USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 837 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 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.018 F(o=-1.1,f=-0.018) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.891 USER MOD Single : A 32 LYS NZ :NH3+ -112:sc= 0.899 (180deg=0.296) USER MOD Single : A 42 SER OG : rot -140:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.17) USER MOD Single : A 71 GLN : amide:sc= -1.88! K(o=-1.9!,f=-3.2) USER MOD Single : A 79 GLN : amide:sc= -0.118 K(o=-0.12,f=-5.7!) USER MOD Single : A 80 SER OG : rot 98:sc= 0.25 USER MOD Single : A 88 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.42) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 111 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.011) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 16.550 2.962 4.704 1.00 0.00 N ATOM 126 CA LEU A 10 15.189 2.850 5.207 1.00 0.00 C ATOM 127 C LEU A 10 14.377 1.914 4.322 1.00 0.00 C ATOM 128 O LEU A 10 13.647 1.058 4.814 1.00 0.00 O ATOM 129 CB LEU A 10 14.523 4.229 5.258 1.00 0.00 C ATOM 130 CG LEU A 10 13.069 4.242 5.741 1.00 0.00 C ATOM 131 CD1 LEU A 10 12.970 3.750 7.177 1.00 0.00 C ATOM 132 CD2 LEU A 10 12.487 5.639 5.612 1.00 0.00 C ATOM 0 HA LEU A 10 15.226 2.441 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 10 15.111 4.873 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 14.560 4.668 4.261 1.00 0.00 H new ATOM 0 HG LEU A 10 12.491 3.564 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.928 3.769 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.351 2.731 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.560 4.398 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.453 5.636 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.070 6.333 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.519 5.952 4.568 1.00 0.00 H new ATOM 144 N TRP A 11 14.532 2.079 3.014 1.00 0.00 N ATOM 145 CA TRP A 11 13.833 1.256 2.038 1.00 0.00 C ATOM 146 C TRP A 11 14.120 -0.225 2.268 1.00 0.00 C ATOM 147 O TRP A 11 13.199 -1.035 2.381 1.00 0.00 O ATOM 148 CB TRP A 11 14.246 1.661 0.621 1.00 0.00 C ATOM 149 CG TRP A 11 13.514 0.917 -0.454 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.005 -0.087 -1.238 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.157 1.119 -0.859 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.034 -0.520 -2.109 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.892 0.205 -1.894 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.138 1.985 -0.446 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.653 0.131 -2.521 1.00 0.00 C ATOM 156 CZ3 TRP A 11 9.910 1.910 -1.071 1.00 0.00 C ATOM 157 CH2 TRP A 11 9.677 0.989 -2.097 1.00 0.00 C ATOM 0 H TRP A 11 15.143 2.784 2.602 1.00 0.00 H new ATOM 0 HA TRP A 11 12.762 1.416 2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 11 14.074 2.730 0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.317 1.494 0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 11 15.008 -0.483 -1.182 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.146 -1.260 -2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.309 2.698 0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.469 -0.579 -3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.116 2.574 -0.763 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.704 0.955 -2.565 1.00 0.00 H new ATOM 168 N GLN A 12 15.398 -0.569 2.362 1.00 0.00 N ATOM 169 CA GLN A 12 15.800 -1.957 2.559 1.00 0.00 C ATOM 170 C GLN A 12 15.324 -2.472 3.918 1.00 0.00 C ATOM 171 O GLN A 12 14.971 -3.644 4.064 1.00 0.00 O ATOM 172 CB GLN A 12 17.319 -2.091 2.443 1.00 0.00 C ATOM 173 CG GLN A 12 17.800 -3.536 2.445 1.00 0.00 C ATOM 174 CD GLN A 12 19.307 -3.660 2.359 1.00 0.00 C ATOM 175 OE1 GLN A 12 19.985 -2.809 1.780 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.840 -4.729 2.926 1.00 0.00 N ATOM 0 H GLN A 12 16.173 0.092 2.305 1.00 0.00 H new ATOM 0 HA GLN A 12 15.334 -2.562 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.650 -1.607 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.788 -1.559 3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.452 -4.027 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.349 -4.064 1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.242 -5.409 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.849 -4.874 2.894 1.00 0.00 H new ATOM 185 N ARG A 13 15.302 -1.589 4.906 1.00 0.00 N ATOM 186 CA ARG A 13 14.838 -1.946 6.236 1.00 0.00 C ATOM 187 C ARG A 13 13.330 -2.208 6.213 1.00 0.00 C ATOM 188 O ARG A 13 12.836 -3.110 6.891 1.00 0.00 O ATOM 189 CB ARG A 13 15.179 -0.837 7.237 1.00 0.00 C ATOM 190 CG ARG A 13 15.072 -1.269 8.693 1.00 0.00 C ATOM 191 CD ARG A 13 15.967 -2.466 8.981 1.00 0.00 C ATOM 192 NE ARG A 13 16.056 -2.758 10.412 1.00 0.00 N ATOM 193 CZ ARG A 13 15.787 -3.948 10.951 1.00 0.00 C ATOM 194 NH1 ARG A 13 15.388 -4.954 10.179 1.00 0.00 N ATOM 195 NH2 ARG A 13 15.926 -4.131 12.259 1.00 0.00 N ATOM 0 H ARG A 13 15.601 -0.619 4.810 1.00 0.00 H new ATOM 0 HA ARG A 13 15.344 -2.858 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.193 -0.487 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.512 0.009 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.351 -0.439 9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.037 -1.522 8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.581 -3.340 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.965 -2.274 8.588 1.00 0.00 H new ATOM 0 HE ARG A 13 16.342 -2.004 11.037 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.287 -4.816 9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.183 -5.864 10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.238 -3.362 12.851 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.720 -5.041 12.671 1.00 0.00 H new ATOM 209 N LEU A 14 12.612 -1.429 5.411 1.00 0.00 N ATOM 210 CA LEU A 14 11.175 -1.624 5.231 1.00 0.00 C ATOM 211 C LEU A 14 10.904 -2.920 4.479 1.00 0.00 C ATOM 212 O LEU A 14 9.889 -3.577 4.699 1.00 0.00 O ATOM 213 CB LEU A 14 10.557 -0.445 4.473 1.00 0.00 C ATOM 214 CG LEU A 14 10.608 0.901 5.201 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.025 2.000 4.325 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.862 0.823 6.525 1.00 0.00 C ATOM 0 H LEU A 14 13.001 -0.655 4.873 1.00 0.00 H new ATOM 0 HA LEU A 14 10.717 -1.683 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.069 -0.341 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.516 -0.681 4.254 1.00 0.00 H new ATOM 0 HG LEU A 14 11.651 1.140 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.068 2.951 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.601 2.074 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.988 1.764 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.910 1.789 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.820 0.561 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.321 0.063 7.157 1.00 0.00 H new ATOM 228 N LEU A 15 11.825 -3.291 3.598 1.00 0.00 N ATOM 229 CA LEU A 15 11.733 -4.558 2.885 1.00 0.00 C ATOM 230 C LEU A 15 11.883 -5.725 3.855 1.00 0.00 C ATOM 231 O LEU A 15 11.395 -6.829 3.603 1.00 0.00 O ATOM 232 CB LEU A 15 12.796 -4.638 1.789 1.00 0.00 C ATOM 233 CG LEU A 15 12.668 -3.586 0.685 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.738 -3.791 -0.374 1.00 0.00 C ATOM 235 CD2 LEU A 15 11.279 -3.626 0.060 1.00 0.00 C ATOM 0 H LEU A 15 12.644 -2.732 3.360 1.00 0.00 H new ATOM 0 HA LEU A 15 10.751 -4.618 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.779 -4.541 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.753 -5.627 1.334 1.00 0.00 H new ATOM 0 HG LEU A 15 12.811 -2.602 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.631 -3.034 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.724 -3.705 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.628 -4.782 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.210 -2.870 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.102 -4.611 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.530 -3.425 0.826 1.00 0.00 H new ATOM 247 N THR A 16 12.571 -5.478 4.966 1.00 0.00 N ATOM 248 CA THR A 16 12.710 -6.473 6.020 1.00 0.00 C ATOM 249 C THR A 16 11.390 -6.612 6.780 1.00 0.00 C ATOM 250 O THR A 16 11.062 -7.678 7.300 1.00 0.00 O ATOM 251 CB THR A 16 13.828 -6.081 7.003 1.00 0.00 C ATOM 252 OG1 THR A 16 14.974 -5.601 6.282 1.00 0.00 O ATOM 253 CG2 THR A 16 14.237 -7.265 7.867 1.00 0.00 C ATOM 0 H THR A 16 13.042 -4.594 5.158 1.00 0.00 H new ATOM 0 HA THR A 16 12.971 -7.425 5.557 1.00 0.00 H new ATOM 0 HB THR A 16 13.444 -5.292 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.679 -5.353 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.028 -6.960 8.552 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.376 -7.613 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.600 -8.072 7.230 1.00 0.00 H new ATOM 261 N ARG A 17 10.640 -5.514 6.822 1.00 0.00 N ATOM 262 CA ARG A 17 9.315 -5.487 7.435 1.00 0.00 C ATOM 263 C ARG A 17 8.325 -6.260 6.563 1.00 0.00 C ATOM 264 O ARG A 17 7.310 -6.766 7.040 1.00 0.00 O ATOM 265 CB ARG A 17 8.863 -4.029 7.587 1.00 0.00 C ATOM 266 CG ARG A 17 7.511 -3.835 8.261 1.00 0.00 C ATOM 267 CD ARG A 17 7.592 -4.035 9.765 1.00 0.00 C ATOM 268 NE ARG A 17 6.393 -3.529 10.439 1.00 0.00 N ATOM 269 CZ ARG A 17 6.400 -2.911 11.619 1.00 0.00 C ATOM 270 NH1 ARG A 17 7.532 -2.784 12.300 1.00 0.00 N ATOM 271 NH2 ARG A 17 5.274 -2.418 12.122 1.00 0.00 N ATOM 0 H ARG A 17 10.933 -4.618 6.432 1.00 0.00 H new ATOM 0 HA ARG A 17 9.353 -5.957 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.617 -3.490 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.827 -3.572 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.140 -2.832 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.792 -4.537 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.715 -5.095 9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.473 -3.524 10.154 1.00 0.00 H new ATOM 0 HE ARG A 17 5.494 -3.659 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.401 -3.160 11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.533 -2.310 13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.400 -2.512 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.283 -1.945 13.026 1.00 0.00 H new ATOM 285 N GLY A 18 8.643 -6.341 5.278 1.00 0.00 N ATOM 286 CA GLY A 18 7.809 -7.054 4.334 1.00 0.00 C ATOM 287 C GLY A 18 7.723 -6.318 3.015 1.00 0.00 C ATOM 288 O GLY A 18 8.741 -5.858 2.496 1.00 0.00 O ATOM 0 H GLY A 18 9.477 -5.918 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.213 -8.053 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.809 -7.179 4.750 1.00 0.00 H new ATOM 292 N TRP A 19 6.510 -6.217 2.474 1.00 0.00 N ATOM 293 CA TRP A 19 6.240 -5.418 1.275 1.00 0.00 C ATOM 294 C TRP A 19 6.855 -6.024 0.013 1.00 0.00 C ATOM 295 O TRP A 19 7.538 -7.052 0.052 1.00 0.00 O ATOM 296 CB TRP A 19 6.740 -3.977 1.451 1.00 0.00 C ATOM 297 CG TRP A 19 5.977 -3.186 2.469 1.00 0.00 C ATOM 298 CD1 TRP A 19 4.971 -3.633 3.275 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.156 -1.801 2.782 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.508 -2.610 4.061 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.221 -1.476 3.781 1.00 0.00 C ATOM 302 CE3 TRP A 19 7.018 -0.802 2.316 1.00 0.00 C ATOM 303 CZ2 TRP A 19 5.121 -0.196 4.317 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.915 0.467 2.849 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.973 0.759 3.841 1.00 0.00 C ATOM 0 H TRP A 19 5.686 -6.685 2.852 1.00 0.00 H new ATOM 0 HA TRP A 19 5.157 -5.415 1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.791 -4.001 1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.683 -3.464 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.594 -4.645 3.291 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.754 -2.682 4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.751 -1.020 1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.395 0.034 5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.572 1.247 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.918 1.761 4.239 1.00 0.00 H new ATOM 316 N GLN A 20 6.579 -5.375 -1.107 1.00 0.00 N ATOM 317 CA GLN A 20 7.094 -5.784 -2.403 1.00 0.00 C ATOM 318 C GLN A 20 7.367 -4.550 -3.253 1.00 0.00 C ATOM 319 O GLN A 20 6.442 -3.817 -3.604 1.00 0.00 O ATOM 320 CB GLN A 20 6.086 -6.699 -3.110 1.00 0.00 C ATOM 321 CG GLN A 20 6.524 -7.145 -4.498 1.00 0.00 C ATOM 322 CD GLN A 20 7.749 -8.041 -4.480 1.00 0.00 C ATOM 323 OE1 GLN A 20 7.901 -8.825 -3.424 1.00 0.00 O flip ATOM 324 NE2 GLN A 20 8.550 -8.032 -5.414 1.00 0.00 N flip ATOM 0 H GLN A 20 5.988 -4.545 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 20 8.023 -6.337 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.916 -7.581 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.132 -6.178 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.702 -7.675 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.735 -6.265 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.398 -7.413 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.366 -8.643 -5.392 1.00 0.00 H new ATOM 333 N PRO A 21 8.641 -4.286 -3.574 1.00 0.00 N ATOM 334 CA PRO A 21 9.011 -3.144 -4.407 1.00 0.00 C ATOM 335 C PRO A 21 8.599 -3.343 -5.862 1.00 0.00 C ATOM 336 O PRO A 21 9.194 -4.148 -6.581 1.00 0.00 O ATOM 337 CB PRO A 21 10.535 -3.081 -4.277 1.00 0.00 C ATOM 338 CG PRO A 21 10.955 -4.466 -3.926 1.00 0.00 C ATOM 339 CD PRO A 21 9.815 -5.071 -3.147 1.00 0.00 C ATOM 0 HA PRO A 21 8.514 -2.227 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.996 -2.754 -5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.835 -2.371 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.164 -5.048 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.869 -4.456 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.692 -6.130 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.979 -4.993 -2.072 1.00 0.00 H new ATOM 347 N VAL A 22 7.568 -2.628 -6.284 1.00 0.00 N ATOM 348 CA VAL A 22 7.083 -2.731 -7.651 1.00 0.00 C ATOM 349 C VAL A 22 7.597 -1.579 -8.501 1.00 0.00 C ATOM 350 O VAL A 22 8.293 -0.689 -8.007 1.00 0.00 O ATOM 351 CB VAL A 22 5.542 -2.778 -7.727 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.021 -4.087 -7.157 1.00 0.00 C ATOM 353 CG2 VAL A 22 4.924 -1.585 -7.005 1.00 0.00 C ATOM 0 H VAL A 22 7.051 -1.971 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 22 7.469 -3.672 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 22 5.250 -2.721 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.933 -4.103 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.429 -4.921 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.327 -4.177 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.838 -1.641 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.223 -1.599 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.269 -0.661 -7.468 1.00 0.00 H new ATOM 363 N GLU A 23 7.237 -1.596 -9.775 1.00 0.00 N ATOM 364 CA GLU A 23 7.768 -0.644 -10.734 1.00 0.00 C ATOM 365 C GLU A 23 6.682 -0.224 -11.711 1.00 0.00 C ATOM 366 O GLU A 23 5.592 -0.789 -11.715 1.00 0.00 O ATOM 367 CB GLU A 23 8.943 -1.263 -11.497 1.00 0.00 C ATOM 368 CG GLU A 23 10.110 -1.663 -10.606 1.00 0.00 C ATOM 369 CD GLU A 23 11.247 -2.283 -11.384 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.221 -3.510 -11.605 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.173 -1.545 -11.781 1.00 0.00 O ATOM 0 H GLU A 23 6.575 -2.264 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 23 8.119 0.236 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.591 -2.143 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.295 -0.551 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.475 -0.784 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.762 -2.370 -9.853 1.00 0.00 H new ATOM 378 N ALA A 24 6.996 0.746 -12.555 1.00 0.00 N ATOM 379 CA ALA A 24 6.028 1.281 -13.499 1.00 0.00 C ATOM 380 C ALA A 24 6.193 0.650 -14.874 1.00 0.00 C ATOM 381 O ALA A 24 5.243 0.574 -15.654 1.00 0.00 O ATOM 382 CB ALA A 24 6.172 2.785 -13.593 1.00 0.00 C ATOM 0 H ALA A 24 7.918 1.180 -12.605 1.00 0.00 H new ATOM 0 HA ALA A 24 5.029 1.039 -13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.443 3.177 -14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.999 3.229 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.178 3.034 -13.932 1.00 0.00 H new ATOM 388 N SER A 25 7.404 0.198 -15.167 1.00 0.00 N ATOM 389 CA SER A 25 7.701 -0.421 -16.451 1.00 0.00 C ATOM 390 C SER A 25 7.051 -1.799 -16.565 1.00 0.00 C ATOM 391 O SER A 25 6.808 -2.290 -17.664 1.00 0.00 O ATOM 392 CB SER A 25 9.213 -0.544 -16.629 1.00 0.00 C ATOM 393 OG SER A 25 9.857 0.695 -16.385 1.00 0.00 O ATOM 0 H SER A 25 8.199 0.249 -14.530 1.00 0.00 H new ATOM 0 HA SER A 25 7.291 0.213 -17.237 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.602 -1.300 -15.948 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.437 -0.881 -17.641 1.00 0.00 H new ATOM 0 HG SER A 25 10.824 0.590 -16.504 1.00 0.00 H new ATOM 399 N THR A 26 6.750 -2.408 -15.428 1.00 0.00 N ATOM 400 CA THR A 26 6.214 -3.760 -15.414 1.00 0.00 C ATOM 401 C THR A 26 5.039 -3.872 -14.443 1.00 0.00 C ATOM 402 O THR A 26 4.675 -4.971 -14.015 1.00 0.00 O ATOM 403 CB THR A 26 7.323 -4.773 -15.035 1.00 0.00 C ATOM 404 OG1 THR A 26 6.833 -6.117 -15.113 1.00 0.00 O ATOM 405 CG2 THR A 26 7.857 -4.505 -13.631 1.00 0.00 C ATOM 0 H THR A 26 6.867 -1.989 -14.506 1.00 0.00 H new ATOM 0 HA THR A 26 5.851 -3.993 -16.415 1.00 0.00 H new ATOM 0 HB THR A 26 8.137 -4.648 -15.749 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.928 -6.157 -14.740 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.634 -5.231 -13.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.275 -3.499 -13.586 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.044 -4.593 -12.910 1.00 0.00 H new ATOM 413 N VAL A 27 4.427 -2.735 -14.122 1.00 0.00 N ATOM 414 CA VAL A 27 3.334 -2.707 -13.154 1.00 0.00 C ATOM 415 C VAL A 27 2.163 -3.575 -13.617 1.00 0.00 C ATOM 416 O VAL A 27 1.664 -4.407 -12.862 1.00 0.00 O ATOM 417 CB VAL A 27 2.855 -1.256 -12.864 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.427 -0.538 -14.136 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.729 -1.251 -11.837 1.00 0.00 C ATOM 0 H VAL A 27 4.668 -1.825 -14.516 1.00 0.00 H new ATOM 0 HA VAL A 27 3.722 -3.121 -12.223 1.00 0.00 H new ATOM 0 HB VAL A 27 3.703 -0.711 -12.449 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.099 0.472 -13.891 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.269 -0.489 -14.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.606 -1.083 -14.603 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.411 -0.225 -11.651 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.887 -1.829 -12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.083 -1.696 -10.907 1.00 0.00 H new ATOM 429 N ASP A 28 1.767 -3.415 -14.874 1.00 0.00 N ATOM 430 CA ASP A 28 0.625 -4.139 -15.423 1.00 0.00 C ATOM 431 C ASP A 28 0.894 -5.636 -15.498 1.00 0.00 C ATOM 432 O ASP A 28 0.028 -6.446 -15.168 1.00 0.00 O ATOM 433 CB ASP A 28 0.254 -3.594 -16.808 1.00 0.00 C ATOM 434 CG ASP A 28 1.462 -3.349 -17.692 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.991 -4.316 -18.281 1.00 0.00 O ATOM 436 OD2 ASP A 28 1.892 -2.181 -17.794 1.00 0.00 O ATOM 0 H ASP A 28 2.222 -2.787 -15.536 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.216 -3.985 -14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.414 -4.299 -17.303 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.298 -2.661 -16.689 1.00 0.00 H new ATOM 441 N ASP A 29 2.099 -6.003 -15.913 1.00 0.00 N ATOM 442 CA ASP A 29 2.459 -7.409 -16.056 1.00 0.00 C ATOM 443 C ASP A 29 2.498 -8.101 -14.697 1.00 0.00 C ATOM 444 O ASP A 29 2.095 -9.257 -14.569 1.00 0.00 O ATOM 445 CB ASP A 29 3.806 -7.557 -16.765 1.00 0.00 C ATOM 446 CG ASP A 29 4.074 -8.986 -17.195 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.555 -9.398 -18.262 1.00 0.00 O ATOM 448 OD2 ASP A 29 4.788 -9.707 -16.477 1.00 0.00 O ATOM 0 H ASP A 29 2.843 -5.349 -16.156 1.00 0.00 H new ATOM 0 HA ASP A 29 1.694 -7.889 -16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.828 -6.906 -17.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.603 -7.224 -16.100 1.00 0.00 H new ATOM 453 N TRP A 30 2.962 -7.383 -13.678 1.00 0.00 N ATOM 454 CA TRP A 30 3.011 -7.924 -12.324 1.00 0.00 C ATOM 455 C TRP A 30 1.598 -8.185 -11.806 1.00 0.00 C ATOM 456 O TRP A 30 1.315 -9.246 -11.247 1.00 0.00 O ATOM 457 CB TRP A 30 3.750 -6.969 -11.383 1.00 0.00 C ATOM 458 CG TRP A 30 3.823 -7.466 -9.972 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.673 -8.412 -9.478 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.008 -7.045 -8.871 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.432 -8.611 -8.139 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.418 -7.780 -7.743 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.977 -6.115 -8.730 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.829 -7.615 -6.491 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.390 -5.954 -7.489 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.819 -6.700 -6.384 1.00 0.00 C ATOM 0 H TRP A 30 3.309 -6.428 -13.764 1.00 0.00 H new ATOM 0 HA TRP A 30 3.556 -8.867 -12.353 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.761 -6.811 -11.758 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.251 -6.000 -11.394 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.426 -8.929 -10.055 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.928 -9.270 -7.539 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.644 -5.531 -9.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.158 -8.189 -5.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.587 -5.241 -7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.342 -6.549 -5.427 1.00 0.00 H new ATOM 477 N ILE A 31 0.713 -7.213 -12.009 1.00 0.00 N ATOM 478 CA ILE A 31 -0.684 -7.341 -11.603 1.00 0.00 C ATOM 479 C ILE A 31 -1.344 -8.500 -12.344 1.00 0.00 C ATOM 480 O ILE A 31 -2.219 -9.179 -11.810 1.00 0.00 O ATOM 481 CB ILE A 31 -1.463 -6.032 -11.865 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.792 -4.874 -11.123 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.918 -6.171 -11.432 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.293 -3.514 -11.546 1.00 0.00 C ATOM 0 H ILE A 31 0.940 -6.324 -12.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.707 -7.542 -10.532 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.449 -5.825 -12.935 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.956 -4.996 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.284 -4.923 -11.288 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.446 -5.237 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.389 -6.978 -11.993 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.961 -6.397 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.773 -2.742 -10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.104 -3.371 -12.610 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.364 -3.445 -11.355 1.00 0.00 H new ATOM 496 N LYS A 32 -0.900 -8.731 -13.572 1.00 0.00 N ATOM 497 CA LYS A 32 -1.366 -9.861 -14.364 1.00 0.00 C ATOM 498 C LYS A 32 -0.977 -11.179 -13.691 1.00 0.00 C ATOM 499 O LYS A 32 -1.735 -12.151 -13.715 1.00 0.00 O ATOM 500 CB LYS A 32 -0.775 -9.755 -15.786 1.00 0.00 C ATOM 501 CG LYS A 32 -1.141 -10.885 -16.753 1.00 0.00 C ATOM 502 CD LYS A 32 -0.309 -12.148 -16.533 1.00 0.00 C ATOM 503 CE LYS A 32 1.186 -11.861 -16.544 1.00 0.00 C ATOM 504 NZ LYS A 32 1.655 -11.355 -17.859 1.00 0.00 N ATOM 0 H LYS A 32 -0.212 -8.145 -14.045 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.454 -9.842 -14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.100 -8.811 -16.223 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.311 -9.712 -15.704 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.197 -11.127 -16.638 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.003 -10.539 -17.777 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.583 -12.600 -15.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.543 -12.875 -17.310 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.418 -11.128 -15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.730 -12.772 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.269 -12.066 -18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.836 -11.170 -18.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.190 -10.474 -17.721 1.00 0.00 H new ATOM 518 N ARG A 33 0.198 -11.199 -13.074 1.00 0.00 N ATOM 519 CA ARG A 33 0.733 -12.421 -12.488 1.00 0.00 C ATOM 520 C ARG A 33 0.072 -12.722 -11.146 1.00 0.00 C ATOM 521 O ARG A 33 -0.326 -13.856 -10.884 1.00 0.00 O ATOM 522 CB ARG A 33 2.250 -12.284 -12.309 1.00 0.00 C ATOM 523 CG ARG A 33 3.025 -13.580 -12.508 1.00 0.00 C ATOM 524 CD ARG A 33 2.875 -14.535 -11.334 1.00 0.00 C ATOM 525 NE ARG A 33 3.354 -15.875 -11.667 1.00 0.00 N ATOM 526 CZ ARG A 33 3.824 -16.751 -10.777 1.00 0.00 C ATOM 527 NH1 ARG A 33 4.018 -16.394 -9.512 1.00 0.00 N ATOM 528 NH2 ARG A 33 4.143 -17.980 -11.169 1.00 0.00 N ATOM 0 H ARG A 33 0.799 -10.382 -12.967 1.00 0.00 H new ATOM 0 HA ARG A 33 0.519 -13.250 -13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.621 -11.540 -13.014 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.453 -11.903 -11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.679 -14.071 -13.418 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.081 -13.350 -12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.431 -14.151 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.828 -14.586 -11.037 1.00 0.00 H new ATOM 0 HE ARG A 33 3.327 -16.160 -12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.807 -15.442 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.378 -17.072 -8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.028 -18.250 -12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.503 -18.654 -10.493 1.00 0.00 H new ATOM 542 N VAL A 34 -0.057 -11.701 -10.309 1.00 0.00 N ATOM 543 CA VAL A 34 -0.584 -11.882 -8.960 1.00 0.00 C ATOM 544 C VAL A 34 -2.113 -11.793 -8.919 1.00 0.00 C ATOM 545 O VAL A 34 -2.766 -12.563 -8.218 1.00 0.00 O ATOM 546 CB VAL A 34 0.029 -10.866 -7.970 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.528 -11.091 -7.840 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.263 -9.430 -8.392 1.00 0.00 C ATOM 0 H VAL A 34 0.195 -10.740 -10.539 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.296 -12.887 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.436 -11.025 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.945 -10.368 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.714 -12.100 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.000 -10.966 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.183 -8.742 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.160 -9.248 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.341 -9.272 -8.425 1.00 0.00 H new ATOM 558 N GLY A 35 -2.671 -10.852 -9.665 1.00 0.00 N ATOM 559 CA GLY A 35 -4.108 -10.691 -9.726 1.00 0.00 C ATOM 560 C GLY A 35 -4.592 -9.573 -8.833 1.00 0.00 C ATOM 561 O GLY A 35 -5.141 -8.579 -9.300 1.00 0.00 O ATOM 0 H GLY A 35 -2.146 -10.189 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.406 -10.488 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.590 -11.624 -9.432 1.00 0.00 H new ATOM 565 N ASP A 36 -4.366 -9.735 -7.548 1.00 0.00 N ATOM 566 CA ASP A 36 -4.834 -8.777 -6.560 1.00 0.00 C ATOM 567 C ASP A 36 -3.648 -8.165 -5.829 1.00 0.00 C ATOM 568 O ASP A 36 -2.610 -8.808 -5.683 1.00 0.00 O ATOM 569 CB ASP A 36 -5.763 -9.458 -5.553 1.00 0.00 C ATOM 570 CG ASP A 36 -6.916 -10.195 -6.211 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.912 -9.539 -6.588 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.823 -11.432 -6.353 1.00 0.00 O ATOM 0 H ASP A 36 -3.857 -10.527 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.387 -7.991 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.186 -10.161 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.162 -8.708 -4.870 1.00 0.00 H new ATOM 577 N GLY A 37 -3.796 -6.930 -5.380 1.00 0.00 N ATOM 578 CA GLY A 37 -2.723 -6.262 -4.669 1.00 0.00 C ATOM 579 C GLY A 37 -2.931 -4.763 -4.586 1.00 0.00 C ATOM 580 O GLY A 37 -3.985 -4.257 -4.970 1.00 0.00 O ATOM 0 H GLY A 37 -4.643 -6.374 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.648 -6.672 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.776 -6.468 -5.169 1.00 0.00 H new ATOM 584 N VAL A 38 -1.927 -4.057 -4.084 1.00 0.00 N ATOM 585 CA VAL A 38 -1.996 -2.606 -3.943 1.00 0.00 C ATOM 586 C VAL A 38 -0.670 -1.965 -4.334 1.00 0.00 C ATOM 587 O VAL A 38 0.391 -2.533 -4.092 1.00 0.00 O ATOM 588 CB VAL A 38 -2.354 -2.181 -2.497 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.789 -2.552 -2.161 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.397 -2.810 -1.494 1.00 0.00 C ATOM 0 H VAL A 38 -1.049 -4.467 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.786 -2.262 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.256 -1.097 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.015 -2.243 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.466 -2.049 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.916 -3.631 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.669 -2.497 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.457 -3.896 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.379 -2.488 -1.712 1.00 0.00 H new ATOM 600 N ILE A 39 -0.738 -0.795 -4.959 1.00 0.00 N ATOM 601 CA ILE A 39 0.460 -0.040 -5.317 1.00 0.00 C ATOM 602 C ILE A 39 0.427 1.332 -4.638 1.00 0.00 C ATOM 603 O ILE A 39 -0.608 2.006 -4.642 1.00 0.00 O ATOM 604 CB ILE A 39 0.607 0.149 -6.863 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.117 -1.126 -7.558 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.533 1.312 -7.191 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.082 -2.223 -7.688 1.00 0.00 C ATOM 0 H ILE A 39 -1.613 -0.346 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 39 1.320 -0.615 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.391 0.368 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.478 -0.864 -8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.971 -1.512 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.615 1.418 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.128 2.230 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.520 1.121 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.525 -3.084 -8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.263 -2.517 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.763 -1.859 -8.272 1.00 0.00 H new ATOM 619 N LEU A 40 1.547 1.727 -4.038 1.00 0.00 N ATOM 620 CA LEU A 40 1.666 3.051 -3.428 1.00 0.00 C ATOM 621 C LEU A 40 2.034 4.096 -4.474 1.00 0.00 C ATOM 622 O LEU A 40 2.840 3.832 -5.365 1.00 0.00 O ATOM 623 CB LEU A 40 2.734 3.066 -2.330 1.00 0.00 C ATOM 624 CG LEU A 40 2.412 2.273 -1.066 1.00 0.00 C ATOM 625 CD1 LEU A 40 3.471 2.525 -0.004 1.00 0.00 C ATOM 626 CD2 LEU A 40 1.040 2.645 -0.537 1.00 0.00 C ATOM 0 H LEU A 40 2.385 1.151 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 40 0.696 3.288 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.663 2.679 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.920 4.102 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 40 2.409 1.212 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.230 1.954 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.445 2.215 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.497 3.587 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.829 2.069 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.017 3.709 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.286 2.425 -1.293 1.00 0.00 H new ATOM 638 N LEU A 41 1.443 5.277 -4.365 1.00 0.00 N ATOM 639 CA LEU A 41 1.781 6.382 -5.255 1.00 0.00 C ATOM 640 C LEU A 41 2.358 7.545 -4.460 1.00 0.00 C ATOM 641 O LEU A 41 1.710 8.050 -3.542 1.00 0.00 O ATOM 642 CB LEU A 41 0.556 6.863 -6.049 1.00 0.00 C ATOM 643 CG LEU A 41 0.078 5.936 -7.175 1.00 0.00 C ATOM 644 CD1 LEU A 41 -0.605 4.702 -6.615 1.00 0.00 C ATOM 645 CD2 LEU A 41 -0.857 6.682 -8.113 1.00 0.00 C ATOM 0 H LEU A 41 0.728 5.496 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 41 2.526 6.016 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.269 7.011 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.787 7.837 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 41 0.952 5.609 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.933 4.064 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.095 4.153 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.468 5.002 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.188 6.012 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.723 7.039 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.332 7.531 -8.551 1.00 0.00 H new ATOM 657 N SER A 42 3.587 7.932 -4.807 1.00 0.00 N ATOM 658 CA SER A 42 4.254 9.102 -4.229 1.00 0.00 C ATOM 659 C SER A 42 4.652 8.906 -2.765 1.00 0.00 C ATOM 660 O SER A 42 3.919 8.330 -1.962 1.00 0.00 O ATOM 661 CB SER A 42 3.383 10.352 -4.375 1.00 0.00 C ATOM 662 OG SER A 42 3.234 10.716 -5.738 1.00 0.00 O ATOM 0 H SER A 42 4.151 7.441 -5.500 1.00 0.00 H new ATOM 0 HA SER A 42 5.177 9.235 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.403 10.169 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.831 11.178 -3.822 1.00 0.00 H new ATOM 0 HG SER A 42 3.279 11.691 -5.823 1.00 0.00 H new ATOM 863 N VAL A 56 4.589 2.176 7.761 1.00 0.00 N ATOM 864 CA VAL A 56 4.428 0.814 8.259 1.00 0.00 C ATOM 865 C VAL A 56 2.992 0.336 8.089 1.00 0.00 C ATOM 866 O VAL A 56 2.741 -0.851 7.885 1.00 0.00 O ATOM 867 CB VAL A 56 4.823 0.698 9.746 1.00 0.00 C ATOM 868 CG1 VAL A 56 6.336 0.674 9.904 1.00 0.00 C ATOM 869 CG2 VAL A 56 4.220 1.840 10.557 1.00 0.00 C ATOM 0 HA VAL A 56 5.094 0.185 7.669 1.00 0.00 H new ATOM 0 HB VAL A 56 4.424 -0.242 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.590 0.592 10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.745 -0.181 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.759 1.594 9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.512 1.738 11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.583 2.792 10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.133 1.808 10.479 1.00 0.00 H new ATOM 879 N MET A 57 2.067 1.288 8.155 1.00 0.00 N ATOM 880 CA MET A 57 0.624 1.025 8.081 1.00 0.00 C ATOM 881 C MET A 57 0.259 0.094 6.926 1.00 0.00 C ATOM 882 O MET A 57 -0.654 -0.718 7.048 1.00 0.00 O ATOM 883 CB MET A 57 -0.159 2.335 7.924 1.00 0.00 C ATOM 884 CG MET A 57 0.174 3.395 8.966 1.00 0.00 C ATOM 885 SD MET A 57 1.786 4.156 8.695 1.00 0.00 S ATOM 886 CE MET A 57 1.867 5.296 10.079 1.00 0.00 C ATOM 0 H MET A 57 2.295 2.276 8.263 1.00 0.00 H new ATOM 0 HA MET A 57 0.354 0.535 9.016 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.035 2.744 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.225 2.115 7.975 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.595 4.167 8.951 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.152 2.943 9.958 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.810 5.841 10.047 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.038 6.001 10.018 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.802 4.739 11.014 1.00 0.00 H new ATOM 896 N ILE A 58 0.978 0.212 5.813 1.00 0.00 N ATOM 897 CA ILE A 58 0.688 -0.583 4.621 1.00 0.00 C ATOM 898 C ILE A 58 0.824 -2.084 4.917 1.00 0.00 C ATOM 899 O ILE A 58 0.088 -2.904 4.372 1.00 0.00 O ATOM 900 CB ILE A 58 1.618 -0.196 3.441 1.00 0.00 C ATOM 901 CG1 ILE A 58 1.555 1.313 3.177 1.00 0.00 C ATOM 902 CG2 ILE A 58 1.244 -0.967 2.179 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.166 1.819 2.854 1.00 0.00 C ATOM 0 H ILE A 58 1.767 0.851 5.711 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.341 -0.369 4.333 1.00 0.00 H new ATOM 0 HB ILE A 58 2.639 -0.460 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.929 1.842 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.222 1.556 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.910 -0.679 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.340 -2.037 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.215 -0.737 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.202 2.894 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.205 1.319 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.501 1.609 3.690 1.00 0.00 H new ATOM 915 N ALA A 59 1.758 -2.434 5.796 1.00 0.00 N ATOM 916 CA ALA A 59 1.970 -3.830 6.172 1.00 0.00 C ATOM 917 C ALA A 59 0.912 -4.296 7.166 1.00 0.00 C ATOM 918 O ALA A 59 0.348 -5.382 7.028 1.00 0.00 O ATOM 919 CB ALA A 59 3.360 -4.020 6.756 1.00 0.00 C ATOM 0 H ALA A 59 2.380 -1.773 6.261 1.00 0.00 H new ATOM 0 HA ALA A 59 1.882 -4.437 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.500 -5.066 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.108 -3.736 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.471 -3.395 7.642 1.00 0.00 H new ATOM 925 N GLU A 60 0.647 -3.461 8.160 1.00 0.00 N ATOM 926 CA GLU A 60 -0.309 -3.781 9.211 1.00 0.00 C ATOM 927 C GLU A 60 -1.732 -3.867 8.665 1.00 0.00 C ATOM 928 O GLU A 60 -2.564 -4.596 9.201 1.00 0.00 O ATOM 929 CB GLU A 60 -0.214 -2.754 10.337 1.00 0.00 C ATOM 930 CG GLU A 60 0.862 -3.080 11.369 1.00 0.00 C ATOM 931 CD GLU A 60 2.230 -3.328 10.757 1.00 0.00 C ATOM 932 OE1 GLU A 60 2.492 -4.469 10.320 1.00 0.00 O ATOM 933 OE2 GLU A 60 3.047 -2.392 10.715 1.00 0.00 O ATOM 0 H GLU A 60 1.086 -2.546 8.261 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.058 -4.763 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.009 -1.773 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.179 -2.687 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.934 -2.257 12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.559 -3.962 11.933 1.00 0.00 H new ATOM 940 N LEU A 61 -2.000 -3.113 7.604 1.00 0.00 N ATOM 941 CA LEU A 61 -3.281 -3.174 6.904 1.00 0.00 C ATOM 942 C LEU A 61 -3.597 -4.623 6.527 1.00 0.00 C ATOM 943 O LEU A 61 -4.730 -5.086 6.669 1.00 0.00 O ATOM 944 CB LEU A 61 -3.220 -2.298 5.641 1.00 0.00 C ATOM 945 CG LEU A 61 -4.519 -1.583 5.240 1.00 0.00 C ATOM 946 CD1 LEU A 61 -5.619 -2.577 4.903 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.973 -0.644 6.347 1.00 0.00 C ATOM 0 H LEU A 61 -1.340 -2.445 7.206 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.070 -2.801 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.446 -1.544 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.903 -2.924 4.807 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.313 -0.997 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.524 -2.037 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.300 -3.205 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.823 -3.202 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.895 -0.146 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.150 -1.215 7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.200 0.102 6.531 1.00 0.00 H new ATOM 959 N LEU A 62 -2.572 -5.337 6.080 1.00 0.00 N ATOM 960 CA LEU A 62 -2.714 -6.733 5.681 1.00 0.00 C ATOM 961 C LEU A 62 -3.039 -7.616 6.885 1.00 0.00 C ATOM 962 O LEU A 62 -3.779 -8.594 6.770 1.00 0.00 O ATOM 963 CB LEU A 62 -1.424 -7.217 5.015 1.00 0.00 C ATOM 964 CG LEU A 62 -1.438 -8.666 4.520 1.00 0.00 C ATOM 965 CD1 LEU A 62 -2.495 -8.861 3.443 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.064 -9.062 4.000 1.00 0.00 C ATOM 0 H LEU A 62 -1.625 -4.969 5.984 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.538 -6.804 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.206 -6.565 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.605 -7.102 5.725 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.690 -9.312 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.485 -9.898 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.477 -8.620 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.280 -8.205 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.090 -10.095 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.215 -8.408 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.669 -8.968 4.801 1.00 0.00 H new ATOM 978 N ARG A 63 -2.489 -7.259 8.040 1.00 0.00 N ATOM 979 CA ARG A 63 -2.700 -8.032 9.261 1.00 0.00 C ATOM 980 C ARG A 63 -4.165 -8.010 9.670 1.00 0.00 C ATOM 981 O ARG A 63 -4.695 -9.000 10.182 1.00 0.00 O ATOM 982 CB ARG A 63 -1.856 -7.482 10.415 1.00 0.00 C ATOM 983 CG ARG A 63 -0.362 -7.466 10.147 1.00 0.00 C ATOM 984 CD ARG A 63 0.408 -7.008 11.376 1.00 0.00 C ATOM 985 NE ARG A 63 1.842 -6.911 11.122 1.00 0.00 N ATOM 986 CZ ARG A 63 2.729 -7.833 11.492 1.00 0.00 C ATOM 987 NH1 ARG A 63 2.338 -8.896 12.184 1.00 0.00 N ATOM 988 NH2 ARG A 63 4.013 -7.683 11.188 1.00 0.00 N ATOM 0 H ARG A 63 -1.893 -6.439 8.158 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.396 -9.057 9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.184 -6.466 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.047 -8.080 11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.030 -8.463 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.146 -6.802 9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.031 -6.037 11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.232 -7.706 12.194 1.00 0.00 H new ATOM 0 HE ARG A 63 2.186 -6.086 10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.356 -9.009 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.020 -9.600 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.322 -6.860 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.690 -8.390 11.472 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.820 -6.884 9.434 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.185 -6.696 9.877 1.00 0.00 C ATOM 1004 C GLU A 64 -7.178 -6.767 8.719 1.00 0.00 C ATOM 1005 O GLU A 64 -8.288 -6.244 8.818 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.309 -5.357 10.600 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.498 -5.289 11.883 1.00 0.00 C ATOM 1008 CD GLU A 64 -5.853 -4.094 12.742 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.998 -4.043 13.239 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.986 -3.218 12.945 1.00 0.00 O ATOM 0 H GLU A 64 -4.424 -6.087 8.936 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.430 -7.508 10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.985 -4.560 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.358 -5.173 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.657 -6.202 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.437 -5.249 11.635 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.788 -7.423 7.629 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.701 -7.617 6.508 1.00 0.00 C ATOM 1019 C PHE A 65 -8.063 -9.091 6.368 1.00 0.00 C ATOM 1020 O PHE A 65 -7.381 -9.843 5.677 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.097 -7.098 5.198 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.041 -6.240 4.409 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.373 -4.971 4.856 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.593 -6.695 3.224 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.238 -4.173 4.136 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.459 -5.902 2.498 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.782 -4.637 2.955 1.00 0.00 C ATOM 0 H PHE A 65 -5.859 -7.824 7.499 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.605 -7.044 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.197 -6.525 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.790 -7.946 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.950 -4.602 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.343 -7.682 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.489 -3.186 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.883 -6.269 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.458 -4.014 2.389 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.141 -9.528 7.036 1.00 0.00 N ATOM 1038 CA PRO A 66 -9.572 -10.922 7.015 1.00 0.00 C ATOM 1039 C PRO A 66 -10.501 -11.226 5.842 1.00 0.00 C ATOM 1040 O PRO A 66 -11.104 -12.296 5.775 1.00 0.00 O ATOM 1041 CB PRO A 66 -10.314 -11.055 8.341 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.922 -9.711 8.569 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.028 -8.702 7.881 1.00 0.00 C ATOM 0 HA PRO A 66 -8.741 -11.617 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.077 -11.832 8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.635 -11.325 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.933 -9.671 8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.997 -9.497 9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.607 -7.998 7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.459 -8.115 8.602 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.609 -10.273 4.924 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.471 -10.426 3.762 1.00 0.00 C ATOM 1053 C GLN A 67 -10.866 -11.423 2.780 1.00 0.00 C ATOM 1054 O GLN A 67 -11.580 -12.232 2.191 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.684 -9.074 3.072 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.390 -8.042 3.939 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.776 -8.486 4.363 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -13.947 -9.120 5.403 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.781 -8.152 3.567 1.00 0.00 N ATOM 0 H GLN A 67 -10.109 -9.385 4.963 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.437 -10.804 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.716 -8.677 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.265 -9.229 2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.788 -7.846 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.465 -7.103 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.601 -7.626 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.735 -8.421 3.809 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.547 -11.356 2.621 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.818 -12.235 1.710 1.00 0.00 C ATOM 1070 C PHE A 68 -7.320 -11.972 1.793 1.00 0.00 C ATOM 1071 O PHE A 68 -6.864 -11.205 2.644 1.00 0.00 O ATOM 1072 CB PHE A 68 -9.309 -12.078 0.259 1.00 0.00 C ATOM 1073 CG PHE A 68 -9.272 -10.674 -0.314 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.817 -9.581 0.422 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.708 -10.456 -1.613 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.802 -8.316 -0.131 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.692 -9.194 -2.167 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.240 -8.123 -1.426 1.00 0.00 C ATOM 0 H PHE A 68 -8.954 -10.692 3.119 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.012 -13.262 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.705 -12.724 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.334 -12.444 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.473 -9.725 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.066 -11.289 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.448 -7.477 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.033 -9.044 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.229 -7.133 -1.858 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.563 -12.605 0.911 1.00 0.00 N ATOM 1089 CA ASP A 69 -5.122 -12.421 0.865 1.00 0.00 C ATOM 1090 C ASP A 69 -4.695 -11.817 -0.461 1.00 0.00 C ATOM 1091 O ASP A 69 -5.055 -12.317 -1.527 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.392 -13.749 1.086 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.292 -14.132 2.547 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -5.244 -14.739 3.078 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -3.251 -13.835 3.166 1.00 0.00 O ATOM 0 H ASP A 69 -6.926 -13.255 0.213 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.853 -11.735 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.913 -14.538 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.389 -13.681 0.664 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.946 -10.732 -0.383 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.374 -10.100 -1.560 1.00 0.00 C ATOM 1102 C TRP A 70 -1.917 -9.738 -1.297 1.00 0.00 C ATOM 1103 O TRP A 70 -1.431 -9.879 -0.172 1.00 0.00 O ATOM 1104 CB TRP A 70 -4.182 -8.861 -1.985 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.446 -7.849 -0.895 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.903 -7.808 0.359 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.326 -6.718 -0.982 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.400 -6.734 1.057 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.271 -6.047 0.254 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -6.155 -6.211 -1.986 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -6.017 -4.899 0.513 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.892 -5.070 -1.729 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.819 -4.425 -0.488 1.00 0.00 C ATOM 0 H TRP A 70 -3.717 -10.265 0.494 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.418 -10.810 -2.386 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.651 -8.364 -2.797 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.139 -9.194 -2.387 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.186 -8.518 0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.159 -6.488 2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -6.219 -6.702 -2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.964 -4.401 1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.535 -4.669 -2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.408 -3.536 -0.318 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.221 -9.279 -2.322 1.00 0.00 N ATOM 1125 CA GLN A 71 0.185 -8.931 -2.180 1.00 0.00 C ATOM 1126 C GLN A 71 0.343 -7.450 -1.882 1.00 0.00 C ATOM 1127 O GLN A 71 -0.140 -6.597 -2.629 1.00 0.00 O ATOM 1128 CB GLN A 71 0.996 -9.300 -3.430 1.00 0.00 C ATOM 1129 CG GLN A 71 0.156 -9.710 -4.627 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.419 -11.110 -4.500 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.175 -11.987 -3.875 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.590 -11.317 -5.075 1.00 0.00 N ATOM 0 H GLN A 71 -1.602 -9.138 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 71 0.575 -9.510 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.615 -8.448 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.673 -10.117 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.660 -8.998 -4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.767 -9.655 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.049 -10.562 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.035 -12.232 -5.010 1.00 0.00 H new ATOM 1141 N VAL A 72 1.008 -7.157 -0.779 1.00 0.00 N ATOM 1142 CA VAL A 72 1.298 -5.784 -0.401 1.00 0.00 C ATOM 1143 C VAL A 72 2.513 -5.268 -1.173 1.00 0.00 C ATOM 1144 O VAL A 72 3.629 -5.757 -1.000 1.00 0.00 O ATOM 1145 CB VAL A 72 1.528 -5.661 1.127 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.546 -6.681 1.624 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.966 -4.255 1.494 1.00 0.00 C ATOM 0 H VAL A 72 1.360 -7.856 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 72 0.434 -5.171 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 72 0.578 -5.870 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.682 -6.565 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.187 -7.688 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.498 -6.521 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.122 -4.192 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.897 -4.018 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.195 -3.544 1.197 1.00 0.00 H new ATOM 1157 N ALA A 73 2.286 -4.295 -2.040 1.00 0.00 N ATOM 1158 CA ALA A 73 3.344 -3.770 -2.882 1.00 0.00 C ATOM 1159 C ALA A 73 3.492 -2.268 -2.701 1.00 0.00 C ATOM 1160 O ALA A 73 2.534 -1.573 -2.362 1.00 0.00 O ATOM 1161 CB ALA A 73 3.074 -4.109 -4.338 1.00 0.00 C ATOM 0 H ALA A 73 1.377 -3.853 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 73 4.282 -4.237 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.875 -3.709 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.028 -5.192 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.124 -3.670 -4.644 1.00 0.00 H new ATOM 1167 N VAL A 74 4.702 -1.775 -2.923 1.00 0.00 N ATOM 1168 CA VAL A 74 5.010 -0.373 -2.698 1.00 0.00 C ATOM 1169 C VAL A 74 5.951 0.156 -3.777 1.00 0.00 C ATOM 1170 O VAL A 74 6.645 -0.617 -4.442 1.00 0.00 O ATOM 1171 CB VAL A 74 5.656 -0.157 -1.308 1.00 0.00 C ATOM 1172 CG1 VAL A 74 4.727 -0.624 -0.198 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.991 -0.881 -1.216 1.00 0.00 C ATOM 0 H VAL A 74 5.489 -2.330 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 74 4.069 0.175 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 74 5.831 0.912 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.204 -0.461 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.795 -0.060 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.515 -1.686 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.427 -0.716 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.837 -1.949 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.666 -0.498 -1.981 1.00 0.00 H new ATOM 1183 N ALA A 75 5.959 1.470 -3.947 1.00 0.00 N ATOM 1184 CA ALA A 75 6.835 2.121 -4.912 1.00 0.00 C ATOM 1185 C ALA A 75 7.844 3.005 -4.188 1.00 0.00 C ATOM 1186 O ALA A 75 7.595 3.429 -3.059 1.00 0.00 O ATOM 1187 CB ALA A 75 6.024 2.935 -5.913 1.00 0.00 C ATOM 0 H ALA A 75 5.363 2.112 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 75 7.377 1.354 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.698 3.413 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.339 2.277 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.454 3.699 -5.384 1.00 0.00 H new ATOM 1193 N ASP A 76 8.967 3.286 -4.837 1.00 0.00 N ATOM 1194 CA ASP A 76 10.056 4.026 -4.200 1.00 0.00 C ATOM 1195 C ASP A 76 9.798 5.534 -4.259 1.00 0.00 C ATOM 1196 O ASP A 76 9.342 6.134 -3.285 1.00 0.00 O ATOM 1197 CB ASP A 76 11.390 3.688 -4.872 1.00 0.00 C ATOM 1198 CG ASP A 76 12.586 3.967 -3.981 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.865 5.147 -3.692 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.262 3.003 -3.577 1.00 0.00 O ATOM 0 H ASP A 76 9.150 3.014 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 76 10.104 3.730 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.392 2.636 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.485 4.266 -5.791 1.00 0.00 H new ATOM 1205 N LEU A 77 10.070 6.146 -5.411 1.00 0.00 N ATOM 1206 CA LEU A 77 9.836 7.579 -5.576 1.00 0.00 C ATOM 1207 C LEU A 77 9.687 7.947 -7.052 1.00 0.00 C ATOM 1208 O LEU A 77 8.830 8.750 -7.416 1.00 0.00 O ATOM 1209 CB LEU A 77 10.960 8.416 -4.927 1.00 0.00 C ATOM 1210 CG LEU A 77 12.254 8.587 -5.741 1.00 0.00 C ATOM 1211 CD1 LEU A 77 13.155 9.621 -5.087 1.00 0.00 C ATOM 1212 CD2 LEU A 77 13.000 7.268 -5.887 1.00 0.00 C ATOM 0 H LEU A 77 10.448 5.678 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 77 8.902 7.813 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.563 9.407 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.217 7.958 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 77 11.975 8.930 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.067 9.732 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.636 10.578 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.410 9.296 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.909 7.426 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.262 6.887 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.364 6.545 -6.398 1.00 0.00 H new ATOM 1224 N GLU A 78 10.507 7.342 -7.901 1.00 0.00 N ATOM 1225 CA GLU A 78 10.514 7.669 -9.319 1.00 0.00 C ATOM 1226 C GLU A 78 9.333 7.021 -10.030 1.00 0.00 C ATOM 1227 O GLU A 78 8.783 7.574 -10.987 1.00 0.00 O ATOM 1228 CB GLU A 78 11.828 7.223 -9.948 1.00 0.00 C ATOM 1229 CG GLU A 78 11.999 7.673 -11.388 1.00 0.00 C ATOM 1230 CD GLU A 78 13.400 7.438 -11.899 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.270 8.304 -11.673 1.00 0.00 O ATOM 1232 OE2 GLU A 78 13.639 6.386 -12.525 1.00 0.00 O ATOM 0 H GLU A 78 11.176 6.621 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 78 10.420 8.749 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.655 7.612 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.890 6.136 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.290 7.139 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.759 8.733 -11.466 1.00 0.00 H new ATOM 1239 N GLN A 79 8.941 5.854 -9.539 1.00 0.00 N ATOM 1240 CA GLN A 79 7.841 5.098 -10.121 1.00 0.00 C ATOM 1241 C GLN A 79 6.530 5.876 -10.026 1.00 0.00 C ATOM 1242 O GLN A 79 5.660 5.727 -10.878 1.00 0.00 O ATOM 1243 CB GLN A 79 7.686 3.737 -9.425 1.00 0.00 C ATOM 1244 CG GLN A 79 8.860 2.780 -9.626 1.00 0.00 C ATOM 1245 CD GLN A 79 10.132 3.228 -8.929 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.085 3.918 -7.906 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.274 2.839 -9.471 1.00 0.00 N ATOM 0 H GLN A 79 9.373 5.407 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 79 8.075 4.934 -11.173 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.550 3.904 -8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.778 3.258 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.581 1.793 -9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.057 2.678 -10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.269 2.269 -10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.160 3.109 -9.043 1.00 0.00 H new ATOM 1256 N SER A 80 6.413 6.717 -8.999 1.00 0.00 N ATOM 1257 CA SER A 80 5.203 7.494 -8.749 1.00 0.00 C ATOM 1258 C SER A 80 4.738 8.240 -10.001 1.00 0.00 C ATOM 1259 O SER A 80 3.570 8.154 -10.388 1.00 0.00 O ATOM 1260 CB SER A 80 5.471 8.489 -7.624 1.00 0.00 C ATOM 1261 OG SER A 80 6.122 7.850 -6.537 1.00 0.00 O ATOM 0 H SER A 80 7.155 6.878 -8.318 1.00 0.00 H new ATOM 0 HA SER A 80 4.408 6.805 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.088 9.307 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.531 8.926 -7.286 1.00 0.00 H new ATOM 0 HG SER A 80 7.086 8.016 -6.590 1.00 0.00 H new ATOM 1267 N GLU A 81 5.661 8.952 -10.638 1.00 0.00 N ATOM 1268 CA GLU A 81 5.337 9.724 -11.830 1.00 0.00 C ATOM 1269 C GLU A 81 4.860 8.819 -12.960 1.00 0.00 C ATOM 1270 O GLU A 81 3.820 9.069 -13.566 1.00 0.00 O ATOM 1271 CB GLU A 81 6.551 10.526 -12.296 1.00 0.00 C ATOM 1272 CG GLU A 81 6.298 11.335 -13.560 1.00 0.00 C ATOM 1273 CD GLU A 81 7.524 12.080 -14.041 1.00 0.00 C ATOM 1274 OE1 GLU A 81 8.602 11.925 -13.427 1.00 0.00 O ATOM 1275 OE2 GLU A 81 7.414 12.824 -15.038 1.00 0.00 O ATOM 0 H GLU A 81 6.637 9.010 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 81 4.531 10.410 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.858 11.202 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.382 9.843 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.953 10.667 -14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.496 12.049 -13.373 1.00 0.00 H new ATOM 1282 N ALA A 82 5.621 7.763 -13.226 1.00 0.00 N ATOM 1283 CA ALA A 82 5.355 6.888 -14.362 1.00 0.00 C ATOM 1284 C ALA A 82 4.103 6.040 -14.142 1.00 0.00 C ATOM 1285 O ALA A 82 3.364 5.762 -15.088 1.00 0.00 O ATOM 1286 CB ALA A 82 6.564 6.009 -14.645 1.00 0.00 C ATOM 0 H ALA A 82 6.430 7.491 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 82 5.169 7.517 -15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.352 5.361 -15.495 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.425 6.637 -14.874 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.783 5.398 -13.769 1.00 0.00 H new ATOM 1292 N ILE A 83 3.864 5.630 -12.899 1.00 0.00 N ATOM 1293 CA ILE A 83 2.662 4.870 -12.563 1.00 0.00 C ATOM 1294 C ILE A 83 1.427 5.755 -12.698 1.00 0.00 C ATOM 1295 O ILE A 83 0.439 5.373 -13.325 1.00 0.00 O ATOM 1296 CB ILE A 83 2.730 4.276 -11.132 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.846 3.233 -11.052 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.394 3.654 -10.740 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.039 2.639 -9.672 1.00 0.00 C ATOM 0 H ILE A 83 4.484 5.810 -12.110 1.00 0.00 H new ATOM 0 HA ILE A 83 2.596 4.038 -13.264 1.00 0.00 H new ATOM 0 HB ILE A 83 2.947 5.083 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.628 2.429 -11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.781 3.692 -11.372 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.465 3.244 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.616 4.417 -10.767 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.145 2.856 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.848 1.909 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.289 3.431 -8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.119 2.149 -9.355 1.00 0.00 H new ATOM 1311 N GLY A 84 1.505 6.952 -12.129 1.00 0.00 N ATOM 1312 CA GLY A 84 0.405 7.893 -12.226 1.00 0.00 C ATOM 1313 C GLY A 84 0.168 8.350 -13.651 1.00 0.00 C ATOM 1314 O GLY A 84 -0.950 8.671 -14.028 1.00 0.00 O ATOM 0 H GLY A 84 2.311 7.288 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.503 7.430 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.613 8.759 -11.598 1.00 0.00 H new ATOM 1318 N ASP A 85 1.224 8.370 -14.445 1.00 0.00 N ATOM 1319 CA ASP A 85 1.139 8.785 -15.842 1.00 0.00 C ATOM 1320 C ASP A 85 0.500 7.696 -16.691 1.00 0.00 C ATOM 1321 O ASP A 85 -0.195 7.974 -17.670 1.00 0.00 O ATOM 1322 CB ASP A 85 2.536 9.090 -16.369 1.00 0.00 C ATOM 1323 CG ASP A 85 2.526 9.723 -17.744 1.00 0.00 C ATOM 1324 OD1 ASP A 85 2.225 10.932 -17.846 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.828 9.018 -18.725 1.00 0.00 O ATOM 0 H ASP A 85 2.161 8.101 -14.146 1.00 0.00 H new ATOM 0 HA ASP A 85 0.519 9.679 -15.901 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.043 9.757 -15.672 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.114 8.167 -16.405 1.00 0.00 H new ATOM 1330 N ARG A 86 0.749 6.458 -16.293 1.00 0.00 N ATOM 1331 CA ARG A 86 0.256 5.271 -16.999 1.00 0.00 C ATOM 1332 C ARG A 86 -1.249 5.345 -17.256 1.00 0.00 C ATOM 1333 O ARG A 86 -1.714 5.022 -18.348 1.00 0.00 O ATOM 1334 CB ARG A 86 0.583 4.023 -16.174 1.00 0.00 C ATOM 1335 CG ARG A 86 0.288 2.694 -16.862 1.00 0.00 C ATOM 1336 CD ARG A 86 1.123 2.499 -18.118 1.00 0.00 C ATOM 1337 NE ARG A 86 1.253 1.085 -18.477 1.00 0.00 N ATOM 1338 CZ ARG A 86 1.318 0.633 -19.729 1.00 0.00 C ATOM 1339 NH1 ARG A 86 1.170 1.462 -20.755 1.00 0.00 N ATOM 1340 NH2 ARG A 86 1.515 -0.658 -19.952 1.00 0.00 N ATOM 0 H ARG A 86 1.303 6.240 -15.465 1.00 0.00 H new ATOM 0 HA ARG A 86 0.751 5.222 -17.969 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.640 4.049 -15.908 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.019 4.065 -15.242 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.483 1.876 -16.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.770 2.648 -17.120 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.666 3.042 -18.945 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.114 2.927 -17.965 1.00 0.00 H new ATOM 0 HE ARG A 86 1.297 0.402 -17.720 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.005 2.455 -20.589 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.221 1.106 -21.710 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.616 -1.301 -19.167 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.565 -1.008 -20.909 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.004 5.772 -16.253 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.461 5.831 -16.375 1.00 0.00 C ATOM 1356 C PHE A 87 -4.024 7.164 -15.883 1.00 0.00 C ATOM 1357 O PHE A 87 -5.224 7.282 -15.640 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.108 4.659 -15.625 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.322 4.185 -14.435 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.321 4.902 -13.253 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.580 3.017 -14.507 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.596 4.465 -12.163 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.853 2.572 -13.419 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.860 3.298 -12.245 1.00 0.00 C ATOM 0 H PHE A 87 -1.640 6.081 -15.352 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.705 5.750 -17.434 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.103 4.958 -15.295 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.238 3.826 -16.316 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.894 5.815 -13.182 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.570 2.447 -15.425 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.604 5.035 -11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.281 1.659 -13.487 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.292 2.955 -11.393 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.148 8.157 -15.756 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.538 9.530 -15.399 1.00 0.00 C ATOM 1376 C ASN A 88 -4.153 9.610 -13.998 1.00 0.00 C ATOM 1377 O ASN A 88 -5.375 9.628 -13.832 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.499 10.119 -16.445 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.937 11.539 -16.122 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -4.199 12.312 -15.506 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -6.144 11.893 -16.540 1.00 0.00 N ATOM 0 H ASN A 88 -2.145 8.039 -15.897 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.626 10.127 -15.389 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.014 10.108 -17.421 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.380 9.482 -16.519 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.492 12.834 -16.355 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.725 11.225 -17.047 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.287 9.632 -12.994 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.692 9.808 -11.602 1.00 0.00 C ATOM 1390 C VAL A 89 -2.778 10.831 -10.929 1.00 0.00 C ATOM 1391 O VAL A 89 -1.600 10.929 -11.274 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.644 8.466 -10.822 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.986 8.665 -9.352 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.596 7.457 -11.442 1.00 0.00 C ATOM 0 H VAL A 89 -2.280 9.528 -13.120 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.721 10.166 -11.590 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.625 8.084 -10.886 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.943 7.706 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.270 9.352 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.990 9.079 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.550 6.522 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.613 7.849 -11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.309 7.275 -12.478 1.00 0.00 H new ATOM 1404 N ARG A 90 -3.328 11.601 -9.993 1.00 0.00 N ATOM 1405 CA ARG A 90 -2.566 12.620 -9.272 1.00 0.00 C ATOM 1406 C ARG A 90 -1.372 12.017 -8.534 1.00 0.00 C ATOM 1407 O ARG A 90 -1.470 10.940 -7.947 1.00 0.00 O ATOM 1408 CB ARG A 90 -3.470 13.328 -8.263 1.00 0.00 C ATOM 1409 CG ARG A 90 -4.506 14.243 -8.890 1.00 0.00 C ATOM 1410 CD ARG A 90 -3.871 15.499 -9.462 1.00 0.00 C ATOM 1411 NE ARG A 90 -4.874 16.431 -9.968 1.00 0.00 N ATOM 1412 CZ ARG A 90 -4.755 17.755 -9.925 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -3.661 18.318 -9.431 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -5.731 18.520 -10.384 1.00 0.00 N ATOM 0 H ARG A 90 -4.307 11.538 -9.714 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.191 13.331 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.982 12.577 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.849 13.912 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.033 13.709 -9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.249 14.519 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.276 15.989 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.188 15.227 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.721 16.042 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.901 17.735 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.579 19.334 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.574 18.095 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.641 19.536 -10.352 1.00 0.00 H new ATOM 1428 N ARG A 91 -0.248 12.723 -8.562 1.00 0.00 N ATOM 1429 CA ARG A 91 0.940 12.299 -7.832 1.00 0.00 C ATOM 1430 C ARG A 91 0.866 12.762 -6.383 1.00 0.00 C ATOM 1431 O ARG A 91 1.501 13.743 -5.996 1.00 0.00 O ATOM 1432 CB ARG A 91 2.207 12.850 -8.486 1.00 0.00 C ATOM 1433 CG ARG A 91 2.504 12.253 -9.849 1.00 0.00 C ATOM 1434 CD ARG A 91 3.602 13.024 -10.560 1.00 0.00 C ATOM 1435 NE ARG A 91 3.214 14.414 -10.802 1.00 0.00 N ATOM 1436 CZ ARG A 91 4.077 15.421 -10.934 1.00 0.00 C ATOM 1437 NH1 ARG A 91 5.380 15.200 -10.826 1.00 0.00 N ATOM 1438 NH2 ARG A 91 3.631 16.655 -11.163 1.00 0.00 N ATOM 0 H ARG A 91 -0.134 13.593 -9.083 1.00 0.00 H new ATOM 0 HA ARG A 91 0.980 11.210 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.112 13.931 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.055 12.665 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.803 11.211 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.599 12.260 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.512 12.999 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.832 12.539 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 91 2.219 14.626 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.724 14.258 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.038 15.972 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.629 16.829 -11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.292 17.426 -11.264 1.00 0.00 H new ATOM 1452 N PHE A 92 0.051 12.077 -5.604 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.083 12.356 -4.184 1.00 0.00 C ATOM 1454 C PHE A 92 -0.080 11.045 -3.413 1.00 0.00 C ATOM 1455 O PHE A 92 -0.464 10.014 -3.963 1.00 0.00 O ATOM 1456 CB PHE A 92 -1.373 13.136 -3.899 1.00 0.00 C ATOM 1457 CG PHE A 92 -1.338 14.563 -4.369 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -0.709 15.536 -3.609 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -1.926 14.931 -5.568 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -0.672 16.850 -4.034 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -1.892 16.243 -5.998 1.00 0.00 C ATOM 1462 CZ PHE A 92 -1.263 17.204 -5.232 1.00 0.00 C ATOM 0 H PHE A 92 -0.537 11.312 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 92 0.758 12.971 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.208 12.626 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.565 13.122 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.242 15.264 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.417 14.183 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.182 17.600 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.357 16.517 -6.933 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.233 18.230 -5.568 1.00 0.00 H new ATOM 1472 N PRO A 93 0.366 11.065 -2.145 1.00 0.00 N ATOM 1473 CA PRO A 93 0.452 9.860 -1.314 1.00 0.00 C ATOM 1474 C PRO A 93 -0.888 9.137 -1.200 1.00 0.00 C ATOM 1475 O PRO A 93 -1.774 9.544 -0.444 1.00 0.00 O ATOM 1476 CB PRO A 93 0.907 10.384 0.056 1.00 0.00 C ATOM 1477 CG PRO A 93 0.657 11.853 0.018 1.00 0.00 C ATOM 1478 CD PRO A 93 0.821 12.258 -1.417 1.00 0.00 C ATOM 0 HA PRO A 93 1.134 9.125 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.348 9.911 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.961 10.169 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.344 12.089 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.360 12.386 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.221 13.134 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.856 12.505 -1.652 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.032 8.077 -1.978 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.252 7.296 -2.000 1.00 0.00 C ATOM 1488 C ALA A 94 -1.944 5.844 -2.328 1.00 0.00 C ATOM 1489 O ALA A 94 -0.791 5.485 -2.577 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.234 7.876 -3.010 1.00 0.00 C ATOM 0 H ALA A 94 -0.307 7.736 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.710 7.336 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.146 7.279 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.475 8.903 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.785 7.862 -4.003 1.00 0.00 H new ATOM 1496 N THR A 95 -2.970 5.013 -2.322 1.00 0.00 N ATOM 1497 CA THR A 95 -2.810 3.605 -2.630 1.00 0.00 C ATOM 1498 C THR A 95 -3.903 3.162 -3.590 1.00 0.00 C ATOM 1499 O THR A 95 -5.080 3.451 -3.370 1.00 0.00 O ATOM 1500 CB THR A 95 -2.878 2.752 -1.352 1.00 0.00 C ATOM 1501 OG1 THR A 95 -2.075 3.356 -0.331 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.389 1.335 -1.617 1.00 0.00 C ATOM 0 H THR A 95 -3.927 5.291 -2.106 1.00 0.00 H new ATOM 0 HA THR A 95 -1.832 3.465 -3.091 1.00 0.00 H new ATOM 0 HB THR A 95 -3.916 2.701 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.119 2.813 0.484 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.447 0.752 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.014 0.871 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.356 1.365 -1.963 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.517 2.484 -4.656 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.484 1.991 -5.625 1.00 0.00 C ATOM 1512 C LEU A 96 -4.906 0.570 -5.280 1.00 0.00 C ATOM 1513 O LEU A 96 -4.088 -0.240 -4.844 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.906 2.026 -7.038 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.619 3.416 -7.601 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.961 3.303 -8.963 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.896 4.236 -7.700 1.00 0.00 C ATOM 0 H LEU A 96 -2.546 2.262 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.357 2.643 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.979 1.452 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.601 1.519 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.938 3.927 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.761 4.300 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.023 2.755 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.625 2.772 -9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.665 5.222 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.603 3.731 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.337 4.344 -6.709 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.182 0.274 -5.486 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.726 -1.036 -5.164 1.00 0.00 C ATOM 1531 C VAL A 97 -6.825 -1.891 -6.417 1.00 0.00 C ATOM 1532 O VAL A 97 -7.575 -1.568 -7.340 1.00 0.00 O ATOM 1533 CB VAL A 97 -8.130 -0.933 -4.533 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.603 -2.297 -4.055 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -8.142 0.069 -3.395 1.00 0.00 C ATOM 0 H VAL A 97 -6.861 0.927 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.047 -1.494 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.820 -0.579 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.595 -2.204 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.645 -2.984 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.908 -2.682 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.143 0.122 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.436 -0.245 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.856 1.051 -3.772 1.00 0.00 H new ATOM 1545 N PHE A 98 -6.068 -2.976 -6.451 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.111 -3.895 -7.572 1.00 0.00 C ATOM 1547 C PHE A 98 -6.707 -5.216 -7.129 1.00 0.00 C ATOM 1548 O PHE A 98 -6.170 -5.893 -6.257 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.712 -4.096 -8.159 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.141 -2.839 -8.743 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.468 -1.931 -7.942 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.293 -2.554 -10.087 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.957 -0.766 -8.475 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.779 -1.392 -10.623 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.114 -0.497 -9.818 1.00 0.00 C ATOM 0 H PHE A 98 -5.416 -3.240 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.742 -3.472 -8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.045 -4.464 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.754 -4.864 -8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.342 -2.137 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.820 -3.249 -10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.434 -0.065 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.899 -1.185 -11.676 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.715 0.415 -10.237 1.00 0.00 H new ATOM 1565 N THR A 99 -7.838 -5.550 -7.715 1.00 0.00 N ATOM 1566 CA THR A 99 -8.559 -6.763 -7.383 1.00 0.00 C ATOM 1567 C THR A 99 -9.223 -7.328 -8.630 1.00 0.00 C ATOM 1568 O THR A 99 -9.540 -6.575 -9.556 1.00 0.00 O ATOM 1569 CB THR A 99 -9.627 -6.500 -6.304 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.183 -5.191 -6.483 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.043 -6.621 -4.904 1.00 0.00 C ATOM 0 H THR A 99 -8.285 -4.986 -8.438 1.00 0.00 H new ATOM 0 HA THR A 99 -7.843 -7.484 -6.988 1.00 0.00 H new ATOM 0 HB THR A 99 -10.409 -7.252 -6.412 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.863 -5.028 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.823 -6.430 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.647 -7.626 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.240 -5.894 -4.780 1.00 0.00 H new ATOM 1579 N ASP A 100 -9.403 -8.648 -8.658 1.00 0.00 N ATOM 1580 CA ASP A 100 -10.028 -9.343 -9.792 1.00 0.00 C ATOM 1581 C ASP A 100 -9.060 -9.381 -10.964 1.00 0.00 C ATOM 1582 O ASP A 100 -9.420 -9.738 -12.086 1.00 0.00 O ATOM 1583 CB ASP A 100 -11.326 -8.642 -10.216 1.00 0.00 C ATOM 1584 CG ASP A 100 -12.315 -9.555 -10.913 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.263 -9.671 -12.154 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -13.172 -10.139 -10.221 1.00 0.00 O ATOM 0 H ASP A 100 -9.122 -9.268 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.271 -10.360 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.801 -8.213 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.080 -7.813 -10.880 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.818 -9.020 -10.690 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.830 -8.920 -11.736 1.00 0.00 C ATOM 1593 C GLY A 101 -6.797 -7.543 -12.366 1.00 0.00 C ATOM 1594 O GLY A 101 -5.946 -7.267 -13.213 1.00 0.00 O ATOM 0 H GLY A 101 -7.477 -8.794 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.847 -9.154 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.041 -9.664 -12.504 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.714 -6.671 -11.958 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.820 -5.345 -12.558 1.00 0.00 C ATOM 1600 C LYS A 102 -7.799 -4.246 -11.502 1.00 0.00 C ATOM 1601 O LYS A 102 -7.786 -4.514 -10.304 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.105 -5.244 -13.384 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.204 -6.281 -14.490 1.00 0.00 C ATOM 1604 CD LYS A 102 -10.479 -6.117 -15.297 1.00 0.00 C ATOM 1605 CE LYS A 102 -10.641 -7.230 -16.319 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.877 -7.063 -17.127 1.00 0.00 N ATOM 0 H LYS A 102 -8.391 -6.857 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.955 -5.205 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.963 -5.351 -12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.166 -4.249 -13.825 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.341 -6.193 -15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.173 -7.281 -14.056 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.337 -6.111 -14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.467 -5.153 -15.806 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.774 -7.245 -16.980 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.669 -8.192 -15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.952 -7.842 -17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.706 -7.074 -16.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.839 -6.157 -17.636 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.789 -3.004 -11.963 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.832 -1.855 -11.069 1.00 0.00 C ATOM 1622 C LEU A 103 -9.265 -1.602 -10.610 1.00 0.00 C ATOM 1623 O LEU A 103 -10.180 -1.498 -11.429 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.264 -0.614 -11.773 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.273 0.680 -10.951 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.461 0.525 -9.675 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.742 1.836 -11.784 1.00 0.00 C ATOM 0 H LEU A 103 -7.751 -2.765 -12.954 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.219 -2.065 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.237 -0.826 -12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.833 -0.446 -12.687 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.303 0.895 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.485 1.458 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.885 -0.275 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.429 0.281 -9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.754 2.749 -11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.720 1.620 -12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.371 1.969 -12.664 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.456 -1.529 -9.301 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.779 -1.309 -8.730 1.00 0.00 C ATOM 1641 C ARG A 104 -10.961 0.163 -8.378 1.00 0.00 C ATOM 1642 O ARG A 104 -12.056 0.710 -8.481 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.959 -2.163 -7.471 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.349 -2.758 -7.326 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.597 -3.820 -8.385 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.839 -4.556 -8.159 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.941 -5.881 -8.261 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -12.858 -6.612 -8.491 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -15.117 -6.479 -8.111 1.00 0.00 N ATOM 0 H ARG A 104 -8.710 -1.619 -8.611 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.528 -1.596 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.228 -2.971 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.743 -1.552 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.460 -3.195 -6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.097 -1.970 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.632 -3.348 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.761 -4.519 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.674 -4.026 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.949 -6.160 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.934 -7.626 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.950 -5.924 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.187 -7.493 -8.191 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.871 0.793 -7.963 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.917 2.183 -7.568 1.00 0.00 C ATOM 1665 C GLY A 105 -8.747 2.543 -6.679 1.00 0.00 C ATOM 1666 O GLY A 105 -7.624 2.107 -6.924 1.00 0.00 O ATOM 0 H GLY A 105 -8.950 0.361 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.910 2.816 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.851 2.383 -7.042 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.011 3.312 -5.636 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.969 3.745 -4.718 1.00 0.00 C ATOM 1672 C ALA A 106 -8.531 3.880 -3.311 1.00 0.00 C ATOM 1673 O ALA A 106 -9.748 3.892 -3.128 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.380 5.071 -5.177 1.00 0.00 C ATOM 0 H ALA A 106 -9.944 3.651 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.178 2.995 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.601 5.384 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.951 4.954 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.165 5.827 -5.207 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.652 3.973 -2.323 1.00 0.00 N ATOM 1681 CA LEU A 107 -8.083 4.182 -0.947 1.00 0.00 C ATOM 1682 C LEU A 107 -8.353 5.661 -0.708 1.00 0.00 C ATOM 1683 O LEU A 107 -7.531 6.369 -0.127 1.00 0.00 O ATOM 1684 CB LEU A 107 -7.043 3.672 0.068 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.923 2.151 0.216 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.288 1.517 0.440 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -6.226 1.533 -0.986 1.00 0.00 C ATOM 0 H LEU A 107 -6.642 3.908 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.998 3.609 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.067 4.066 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.284 4.092 1.044 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.309 1.950 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.176 0.438 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.733 1.923 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.935 1.736 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.156 0.454 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.797 1.750 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.224 1.952 -1.081 1.00 0.00 H new ATOM 1699 N SER A 108 -9.489 6.131 -1.193 1.00 0.00 N ATOM 1700 CA SER A 108 -9.864 7.523 -1.036 1.00 0.00 C ATOM 1701 C SER A 108 -10.562 7.753 0.303 1.00 0.00 C ATOM 1702 O SER A 108 -11.777 7.958 0.368 1.00 0.00 O ATOM 1703 CB SER A 108 -10.741 7.964 -2.210 1.00 0.00 C ATOM 1704 OG SER A 108 -11.663 6.948 -2.575 1.00 0.00 O ATOM 0 H SER A 108 -10.169 5.565 -1.701 1.00 0.00 H new ATOM 0 HA SER A 108 -8.961 8.133 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.283 8.871 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.111 8.211 -3.065 1.00 0.00 H new ATOM 0 HG SER A 108 -12.211 7.258 -3.326 1.00 0.00 H new ATOM 1710 N GLY A 109 -9.775 7.689 1.369 1.00 0.00 N ATOM 1711 CA GLY A 109 -10.296 7.911 2.701 1.00 0.00 C ATOM 1712 C GLY A 109 -9.792 9.211 3.290 1.00 0.00 C ATOM 1713 O GLY A 109 -9.245 10.050 2.574 1.00 0.00 O ATOM 0 H GLY A 109 -8.776 7.485 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.385 7.925 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.007 7.082 3.348 1.00 0.00 H new ATOM 1717 N ILE A 110 -9.969 9.386 4.590 1.00 0.00 N ATOM 1718 CA ILE A 110 -9.551 10.616 5.244 1.00 0.00 C ATOM 1719 C ILE A 110 -8.282 10.410 6.058 1.00 0.00 C ATOM 1720 O ILE A 110 -7.258 11.038 5.785 1.00 0.00 O ATOM 1721 CB ILE A 110 -10.663 11.188 6.150 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -11.909 11.500 5.318 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -10.179 12.436 6.878 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -11.660 12.472 4.183 1.00 0.00 C ATOM 0 H ILE A 110 -10.396 8.697 5.210 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.346 11.336 4.452 1.00 0.00 H new ATOM 0 HB ILE A 110 -10.920 10.439 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.302 10.570 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.678 11.910 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.979 12.822 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.317 12.185 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.895 13.195 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -12.589 12.643 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.296 13.417 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.915 12.056 3.505 1.00 0.00 H new ATOM 1736 N HIS A 111 -8.338 9.525 7.050 1.00 0.00 N ATOM 1737 CA HIS A 111 -7.202 9.347 7.954 1.00 0.00 C ATOM 1738 C HIS A 111 -7.340 8.096 8.839 1.00 0.00 C ATOM 1739 O HIS A 111 -6.418 7.280 8.887 1.00 0.00 O ATOM 1740 CB HIS A 111 -7.025 10.590 8.835 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.658 10.727 9.432 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -4.843 11.812 9.190 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.959 9.916 10.265 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -3.708 11.664 9.844 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -3.751 10.525 10.504 1.00 0.00 N ATOM 0 H HIS A 111 -9.142 8.929 7.248 1.00 0.00 H new ATOM 0 HA HIS A 111 -6.320 9.207 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -7.240 11.477 8.240 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -7.760 10.560 9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.290 8.969 10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.882 12.360 9.839 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.008 10.155 11.097 1.00 0.00 H new ATOM 1754 N PRO A 112 -8.463 7.931 9.579 1.00 0.00 N ATOM 1755 CA PRO A 112 -8.610 6.824 10.529 1.00 0.00 C ATOM 1756 C PRO A 112 -9.090 5.526 9.877 1.00 0.00 C ATOM 1757 O PRO A 112 -8.996 5.352 8.664 1.00 0.00 O ATOM 1758 CB PRO A 112 -9.666 7.357 11.493 1.00 0.00 C ATOM 1759 CG PRO A 112 -10.544 8.216 10.650 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.672 8.785 9.560 1.00 0.00 C ATOM 0 HA PRO A 112 -7.661 6.556 10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.229 6.545 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -9.212 7.928 12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.363 7.635 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -10.992 9.013 11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.170 8.748 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.425 9.829 9.752 1.00 0.00 H new ATOM 1768 N TRP A 113 -9.593 4.613 10.700 1.00 0.00 N ATOM 1769 CA TRP A 113 -10.119 3.350 10.210 1.00 0.00 C ATOM 1770 C TRP A 113 -11.634 3.324 10.391 1.00 0.00 C ATOM 1771 O TRP A 113 -12.151 2.743 11.345 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.465 2.174 10.957 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.701 0.826 10.331 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -10.905 0.244 10.051 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.700 -0.121 9.934 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.716 -0.997 9.492 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.369 -1.244 9.411 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.303 -0.123 9.964 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.687 -2.358 8.927 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.629 -1.230 9.482 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.320 -2.332 8.968 1.00 0.00 C ATOM 0 H TRP A 113 -9.646 4.727 11.712 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.887 3.251 9.150 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.391 2.350 11.015 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -9.841 2.156 11.980 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.868 0.695 10.242 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.455 -1.630 9.187 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.760 0.724 10.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.219 -3.212 8.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.549 -1.244 9.503 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.763 -3.179 8.596 1.00 0.00 H new ATOM 1792 N ALA A 114 -12.344 4.004 9.508 1.00 0.00 N ATOM 1793 CA ALA A 114 -13.799 4.005 9.545 1.00 0.00 C ATOM 1794 C ALA A 114 -14.363 3.941 8.137 1.00 0.00 C ATOM 1795 O ALA A 114 -15.233 3.124 7.833 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.308 5.239 10.274 1.00 0.00 C ATOM 0 H ALA A 114 -11.939 4.562 8.757 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.136 3.123 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.398 5.226 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.926 5.242 11.295 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.965 6.135 9.756 1.00 0.00 H new ATOM 1802 N GLU A 115 -13.821 4.785 7.273 1.00 0.00 N ATOM 1803 CA GLU A 115 -14.232 4.851 5.882 1.00 0.00 C ATOM 1804 C GLU A 115 -13.824 3.581 5.152 1.00 0.00 C ATOM 1805 O GLU A 115 -14.472 3.172 4.191 1.00 0.00 O ATOM 1806 CB GLU A 115 -13.619 6.080 5.193 1.00 0.00 C ATOM 1807 CG GLU A 115 -12.095 6.165 5.279 1.00 0.00 C ATOM 1808 CD GLU A 115 -11.596 6.761 6.586 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -11.641 6.062 7.618 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -11.169 7.935 6.580 1.00 0.00 O ATOM 0 H GLU A 115 -13.082 5.444 7.518 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.318 4.943 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.911 6.074 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -14.045 6.979 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.676 5.166 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.725 6.767 4.449 1.00 0.00 H new ATOM 1817 N LEU A 116 -12.756 2.952 5.635 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.254 1.717 5.048 1.00 0.00 C ATOM 1819 C LEU A 116 -13.335 0.647 4.976 1.00 0.00 C ATOM 1820 O LEU A 116 -13.408 -0.094 4.000 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.054 1.193 5.839 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.737 1.925 5.580 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.652 1.425 6.521 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -9.308 1.746 4.129 1.00 0.00 C ATOM 0 H LEU A 116 -12.219 3.282 6.437 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.939 1.947 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.284 1.256 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.917 0.137 5.605 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.890 2.988 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.723 1.958 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.956 1.601 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.499 0.357 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.369 2.273 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.172 0.685 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.076 2.152 3.470 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.183 0.586 5.996 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.243 -0.415 6.053 1.00 0.00 C ATOM 1838 C LEU A 117 -16.229 -0.224 4.906 1.00 0.00 C ATOM 1839 O LEU A 117 -16.623 -1.183 4.242 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.977 -0.339 7.393 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.105 -0.578 8.632 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.932 -0.442 9.903 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.446 -1.948 8.568 1.00 0.00 C ATOM 0 H LEU A 117 -14.158 1.218 6.796 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.786 -1.400 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.441 0.644 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.783 -1.073 7.389 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.321 0.179 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.296 -0.615 10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.354 0.561 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.739 -1.175 9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.832 -2.098 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.215 -2.720 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.819 -2.009 7.679 1.00 0.00 H new ATOM 1855 N THR A 118 -16.610 1.022 4.670 1.00 0.00 N ATOM 1856 CA THR A 118 -17.540 1.352 3.604 1.00 0.00 C ATOM 1857 C THR A 118 -16.887 1.172 2.232 1.00 0.00 C ATOM 1858 O THR A 118 -17.493 0.617 1.311 1.00 0.00 O ATOM 1859 CB THR A 118 -18.034 2.803 3.750 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.459 3.034 5.099 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.184 3.085 2.794 1.00 0.00 C ATOM 0 H THR A 118 -16.286 1.826 5.208 1.00 0.00 H new ATOM 0 HA THR A 118 -18.389 0.672 3.681 1.00 0.00 H new ATOM 0 HB THR A 118 -17.211 3.474 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.771 3.958 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.515 4.116 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.850 2.931 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.012 2.410 3.012 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.646 1.635 2.109 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.905 1.544 0.857 1.00 0.00 C ATOM 1871 C LEU A 119 -14.683 0.097 0.437 1.00 0.00 C ATOM 1872 O LEU A 119 -14.998 -0.285 -0.690 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.552 2.239 1.013 1.00 0.00 C ATOM 1874 CG LEU A 119 -13.524 3.740 0.718 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -13.518 3.988 -0.782 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.702 4.458 1.362 1.00 0.00 C ATOM 0 H LEU A 119 -15.130 2.080 2.868 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.495 2.034 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.203 2.084 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.837 1.747 0.354 1.00 0.00 H new ATOM 0 HG LEU A 119 -12.608 4.143 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -13.498 5.061 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.636 3.524 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -14.416 3.557 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.650 5.522 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -15.634 4.048 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -14.666 4.319 2.442 1.00 0.00 H new ATOM 1888 N MET A 120 -14.170 -0.712 1.356 1.00 0.00 N ATOM 1889 CA MET A 120 -13.835 -2.098 1.041 1.00 0.00 C ATOM 1890 C MET A 120 -15.088 -2.904 0.714 1.00 0.00 C ATOM 1891 O MET A 120 -15.040 -3.818 -0.101 1.00 0.00 O ATOM 1892 CB MET A 120 -13.039 -2.759 2.185 1.00 0.00 C ATOM 1893 CG MET A 120 -13.830 -3.025 3.461 1.00 0.00 C ATOM 1894 SD MET A 120 -14.751 -4.580 3.420 1.00 0.00 S ATOM 1895 CE MET A 120 -15.550 -4.544 5.023 1.00 0.00 C ATOM 0 H MET A 120 -13.977 -0.436 2.319 1.00 0.00 H new ATOM 0 HA MET A 120 -13.198 -2.089 0.156 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.634 -3.705 1.824 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.190 -2.121 2.430 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.145 -3.039 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 120 -14.526 -2.203 3.627 1.00 0.00 H new ATOM 0 HE1 MET A 120 -16.157 -5.441 5.147 1.00 0.00 H new ATOM 0 HE2 MET A 120 -14.793 -4.507 5.806 1.00 0.00 H new ATOM 0 HE3 MET A 120 -16.187 -3.662 5.092 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.212 -2.532 1.319 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.469 -3.250 1.126 1.00 0.00 C ATOM 1907 C ARG A 121 -17.863 -3.281 -0.351 1.00 0.00 C ATOM 1908 O ARG A 121 -18.334 -4.300 -0.859 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.572 -2.593 1.956 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.905 -3.323 1.907 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.902 -2.707 2.877 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.445 -2.813 4.262 1.00 0.00 N ATOM 1913 CZ ARG A 121 -20.507 -1.819 5.149 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.005 -0.638 4.806 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -20.068 -2.008 6.384 1.00 0.00 N ATOM 0 H ARG A 121 -16.279 -1.734 1.950 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.334 -4.279 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.243 -2.530 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.716 -1.571 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.307 -3.285 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -19.757 -4.375 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.056 -1.658 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.866 -3.205 2.773 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.054 -3.704 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.345 -0.484 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.048 0.116 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -19.683 -2.913 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.115 -1.249 7.064 1.00 0.00 H new ATOM 1929 N SER A 122 -17.665 -2.158 -1.031 1.00 0.00 N ATOM 1930 CA SER A 122 -17.984 -2.053 -2.448 1.00 0.00 C ATOM 1931 C SER A 122 -16.919 -2.754 -3.294 1.00 0.00 C ATOM 1932 O SER A 122 -17.226 -3.349 -4.332 1.00 0.00 O ATOM 1933 CB SER A 122 -18.111 -0.578 -2.852 1.00 0.00 C ATOM 1934 OG SER A 122 -18.487 -0.440 -4.213 1.00 0.00 O ATOM 0 H SER A 122 -17.284 -1.305 -0.622 1.00 0.00 H new ATOM 0 HA SER A 122 -18.939 -2.547 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.851 -0.089 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.161 -0.071 -2.683 1.00 0.00 H new ATOM 0 HG SER A 122 -18.561 0.511 -4.437 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.672 -2.692 -2.832 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.544 -3.256 -3.569 1.00 0.00 C ATOM 1942 C ILE A 123 -14.546 -4.782 -3.516 1.00 0.00 C ATOM 1943 O ILE A 123 -14.452 -5.453 -4.547 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.201 -2.719 -3.021 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.139 -1.198 -3.184 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.026 -3.382 -3.730 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.905 -0.569 -2.576 1.00 0.00 C ATOM 0 H ILE A 123 -15.417 -2.255 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.654 -2.947 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.136 -2.961 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.174 -0.954 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.024 -0.756 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.091 -2.990 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.066 -4.460 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.080 -3.171 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.932 0.510 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.878 -0.781 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.015 -0.982 -3.051 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.678 -5.327 -2.320 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.694 -6.764 -2.142 1.00 0.00 C ATOM 1961 C VAL A 124 -16.135 -7.234 -1.982 1.00 0.00 C ATOM 1962 O VAL A 124 -16.578 -7.648 -0.912 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.791 -7.224 -0.968 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.350 -6.843 -1.244 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -14.227 -6.642 0.366 1.00 0.00 C ATOM 0 H VAL A 124 -14.776 -4.793 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.270 -7.230 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.886 -8.308 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.722 -7.169 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.016 -7.324 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.274 -5.761 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.561 -6.996 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -14.186 -5.554 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -15.247 -6.958 0.585 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.854 -7.101 -3.090 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.286 -7.410 -3.191 1.00 0.00 C ATOM 1977 C ASP A 125 -18.685 -8.664 -2.413 1.00 0.00 C ATOM 1978 O ASP A 125 -19.667 -8.649 -1.667 1.00 0.00 O ATOM 1979 CB ASP A 125 -18.661 -7.579 -4.666 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.143 -7.810 -4.881 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -20.575 -8.985 -4.892 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.882 -6.822 -5.069 1.00 0.00 O ATOM 0 H ASP A 125 -16.454 -6.768 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.829 -6.577 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.355 -6.690 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.105 -8.419 -5.082 1.00 0.00 H new