038 0.602 1.00 0.00 C ATOM 1698 C VAL A 113 -11.073 -2.702 0.421 1.00 0.00 C ATOM 1699 O VAL A 113 -10.626 -1.849 -0.345 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.077 -5.107 -0.245 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.242 -4.630 -1.680 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.315 -6.423 -0.197 1.00 0.00 C ATOM 0 H VAL A 113 -10.455 -5.416 2.180 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.330 -3.946 0.262 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.070 -5.272 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.750 -5.399 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.833 -3.714 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.261 -4.435 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.835 -7.167 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.309 -6.276 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.254 -6.771 0.834 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.183 -2.528 1.132 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.957 -1.296 1.049 1.00 0.00 C ATOM 1714 C GLN A 114 -12.130 -0.102 1.516 1.00 0.00 C ATOM 1715 O GLN A 114 -11.811 0.790 0.730 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.229 -1.410 1.890 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.303 -0.405 1.509 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.678 -0.800 2.011 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.022 -1.982 2.048 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.473 0.189 2.402 1.00 0.00 N ATOM 0 H GLN A 114 -12.566 -3.225 1.771 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.233 -1.139 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.633 -2.417 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -13.973 -1.275 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.040 0.572 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.332 -0.304 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.147 1.154 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.409 -0.017 2.750 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.788 -0.091 2.800 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.997 0.992 3.371 1.00 0.00 C ATOM 1731 C ALA A 115 -9.761 1.274 2.525 1.00 0.00 C ATOM 1732 O ALA A 115 -9.601 2.372 1.991 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.596 0.656 4.800 1.00 0.00 C ATOM 0 H ALA A 115 -12.046 -0.820 3.465 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.612 1.892 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.006 1.473 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.491 0.512 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.003 -0.259 4.806 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.890 0.278 2.408 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.668 0.421 1.625 1.00 0.00 C ATOM 1741 C ILE A 116 -7.941 1.129 0.303 1.00 0.00 C ATOM 1742 O ILE A 116 -7.159 1.974 -0.134 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.020 -0.947 1.339 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.692 -1.665 2.649 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.766 -0.773 0.495 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.254 -3.101 2.458 1.00 0.00 C ATOM 0 H ILE A 116 -9.007 -0.636 2.845 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.980 1.022 2.220 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.729 -1.558 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.903 -1.119 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.570 -1.644 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.320 -1.748 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.027 -0.299 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.052 -0.147 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.038 -3.548 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.050 -3.662 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.358 -3.129 1.838 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.056 0.780 -0.329 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.434 1.383 -1.602 1.00 0.00 C ATOM 1760 C CYS A 117 -9.897 2.823 -1.406 1.00 0.00 C ATOM 1761 O CYS A 117 -9.597 3.699 -2.218 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.541 0.565 -2.269 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.806 0.964 -4.012 1.00 0.00 S ATOM 0 H CYS A 117 -9.714 0.083 0.019 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.556 1.388 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.298 -0.494 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.473 0.723 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.734 1.514 -4.499 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.630 3.061 -0.324 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.136 4.395 -0.021 1.00 0.00 C ATOM 1771 C LEU A 118 -9.993 5.398 0.094 1.00 0.00 C ATOM 1772 O LEU A 118 -10.106 6.539 -0.355 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.943 4.373 1.279 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.438 4.086 1.135 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.128 5.214 0.385 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.661 2.757 0.428 1.00 0.00 C ATOM 0 H LEU A 118 -10.887 2.348 0.358 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.786 4.705 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.511 3.621 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.824 5.337 1.773 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.874 4.021 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.191 4.992 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.998 6.148 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.690 5.312 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.731 2.570 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.211 2.793 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.201 1.956 1.006 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.891 4.964 0.696 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.724 5.824 0.868 1.00 0.00 C ATOM 1790 C LEU A 119 -6.799 5.735 -0.341 1.00 0.00 C ATOM 1791 O LEU A 119 -6.503 6.742 -0.984 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.963 5.435 2.137 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.518 5.990 3.449 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.848 5.319 4.638 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.331 7.499 3.512 1.00 0.00 C ATOM 0 H LEU A 119 -8.781 4.023 1.073 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.072 6.853 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.943 4.347 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.930 5.767 2.033 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.586 5.774 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.256 5.727 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.033 4.245 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.774 5.503 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.732 7.876 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.269 7.737 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.858 7.966 2.680 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.347 4.523 -0.646 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.459 4.302 -1.781 1.00 0.00 C ATOM 1809 C ALA A 120 -5.893 5.129 -2.986 1.00 0.00 C ATOM 1810 O ALA A 120 -5.126 5.944 -3.500 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.420 2.824 -2.139 1.00 0.00 C ATOM 0 H ALA A 120 -6.581 3.679 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.457 4.622 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.753 2.673 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.056 2.252 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.423 2.486 -2.401 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.126 4.914 -3.433 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.660 5.639 -4.580 1.00 0.00 C ATOM 1819 C PHE A 121 -8.641 6.719 -4.131 1.00 0.00 C ATOM 1820 O PHE A 121 -9.719 6.871 -4.706 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.353 4.673 -5.543 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.646 3.356 -5.683 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.754 2.388 -4.697 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.872 3.086 -6.800 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.105 1.175 -4.823 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.220 1.874 -6.931 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.336 0.918 -5.941 1.00 0.00 C ATOM 0 H PHE A 121 -7.774 4.244 -3.019 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.828 6.119 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.371 4.495 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.428 5.142 -6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.353 2.584 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.777 3.830 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.199 0.429 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.620 1.675 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.826 -0.029 -6.041 1.00 0.00 H new