USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 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 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 63:sc= 1.1 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.144 F(o=-1,f=-0.14) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 26 THR OG1 : rot -38:sc= 0.829 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.877) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 151:sc= -0.159 (180deg=-1.37!) USER MOD Single : A 67 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.2) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.69! C(o=-4!,f=-2.7!) USER MOD Single : A 79 GLN : amide:sc=0.000736 K(o=0.00074,f=-4.8!) USER MOD Single : A 80 SER OG : rot -95:sc= 0.232 USER MOD Single : A 88 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.19) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.661) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= 0.541 K(o=0.54,f=-1.8!) USER MOD Single : A 118 THR OG1 : rot 71:sc= 0.172 USER MOD Single : A 120 MET CE :methyl 155:sc= -0.268 (180deg=-1.12) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 13.460 2.074 7.345 1.00 0.00 N ATOM 126 CA LEU A 10 12.297 1.204 7.218 1.00 0.00 C ATOM 127 C LEU A 10 12.259 0.613 5.810 1.00 0.00 C ATOM 128 O LEU A 10 12.003 -0.575 5.624 1.00 0.00 O ATOM 129 CB LEU A 10 11.019 2.002 7.521 1.00 0.00 C ATOM 130 CG LEU A 10 9.787 1.184 7.944 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.184 0.425 6.770 1.00 0.00 C ATOM 132 CD2 LEU A 10 10.148 0.221 9.068 1.00 0.00 C ATOM 0 HA LEU A 10 12.363 0.385 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.242 2.717 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.758 2.579 6.634 1.00 0.00 H new ATOM 0 HG LEU A 10 9.035 1.886 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.316 -0.140 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.878 1.132 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.926 -0.260 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.265 -0.350 9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.926 -0.461 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.511 0.785 9.927 1.00 0.00 H new ATOM 144 N TRP A 11 12.549 1.457 4.827 1.00 0.00 N ATOM 145 CA TRP A 11 12.623 1.035 3.432 1.00 0.00 C ATOM 146 C TRP A 11 13.729 -0.011 3.275 1.00 0.00 C ATOM 147 O TRP A 11 13.574 -0.998 2.556 1.00 0.00 O ATOM 148 CB TRP A 11 12.892 2.265 2.556 1.00 0.00 C ATOM 149 CG TRP A 11 12.667 2.099 1.071 1.00 0.00 C ATOM 150 CD1 TRP A 11 13.122 2.951 0.106 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.942 1.062 0.372 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.729 2.522 -1.134 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.012 1.368 -1.003 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.248 -0.089 0.761 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.416 0.575 -1.979 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.657 -0.876 -0.213 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.747 -0.541 -1.570 1.00 0.00 C ATOM 0 H TRP A 11 12.739 2.449 4.972 1.00 0.00 H new ATOM 0 HA TRP A 11 11.682 0.582 3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.258 3.079 2.908 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.925 2.575 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.709 3.838 0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.939 2.991 -2.015 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.174 -0.359 1.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.481 0.835 -3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.117 -1.764 0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.278 -1.178 -2.306 1.00 0.00 H new ATOM 168 N GLN A 12 14.835 0.201 3.985 1.00 0.00 N ATOM 169 CA GLN A 12 15.940 -0.754 4.013 1.00 0.00 C ATOM 170 C GLN A 12 15.481 -2.102 4.573 1.00 0.00 C ATOM 171 O GLN A 12 15.868 -3.159 4.069 1.00 0.00 O ATOM 172 CB GLN A 12 17.092 -0.199 4.854 1.00 0.00 C ATOM 173 CG GLN A 12 18.255 -1.164 5.016 1.00 0.00 C ATOM 174 CD GLN A 12 19.368 -0.596 5.872 1.00 0.00 C ATOM 175 OE1 GLN A 12 19.374 -0.750 7.094 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.325 0.058 5.237 1.00 0.00 N ATOM 0 H GLN A 12 14.990 1.034 4.553 1.00 0.00 H new ATOM 0 HA GLN A 12 16.286 -0.908 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.456 0.719 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.713 0.068 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.894 -2.090 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.651 -1.418 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.284 0.164 4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.104 0.456 5.761 1.00 0.00 H new ATOM 185 N ARG A 13 14.654 -2.056 5.611 1.00 0.00 N ATOM 186 CA ARG A 13 14.108 -3.268 6.212 1.00 0.00 C ATOM 187 C ARG A 13 13.276 -4.049 5.200 1.00 0.00 C ATOM 188 O ARG A 13 13.376 -5.272 5.115 1.00 0.00 O ATOM 189 CB ARG A 13 13.242 -2.929 7.427 1.00 0.00 C ATOM 190 CG ARG A 13 14.023 -2.394 8.617 1.00 0.00 C ATOM 191 CD ARG A 13 14.992 -3.433 9.160 1.00 0.00 C ATOM 192 NE ARG A 13 15.596 -2.997 10.416 1.00 0.00 N ATOM 193 CZ ARG A 13 16.186 -3.811 11.290 1.00 0.00 C ATOM 194 NH1 ARG A 13 16.312 -5.108 11.023 1.00 0.00 N ATOM 195 NH2 ARG A 13 16.652 -3.322 12.433 1.00 0.00 N ATOM 0 H ARG A 13 14.346 -1.191 6.055 1.00 0.00 H new ATOM 0 HA ARG A 13 14.948 -3.884 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.497 -2.190 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.700 -3.823 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.574 -1.501 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.330 -2.095 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.467 -4.375 9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.774 -3.622 8.425 1.00 0.00 H new ATOM 0 HE ARG A 13 15.564 -2.002 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.956 -5.485 10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.765 -5.726 11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.557 -2.327 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.105 -3.941 13.106 1.00 0.00 H new ATOM 209 N LEU A 14 12.465 -3.334 4.430 1.00 0.00 N ATOM 210 CA LEU A 14 11.629 -3.964 3.413 1.00 0.00 C ATOM 211 C LEU A 14 12.498 -4.555 2.309 1.00 0.00 C ATOM 212 O LEU A 14 12.234 -5.647 1.816 1.00 0.00 O ATOM 213 CB LEU A 14 10.638 -2.951 2.832 1.00 0.00 C ATOM 214 CG LEU A 14 9.774 -2.225 3.865 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.813 -1.268 3.180 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.009 -3.217 4.728 1.00 0.00 C ATOM 0 H LEU A 14 12.368 -2.320 4.489 1.00 0.00 H new ATOM 0 HA LEU A 14 11.062 -4.770 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.194 -2.209 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.982 -3.468 2.131 1.00 0.00 H new ATOM 0 HG LEU A 14 10.435 -1.649 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.207 -0.761 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.378 -0.530 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.163 -1.826 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.403 -2.676 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.362 -3.825 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.714 -3.862 5.253 1.00 0.00 H new ATOM 228 N LEU A 15 13.556 -3.838 1.946 1.00 0.00 N ATOM 229 CA LEU A 15 14.509 -4.326 0.956 1.00 0.00 C ATOM 230 C LEU A 15 15.234 -5.569 1.466 1.00 0.00 C ATOM 231 O LEU A 15 15.693 -6.400 0.680 1.00 0.00 O ATOM 232 CB LEU A 15 15.521 -3.235 0.603 1.00 0.00 C ATOM 233 CG LEU A 15 14.932 -1.995 -0.070 1.00 0.00 C ATOM 234 CD1 LEU A 15 16.017 -0.962 -0.324 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.235 -2.369 -1.373 1.00 0.00 C ATOM 0 H LEU A 15 13.775 -2.916 2.323 1.00 0.00 H new ATOM 0 HA LEU A 15 13.954 -4.595 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.031 -2.926 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.277 -3.662 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 15 14.191 -1.561 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.580 -0.086 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.470 -0.669 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.781 -1.389 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.823 -1.472 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.954 -2.830 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.429 -3.073 -1.166 1.00 0.00 H new ATOM 247 N THR A 16 15.345 -5.682 2.785 1.00 0.00 N ATOM 248 CA THR A 16 15.919 -6.865 3.403 1.00 0.00 C ATOM 249 C THR A 16 15.003 -8.067 3.162 1.00 0.00 C ATOM 250 O THR A 16 15.456 -9.130 2.726 1.00 0.00 O ATOM 251 CB THR A 16 16.125 -6.661 4.920 1.00 0.00 C ATOM 252 OG1 THR A 16 16.931 -5.496 5.158 1.00 0.00 O ATOM 253 CG2 THR A 16 16.790 -7.875 5.552 1.00 0.00 C ATOM 0 H THR A 16 15.044 -4.966 3.445 1.00 0.00 H new ATOM 0 HA THR A 16 16.894 -7.047 2.950 1.00 0.00 H new ATOM 0 HB THR A 16 15.144 -6.526 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.466 -4.702 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.922 -7.703 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 16 16.162 -8.753 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.762 -8.040 5.088 1.00 0.00 H new ATOM 261 N ARG A 17 13.713 -7.879 3.435 1.00 0.00 N ATOM 262 CA ARG A 17 12.701 -8.895 3.164 1.00 0.00 C ATOM 263 C ARG A 17 11.302 -8.342 3.406 1.00 0.00 C ATOM 264 O ARG A 17 10.931 -8.053 4.543 1.00 0.00 O ATOM 265 CB ARG A 17 12.902 -10.141 4.034 1.00 0.00 C ATOM 266 CG ARG A 17 11.848 -11.204 3.784 1.00 0.00 C ATOM 267 CD ARG A 17 11.963 -12.370 4.750 1.00 0.00 C ATOM 268 NE ARG A 17 10.862 -13.314 4.570 1.00 0.00 N ATOM 269 CZ ARG A 17 10.346 -14.066 5.540 1.00 0.00 C ATOM 270 NH1 ARG A 17 10.873 -14.049 6.761 1.00 0.00 N ATOM 271 NH2 ARG A 17 9.307 -14.851 5.281 1.00 0.00 N ATOM 0 H ARG A 17 13.343 -7.023 3.848 1.00 0.00 H new ATOM 0 HA ARG A 17 12.808 -9.178 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.889 -10.560 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.880 -9.853 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.857 -10.758 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.941 -11.571 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.913 -12.881 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.963 -11.998 5.775 1.00 0.00 H new ATOM 0 HE ARG A 17 10.461 -13.403 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.679 -13.457 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.471 -14.628 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.908 -14.876 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.908 -15.429 6.020 1.00 0.00 H new ATOM 285 N GLY A 18 10.536 -8.192 2.338 1.00 0.00 N ATOM 286 CA GLY A 18 9.164 -7.755 2.473 1.00 0.00 C ATOM 287 C GLY A 18 8.746 -6.830 1.356 1.00 0.00 C ATOM 288 O GLY A 18 9.587 -6.157 0.760 1.00 0.00 O ATOM 0 H GLY A 18 10.840 -8.365 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.507 -8.625 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.039 -7.247 3.429 1.00 0.00 H new ATOM 292 N TRP A 19 7.445 -6.808 1.071 1.00 0.00 N ATOM 293 CA TRP A 19 6.883 -5.928 0.046 1.00 0.00 C ATOM 294 C TRP A 19 7.449 -6.258 -1.336 1.00 0.00 C ATOM 295 O TRP A 19 8.023 -7.329 -1.546 1.00 0.00 O ATOM 296 CB TRP A 19 7.145 -4.457 0.404 1.00 0.00 C ATOM 297 CG TRP A 19 6.392 -3.987 1.615 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.375 -4.569 2.849 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.562 -2.824 1.711 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.577 -3.849 3.702 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.069 -2.770 3.027 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.188 -1.824 0.810 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.220 -1.756 3.463 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.346 -0.818 1.244 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.871 -0.789 2.559 1.00 0.00 C ATOM 0 H TRP A 19 6.755 -7.395 1.540 1.00 0.00 H new ATOM 0 HA TRP A 19 5.806 -6.091 0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.213 -4.318 0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.874 -3.832 -0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.912 -5.467 3.116 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.392 -4.079 4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.550 -1.837 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.850 -1.733 4.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.050 -0.040 0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.216 0.012 2.868 1.00 0.00 H new ATOM 316 N GLN A 20 7.265 -5.347 -2.280 1.00 0.00 N ATOM 317 CA GLN A 20 7.739 -5.548 -3.638 1.00 0.00 C ATOM 318 C GLN A 20 7.995 -4.201 -4.306 1.00 0.00 C ATOM 319 O GLN A 20 7.061 -3.441 -4.558 1.00 0.00 O ATOM 320 CB GLN A 20 6.704 -6.350 -4.436 1.00 0.00 C ATOM 321 CG GLN A 20 7.097 -6.651 -5.879 1.00 0.00 C ATOM 322 CD GLN A 20 8.290 -7.582 -5.999 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.478 -7.015 -6.143 1.00 0.00 O flip ATOM 324 NE2 GLN A 20 8.141 -8.802 -5.998 1.00 0.00 N flip ATOM 0 H GLN A 20 6.788 -4.458 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 20 8.674 -6.107 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.521 -7.293 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.763 -5.800 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.246 -7.096 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.324 -5.715 -6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.210 -9.202 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.949 -9.415 -6.111 1.00 0.00 H new ATOM 333 N PRO A 21 9.271 -3.863 -4.557 1.00 0.00 N ATOM 334 CA PRO A 21 9.631 -2.671 -5.326 1.00 0.00 C ATOM 335 C PRO A 21 9.188 -2.803 -6.782 1.00 0.00 C ATOM 336 O PRO A 21 9.876 -3.419 -7.599 1.00 0.00 O ATOM 337 CB PRO A 21 11.165 -2.610 -5.226 1.00 0.00 C ATOM 338 CG PRO A 21 11.530 -3.540 -4.117 1.00 0.00 C ATOM 339 CD PRO A 21 10.458 -4.592 -4.088 1.00 0.00 C ATOM 0 HA PRO A 21 9.149 -1.770 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.632 -2.914 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.504 -1.596 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.510 -3.986 -4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.583 -3.011 -3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.699 -5.433 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.315 -4.995 -3.086 1.00 0.00 H new ATOM 347 N VAL A 22 8.025 -2.250 -7.089 1.00 0.00 N ATOM 348 CA VAL A 22 7.444 -2.388 -8.413 1.00 0.00 C ATOM 349 C VAL A 22 7.816 -1.231 -9.321 1.00 0.00 C ATOM 350 O VAL A 22 8.361 -0.218 -8.879 1.00 0.00 O ATOM 351 CB VAL A 22 5.908 -2.506 -8.356 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.497 -3.853 -7.791 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.310 -1.380 -7.529 1.00 0.00 C ATOM 0 H VAL A 22 7.465 -1.701 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 22 7.858 -3.308 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 22 5.524 -2.425 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.409 -3.917 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.889 -4.648 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.897 -3.962 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.225 -1.484 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.703 -1.426 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.572 -0.421 -7.977 1.00 0.00 H new ATOM 363 N GLU A 23 7.486 -1.397 -10.593 1.00 0.00 N ATOM 364 CA GLU A 23 7.838 -0.442 -11.630 1.00 0.00 C ATOM 365 C GLU A 23 6.765 -0.459 -12.704 1.00 0.00 C ATOM 366 O GLU A 23 6.008 -1.425 -12.809 1.00 0.00 O ATOM 367 CB GLU A 23 9.189 -0.789 -12.268 1.00 0.00 C ATOM 368 CG GLU A 23 10.360 -0.813 -11.297 1.00 0.00 C ATOM 369 CD GLU A 23 11.634 -1.306 -11.947 1.00 0.00 C ATOM 370 OE1 GLU A 23 12.370 -0.487 -12.527 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.903 -2.525 -11.884 1.00 0.00 O ATOM 0 H GLU A 23 6.963 -2.203 -10.936 1.00 0.00 H new ATOM 0 HA GLU A 23 7.913 0.547 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.110 -1.765 -12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.401 -0.065 -13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.521 0.190 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.114 -1.455 -10.451 1.00 0.00 H new ATOM 378 N ALA A 24 6.715 0.589 -13.510 1.00 0.00 N ATOM 379 CA ALA A 24 5.742 0.672 -14.592 1.00 0.00 C ATOM 380 C ALA A 24 6.084 -0.320 -15.698 1.00 0.00 C ATOM 381 O ALA A 24 5.203 -0.823 -16.392 1.00 0.00 O ATOM 382 CB ALA A 24 5.683 2.089 -15.149 1.00 0.00 C ATOM 0 H ALA A 24 7.336 1.395 -13.437 1.00 0.00 H new ATOM 0 HA ALA A 24 4.761 0.416 -14.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.952 2.133 -15.956 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.392 2.779 -14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.664 2.370 -15.533 1.00 0.00 H new ATOM 388 N SER A 25 7.368 -0.619 -15.827 1.00 0.00 N ATOM 389 CA SER A 25 7.860 -1.508 -16.869 1.00 0.00 C ATOM 390 C SER A 25 7.320 -2.934 -16.710 1.00 0.00 C ATOM 391 O SER A 25 7.138 -3.647 -17.695 1.00 0.00 O ATOM 392 CB SER A 25 9.386 -1.527 -16.831 1.00 0.00 C ATOM 393 OG SER A 25 9.895 -0.208 -16.719 1.00 0.00 O ATOM 0 H SER A 25 8.097 -0.253 -15.214 1.00 0.00 H new ATOM 0 HA SER A 25 7.508 -1.131 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.728 -2.128 -15.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.773 -1.997 -17.735 1.00 0.00 H new ATOM 0 HG SER A 25 10.874 -0.236 -16.694 1.00 0.00 H new ATOM 399 N THR A 26 7.053 -3.344 -15.473 1.00 0.00 N ATOM 400 CA THR A 26 6.640 -4.716 -15.211 1.00 0.00 C ATOM 401 C THR A 26 5.352 -4.771 -14.380 1.00 0.00 C ATOM 402 O THR A 26 4.965 -5.835 -13.892 1.00 0.00 O ATOM 403 CB THR A 26 7.767 -5.498 -14.494 1.00 0.00 C ATOM 404 OG1 THR A 26 7.418 -6.882 -14.374 1.00 0.00 O ATOM 405 CG2 THR A 26 8.042 -4.922 -13.113 1.00 0.00 C ATOM 0 H THR A 26 7.115 -2.751 -14.645 1.00 0.00 H new ATOM 0 HA THR A 26 6.439 -5.184 -16.175 1.00 0.00 H new ATOM 0 HB THR A 26 8.670 -5.404 -15.097 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.460 -6.963 -14.184 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.838 -5.491 -12.633 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.347 -3.880 -13.208 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.138 -4.981 -12.507 1.00 0.00 H new ATOM 413 N VAL A 27 4.679 -3.632 -14.243 1.00 0.00 N ATOM 414 CA VAL A 27 3.450 -3.563 -13.454 1.00 0.00 C ATOM 415 C VAL A 27 2.341 -4.391 -14.105 1.00 0.00 C ATOM 416 O VAL A 27 1.533 -5.013 -13.417 1.00 0.00 O ATOM 417 CB VAL A 27 2.978 -2.100 -13.245 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.616 -1.435 -14.566 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.802 -2.045 -12.278 1.00 0.00 C ATOM 0 H VAL A 27 4.961 -2.747 -14.665 1.00 0.00 H new ATOM 0 HA VAL A 27 3.673 -3.982 -12.473 1.00 0.00 H new ATOM 0 HB VAL A 27 3.810 -1.545 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.290 -0.412 -14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.488 -1.425 -15.219 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.810 -1.992 -15.045 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.487 -1.010 -12.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.973 -2.628 -12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.103 -2.458 -11.315 1.00 0.00 H new ATOM 429 N ASP A 28 2.334 -4.415 -15.435 1.00 0.00 N ATOM 430 CA ASP A 28 1.351 -5.182 -16.192 1.00 0.00 C ATOM 431 C ASP A 28 1.440 -6.664 -15.850 1.00 0.00 C ATOM 432 O ASP A 28 0.445 -7.291 -15.477 1.00 0.00 O ATOM 433 CB ASP A 28 1.574 -4.988 -17.694 1.00 0.00 C ATOM 434 CG ASP A 28 0.707 -5.910 -18.524 1.00 0.00 C ATOM 435 OD1 ASP A 28 -0.475 -5.582 -18.743 1.00 0.00 O ATOM 436 OD2 ASP A 28 1.202 -6.967 -18.966 1.00 0.00 O ATOM 0 H ASP A 28 3.004 -3.908 -16.014 1.00 0.00 H new ATOM 0 HA ASP A 28 0.359 -4.820 -15.923 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.360 -3.953 -17.961 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.623 -5.168 -17.930 1.00 0.00 H new ATOM 441 N ASP A 29 2.646 -7.205 -15.962 1.00 0.00 N ATOM 442 CA ASP A 29 2.895 -8.614 -15.696 1.00 0.00 C ATOM 443 C ASP A 29 2.574 -8.962 -14.251 1.00 0.00 C ATOM 444 O ASP A 29 1.958 -9.993 -13.971 1.00 0.00 O ATOM 445 CB ASP A 29 4.355 -8.953 -16.002 1.00 0.00 C ATOM 446 CG ASP A 29 4.698 -10.386 -15.653 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.076 -11.305 -16.222 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.597 -10.601 -14.813 1.00 0.00 O ATOM 0 H ASP A 29 3.476 -6.681 -16.239 1.00 0.00 H new ATOM 0 HA ASP A 29 2.244 -9.203 -16.342 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.551 -8.782 -17.061 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.006 -8.280 -15.445 1.00 0.00 H new ATOM 453 N TRP A 30 2.975 -8.082 -13.348 1.00 0.00 N ATOM 454 CA TRP A 30 2.767 -8.290 -11.924 1.00 0.00 C ATOM 455 C TRP A 30 1.277 -8.425 -11.612 1.00 0.00 C ATOM 456 O TRP A 30 0.850 -9.418 -11.026 1.00 0.00 O ATOM 457 CB TRP A 30 3.381 -7.131 -11.132 1.00 0.00 C ATOM 458 CG TRP A 30 3.572 -7.434 -9.677 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.550 -8.212 -9.127 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.773 -6.962 -8.585 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.404 -8.258 -7.761 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.322 -7.497 -7.403 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.647 -6.140 -8.491 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.783 -7.234 -6.145 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.114 -5.880 -7.242 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.681 -6.424 -6.085 1.00 0.00 C ATOM 0 H TRP A 30 3.450 -7.210 -13.579 1.00 0.00 H new ATOM 0 HA TRP A 30 3.260 -9.217 -11.629 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.345 -6.873 -11.570 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.741 -6.255 -11.231 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.325 -8.717 -9.684 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.004 -8.775 -7.118 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.201 -5.715 -9.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.219 -7.654 -5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.244 -5.245 -7.158 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.240 -6.200 -5.125 1.00 0.00 H new ATOM 477 N ILE A 31 0.491 -7.440 -12.044 1.00 0.00 N ATOM 478 CA ILE A 31 -0.949 -7.423 -11.776 1.00 0.00 C ATOM 479 C ILE A 31 -1.637 -8.645 -12.375 1.00 0.00 C ATOM 480 O ILE A 31 -2.484 -9.266 -11.734 1.00 0.00 O ATOM 481 CB ILE A 31 -1.617 -6.134 -12.318 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.036 -4.903 -11.622 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.130 -6.180 -12.135 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.211 -4.924 -10.120 1.00 0.00 C ATOM 0 H ILE A 31 0.827 -6.641 -12.582 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.067 -7.445 -10.693 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.408 -6.068 -13.386 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.026 -4.830 -11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.513 -4.009 -12.023 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.572 -5.263 -12.524 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.536 -7.036 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.366 -6.275 -11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.776 -4.022 -9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.273 -4.966 -9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.710 -5.800 -9.708 1.00 0.00 H new ATOM 496 N LYS A 32 -1.254 -9.000 -13.595 1.00 0.00 N ATOM 497 CA LYS A 32 -1.827 -10.156 -14.277 1.00 0.00 C ATOM 498 C LYS A 32 -1.546 -11.446 -13.524 1.00 0.00 C ATOM 499 O LYS A 32 -2.441 -12.263 -13.296 1.00 0.00 O ATOM 500 CB LYS A 32 -1.247 -10.277 -15.676 1.00 0.00 C ATOM 501 CG LYS A 32 -1.831 -9.305 -16.670 1.00 0.00 C ATOM 502 CD LYS A 32 -1.119 -9.415 -17.987 1.00 0.00 C ATOM 503 CE LYS A 32 -1.942 -8.860 -19.141 1.00 0.00 C ATOM 504 NZ LYS A 32 -2.291 -7.426 -18.956 1.00 0.00 N ATOM 0 H LYS A 32 -0.546 -8.502 -14.135 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.905 -10.003 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.169 -10.125 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.409 -11.292 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.893 -9.507 -16.805 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.746 -8.288 -16.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.171 -8.880 -17.930 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.883 -10.461 -18.183 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.384 -8.978 -20.070 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.857 -9.443 -19.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.621 -7.030 -19.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.045 -7.341 -18.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.451 -6.903 -18.635 1.00 0.00 H new ATOM 518 N ARG A 33 -0.288 -11.623 -13.164 1.00 0.00 N ATOM 519 CA ARG A 33 0.167 -12.863 -12.540 1.00 0.00 C ATOM 520 C ARG A 33 -0.423 -13.051 -11.148 1.00 0.00 C ATOM 521 O ARG A 33 -0.893 -14.137 -10.810 1.00 0.00 O ATOM 522 CB ARG A 33 1.687 -12.883 -12.417 1.00 0.00 C ATOM 523 CG ARG A 33 2.269 -14.284 -12.505 1.00 0.00 C ATOM 524 CD ARG A 33 3.673 -14.350 -11.933 1.00 0.00 C ATOM 525 NE ARG A 33 3.665 -14.456 -10.474 1.00 0.00 N ATOM 526 CZ ARG A 33 4.650 -14.024 -9.690 1.00 0.00 C ATOM 527 NH1 ARG A 33 5.668 -13.346 -10.209 1.00 0.00 N ATOM 528 NH2 ARG A 33 4.601 -14.250 -8.381 1.00 0.00 N ATOM 0 H ARG A 33 0.443 -10.924 -13.292 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.172 -13.673 -13.185 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.118 -12.266 -13.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.976 -12.434 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.625 -14.979 -11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.286 -14.606 -13.546 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.197 -15.207 -12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.227 -13.459 -12.229 1.00 0.00 H new ATOM 0 HE ARG A 33 2.854 -14.888 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.696 -13.155 -11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.421 -13.016 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.810 -14.753 -7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.355 -13.920 -7.778 1.00 0.00 H new ATOM 542 N VAL A 34 -0.396 -11.998 -10.342 1.00 0.00 N ATOM 543 CA VAL A 34 -0.832 -12.110 -8.953 1.00 0.00 C ATOM 544 C VAL A 34 -2.343 -11.954 -8.819 1.00 0.00 C ATOM 545 O VAL A 34 -2.970 -12.613 -7.998 1.00 0.00 O ATOM 546 CB VAL A 34 -0.117 -11.095 -8.029 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.392 -11.266 -8.108 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.512 -9.660 -8.348 1.00 0.00 C ATOM 0 H VAL A 34 -0.082 -11.068 -10.619 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.555 -13.114 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.439 -11.302 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.875 -10.543 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.661 -12.275 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.724 -11.103 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.013 -8.980 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.244 -9.430 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.588 -9.541 -8.217 1.00 0.00 H new ATOM 558 N GLY A 35 -2.918 -11.078 -9.630 1.00 0.00 N ATOM 559 CA GLY A 35 -4.349 -10.853 -9.592 1.00 0.00 C ATOM 560 C GLY A 35 -4.741 -9.839 -8.538 1.00 0.00 C ATOM 561 O GLY A 35 -5.419 -8.855 -8.831 1.00 0.00 O ATOM 0 H GLY A 35 -2.416 -10.516 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.687 -10.508 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.858 -11.796 -9.394 1.00 0.00 H new ATOM 565 N ASP A 36 -4.293 -10.080 -7.316 1.00 0.00 N ATOM 566 CA ASP A 36 -4.608 -9.208 -6.189 1.00 0.00 C ATOM 567 C ASP A 36 -3.338 -8.580 -5.630 1.00 0.00 C ATOM 568 O ASP A 36 -2.401 -9.282 -5.236 1.00 0.00 O ATOM 569 CB ASP A 36 -5.340 -9.979 -5.079 1.00 0.00 C ATOM 570 CG ASP A 36 -6.808 -10.241 -5.382 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.274 -9.892 -6.486 1.00 0.00 O ATOM 572 OD2 ASP A 36 -7.510 -10.805 -4.512 1.00 0.00 O ATOM 0 H ASP A 36 -3.705 -10.878 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.266 -8.419 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.836 -10.932 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.265 -9.417 -4.148 1.00 0.00 H new ATOM 577 N GLY A 37 -3.304 -7.257 -5.608 1.00 0.00 N ATOM 578 CA GLY A 37 -2.157 -6.549 -5.081 1.00 0.00 C ATOM 579 C GLY A 37 -2.359 -5.047 -5.075 1.00 0.00 C ATOM 580 O GLY A 37 -3.356 -4.547 -5.595 1.00 0.00 O ATOM 0 H GLY A 37 -4.056 -6.657 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.958 -6.890 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.278 -6.792 -5.677 1.00 0.00 H new ATOM 584 N VAL A 38 -1.418 -4.325 -4.486 1.00 0.00 N ATOM 585 CA VAL A 38 -1.509 -2.874 -4.414 1.00 0.00 C ATOM 586 C VAL A 38 -0.171 -2.221 -4.738 1.00 0.00 C ATOM 587 O VAL A 38 0.876 -2.669 -4.274 1.00 0.00 O ATOM 588 CB VAL A 38 -1.980 -2.389 -3.020 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.440 -2.734 -2.790 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.121 -2.980 -1.915 1.00 0.00 C ATOM 0 H VAL A 38 -0.584 -4.719 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.250 -2.577 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.872 -1.305 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.746 -2.383 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.052 -2.253 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.572 -3.814 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.475 -2.622 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.187 -4.068 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.084 -2.675 -2.057 1.00 0.00 H new ATOM 600 N ILE A 39 -0.207 -1.178 -5.557 1.00 0.00 N ATOM 601 CA ILE A 39 0.987 -0.390 -5.838 1.00 0.00 C ATOM 602 C ILE A 39 0.932 0.910 -5.038 1.00 0.00 C ATOM 603 O ILE A 39 0.035 1.733 -5.243 1.00 0.00 O ATOM 604 CB ILE A 39 1.155 -0.047 -7.350 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.495 -1.288 -8.194 1.00 0.00 C ATOM 606 CG2 ILE A 39 2.237 1.008 -7.545 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.352 -2.267 -8.358 1.00 0.00 C ATOM 0 H ILE A 39 -1.048 -0.858 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 39 1.844 -0.998 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 39 0.196 0.342 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.822 -0.962 -9.181 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.337 -1.805 -7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.339 1.233 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.962 1.915 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.185 0.632 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.680 -3.110 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.037 -2.626 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.485 -1.770 -8.848 1.00 0.00 H new ATOM 619 N LEU A 40 1.860 1.072 -4.108 1.00 0.00 N ATOM 620 CA LEU A 40 1.942 2.290 -3.320 1.00 0.00 C ATOM 621 C LEU A 40 2.771 3.330 -4.070 1.00 0.00 C ATOM 622 O LEU A 40 3.938 3.095 -4.403 1.00 0.00 O ATOM 623 CB LEU A 40 2.570 1.991 -1.951 1.00 0.00 C ATOM 624 CG LEU A 40 2.030 2.810 -0.769 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.697 2.374 0.524 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.238 4.302 -0.983 1.00 0.00 C ATOM 0 H LEU A 40 2.568 0.374 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 40 0.938 2.684 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.426 0.933 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.645 2.158 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 40 0.958 2.625 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.304 2.963 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.493 1.318 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.773 2.527 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.844 4.851 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.303 4.510 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.716 4.616 -1.887 1.00 0.00 H new ATOM 638 N LEU A 41 2.157 4.469 -4.352 1.00 0.00 N ATOM 639 CA LEU A 41 2.819 5.543 -5.074 1.00 0.00 C ATOM 640 C LEU A 41 3.595 6.442 -4.123 1.00 0.00 C ATOM 641 O LEU A 41 3.003 7.224 -3.376 1.00 0.00 O ATOM 642 CB LEU A 41 1.802 6.380 -5.855 1.00 0.00 C ATOM 643 CG LEU A 41 1.431 5.860 -7.250 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.888 4.443 -7.188 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.414 6.786 -7.897 1.00 0.00 C ATOM 0 H LEU A 41 1.193 4.673 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 41 3.518 5.086 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.890 6.453 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.197 7.391 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 41 2.337 5.843 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.635 4.106 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.643 3.782 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.005 4.423 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.157 6.409 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.484 6.828 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.839 7.786 -7.989 1.00 0.00 H new ATOM 657 N SER A 42 4.919 6.302 -4.150 1.00 0.00 N ATOM 658 CA SER A 42 5.821 7.153 -3.380 1.00 0.00 C ATOM 659 C SER A 42 5.604 6.979 -1.872 1.00 0.00 C ATOM 660 O SER A 42 4.894 6.076 -1.429 1.00 0.00 O ATOM 661 CB SER A 42 5.635 8.625 -3.789 1.00 0.00 C ATOM 662 OG SER A 42 6.643 9.456 -3.229 1.00 0.00 O ATOM 0 H SER A 42 5.396 5.594 -4.708 1.00 0.00 H new ATOM 0 HA SER A 42 6.845 6.851 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.658 8.707 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.654 8.972 -3.464 1.00 0.00 H new ATOM 0 HG SER A 42 6.496 10.383 -3.510 1.00 0.00 H new ATOM 863 N VAL A 56 4.769 2.653 7.104 1.00 0.00 N ATOM 864 CA VAL A 56 4.630 1.854 8.314 1.00 0.00 C ATOM 865 C VAL A 56 3.154 1.621 8.625 1.00 0.00 C ATOM 866 O VAL A 56 2.752 0.527 9.022 1.00 0.00 O ATOM 867 CB VAL A 56 5.306 2.544 9.524 1.00 0.00 C ATOM 868 CG1 VAL A 56 5.210 1.676 10.771 1.00 0.00 C ATOM 869 CG2 VAL A 56 6.759 2.875 9.217 1.00 0.00 C ATOM 0 HA VAL A 56 5.124 0.898 8.138 1.00 0.00 H new ATOM 0 HB VAL A 56 4.774 3.476 9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.693 2.184 11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.162 1.499 11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.707 0.723 10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.212 3.359 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.301 1.957 8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.806 3.546 8.360 1.00 0.00 H new ATOM 879 N MET A 57 2.349 2.652 8.408 1.00 0.00 N ATOM 880 CA MET A 57 0.923 2.599 8.714 1.00 0.00 C ATOM 881 C MET A 57 0.223 1.552 7.846 1.00 0.00 C ATOM 882 O MET A 57 -0.680 0.852 8.305 1.00 0.00 O ATOM 883 CB MET A 57 0.303 3.988 8.504 1.00 0.00 C ATOM 884 CG MET A 57 -1.096 4.161 9.089 1.00 0.00 C ATOM 885 SD MET A 57 -2.391 3.403 8.092 1.00 0.00 S ATOM 886 CE MET A 57 -3.844 3.806 9.061 1.00 0.00 C ATOM 0 H MET A 57 2.661 3.542 8.019 1.00 0.00 H new ATOM 0 HA MET A 57 0.791 2.307 9.756 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.962 4.735 8.947 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.262 4.194 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.119 3.729 10.089 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.307 5.225 9.197 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.709 3.889 8.403 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.021 3.020 9.796 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.687 4.754 9.575 1.00 0.00 H new ATOM 896 N ILE A 58 0.676 1.424 6.600 1.00 0.00 N ATOM 897 CA ILE A 58 0.076 0.488 5.649 1.00 0.00 C ATOM 898 C ILE A 58 0.168 -0.952 6.168 1.00 0.00 C ATOM 899 O ILE A 58 -0.716 -1.773 5.917 1.00 0.00 O ATOM 900 CB ILE A 58 0.735 0.582 4.239 1.00 0.00 C ATOM 901 CG1 ILE A 58 0.417 1.925 3.563 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.279 -0.565 3.343 1.00 0.00 C ATOM 903 CD1 ILE A 58 1.234 3.095 4.070 1.00 0.00 C ATOM 0 H ILE A 58 1.459 1.958 6.224 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.973 0.769 5.550 1.00 0.00 H new ATOM 0 HB ILE A 58 1.813 0.510 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.579 1.824 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.640 2.148 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.754 -0.475 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.561 -1.515 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.804 -0.526 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.943 4.000 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.055 3.228 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.293 2.900 3.901 1.00 0.00 H new ATOM 915 N ALA A 59 1.225 -1.240 6.923 1.00 0.00 N ATOM 916 CA ALA A 59 1.437 -2.575 7.474 1.00 0.00 C ATOM 917 C ALA A 59 0.330 -2.944 8.457 1.00 0.00 C ATOM 918 O ALA A 59 -0.131 -4.086 8.487 1.00 0.00 O ATOM 919 CB ALA A 59 2.798 -2.662 8.153 1.00 0.00 C ATOM 0 H ALA A 59 1.949 -0.565 7.167 1.00 0.00 H new ATOM 0 HA ALA A 59 1.411 -3.287 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.939 -3.664 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.582 -2.451 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.848 -1.933 8.962 1.00 0.00 H new ATOM 925 N GLU A 60 -0.101 -1.969 9.248 1.00 0.00 N ATOM 926 CA GLU A 60 -1.164 -2.188 10.221 1.00 0.00 C ATOM 927 C GLU A 60 -2.514 -2.274 9.512 1.00 0.00 C ATOM 928 O GLU A 60 -3.380 -3.058 9.896 1.00 0.00 O ATOM 929 CB GLU A 60 -1.176 -1.061 11.258 1.00 0.00 C ATOM 930 CG GLU A 60 -2.158 -1.279 12.401 1.00 0.00 C ATOM 931 CD GLU A 60 -1.838 -2.511 13.229 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.840 -2.484 13.978 1.00 0.00 O ATOM 933 OE2 GLU A 60 -2.594 -3.501 13.153 1.00 0.00 O ATOM 0 H GLU A 60 0.269 -1.019 9.235 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.980 -3.130 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.173 -0.951 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.420 -0.124 10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.155 -0.402 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.165 -1.372 11.995 1.00 0.00 H new ATOM 940 N LEU A 61 -2.670 -1.472 8.461 1.00 0.00 N ATOM 941 CA LEU A 61 -3.887 -1.482 7.653 1.00 0.00 C ATOM 942 C LEU A 61 -4.100 -2.878 7.067 1.00 0.00 C ATOM 943 O LEU A 61 -5.217 -3.393 7.038 1.00 0.00 O ATOM 944 CB LEU A 61 -3.770 -0.442 6.528 1.00 0.00 C ATOM 945 CG LEU A 61 -5.073 0.252 6.106 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.061 -0.737 5.510 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.696 0.976 7.288 1.00 0.00 C ATOM 0 H LEU A 61 -1.965 -0.804 8.148 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.743 -1.227 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.061 0.324 6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.344 -0.931 5.652 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.826 0.983 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.972 -0.212 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.620 -1.207 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.301 -1.502 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.619 1.462 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.917 0.259 8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.000 1.727 7.663 1.00 0.00 H new ATOM 959 N LEU A 62 -3.004 -3.484 6.621 1.00 0.00 N ATOM 960 CA LEU A 62 -3.025 -4.841 6.082 1.00 0.00 C ATOM 961 C LEU A 62 -3.609 -5.810 7.110 1.00 0.00 C ATOM 962 O LEU A 62 -4.431 -6.663 6.781 1.00 0.00 O ATOM 963 CB LEU A 62 -1.594 -5.261 5.694 1.00 0.00 C ATOM 964 CG LEU A 62 -1.448 -6.531 4.836 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.058 -6.584 4.227 1.00 0.00 C ATOM 966 CD2 LEU A 62 -1.685 -7.791 5.656 1.00 0.00 C ATOM 0 H LEU A 62 -2.080 -3.051 6.622 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.656 -4.867 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.132 -4.433 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.022 -5.404 6.611 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.201 -6.488 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.040 -7.485 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.098 -5.706 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.687 -6.599 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.574 -8.667 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.959 -7.839 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.693 -7.771 6.071 1.00 0.00 H new ATOM 978 N ARG A 63 -3.202 -5.648 8.363 1.00 0.00 N ATOM 979 CA ARG A 63 -3.607 -6.557 9.429 1.00 0.00 C ATOM 980 C ARG A 63 -5.089 -6.398 9.761 1.00 0.00 C ATOM 981 O ARG A 63 -5.692 -7.257 10.408 1.00 0.00 O ATOM 982 CB ARG A 63 -2.765 -6.308 10.680 1.00 0.00 C ATOM 983 CG ARG A 63 -1.267 -6.350 10.427 1.00 0.00 C ATOM 984 CD ARG A 63 -0.484 -6.189 11.716 1.00 0.00 C ATOM 985 NE ARG A 63 -0.667 -7.333 12.605 1.00 0.00 N ATOM 986 CZ ARG A 63 -0.981 -7.225 13.897 1.00 0.00 C ATOM 987 NH1 ARG A 63 -1.209 -6.028 14.431 1.00 0.00 N ATOM 988 NH2 ARG A 63 -1.083 -8.316 14.652 1.00 0.00 N ATOM 0 H ARG A 63 -2.589 -4.892 8.667 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.445 -7.577 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.027 -5.335 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.018 -7.055 11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.003 -7.296 9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.992 -5.558 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.575 -6.072 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.802 -5.279 12.224 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.548 -8.268 12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.144 -5.191 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.449 -5.948 15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.921 -9.236 14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.323 -8.232 15.640 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.671 -5.298 9.315 1.00 0.00 N ATOM 1003 CA GLU A 64 -7.073 -5.029 9.557 1.00 0.00 C ATOM 1004 C GLU A 64 -7.930 -5.473 8.379 1.00 0.00 C ATOM 1005 O GLU A 64 -9.149 -5.285 8.387 1.00 0.00 O ATOM 1006 CB GLU A 64 -7.281 -3.542 9.825 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.705 -3.080 11.150 1.00 0.00 C ATOM 1008 CD GLU A 64 -7.303 -3.819 12.330 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.537 -3.739 12.522 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.543 -4.459 13.089 1.00 0.00 O ATOM 0 H GLU A 64 -5.189 -4.575 8.781 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.381 -5.599 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.824 -2.968 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.349 -3.323 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.625 -3.225 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.882 -2.011 11.267 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.299 -6.062 7.370 1.00 0.00 N ATOM 1018 CA PHE A 65 -8.027 -6.554 6.212 1.00 0.00 C ATOM 1019 C PHE A 65 -7.957 -8.077 6.127 1.00 0.00 C ATOM 1020 O PHE A 65 -7.064 -8.628 5.491 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.477 -5.947 4.918 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.512 -5.212 4.119 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -9.330 -5.896 3.238 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.671 -3.842 4.249 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -10.292 -5.230 2.501 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.628 -3.169 3.513 1.00 0.00 C ATOM 1027 CZ PHE A 65 -10.441 -3.865 2.637 1.00 0.00 C ATOM 0 H PHE A 65 -6.290 -6.209 7.332 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.068 -6.252 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.664 -5.263 5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.052 -6.741 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.216 -6.964 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.040 -3.294 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.926 -5.778 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.741 -2.100 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.190 -3.342 2.061 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.898 -8.780 6.774 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.991 -10.234 6.698 1.00 0.00 C ATOM 1039 C PRO A 66 -9.889 -10.678 5.548 1.00 0.00 C ATOM 1040 O PRO A 66 -10.323 -11.826 5.482 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.619 -10.588 8.042 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.506 -9.431 8.367 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.941 -8.221 7.652 1.00 0.00 C ATOM 0 HA PRO A 66 -8.032 -10.719 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.187 -11.516 7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.858 -10.730 8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.528 -9.627 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.539 -9.262 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.709 -7.702 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.526 -7.499 8.356 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.165 -9.746 4.644 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.079 -9.989 3.537 1.00 0.00 C ATOM 1053 C GLN A 67 -10.438 -10.857 2.461 1.00 0.00 C ATOM 1054 O GLN A 67 -11.097 -11.719 1.880 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.543 -8.657 2.941 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.485 -7.886 3.850 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.799 -8.613 4.075 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.758 -8.423 3.331 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -13.852 -9.446 5.103 1.00 0.00 N ATOM 0 H GLN A 67 -9.765 -8.808 4.658 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.942 -10.530 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.671 -8.040 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.041 -8.847 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.999 -7.715 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.685 -6.907 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.033 -9.576 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.712 -9.958 5.301 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.154 -10.642 2.208 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.453 -11.391 1.173 1.00 0.00 C ATOM 1070 C PHE A 68 -6.942 -11.375 1.378 1.00 0.00 C ATOM 1071 O PHE A 68 -6.433 -10.743 2.302 1.00 0.00 O ATOM 1072 CB PHE A 68 -8.801 -10.863 -0.229 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.878 -9.362 -0.361 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.002 -8.519 0.315 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.834 -8.797 -1.190 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.088 -7.149 0.163 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.922 -7.430 -1.341 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.049 -6.605 -0.666 1.00 0.00 C ATOM 0 H PHE A 68 -8.579 -9.959 2.702 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.791 -12.424 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.055 -11.234 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.760 -11.286 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.248 -8.939 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.520 -9.437 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.403 -6.503 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.675 -7.005 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.116 -5.534 -0.785 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.251 -12.083 0.497 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.799 -12.184 0.519 1.00 0.00 C ATOM 1090 C ASP A 69 -4.223 -11.437 -0.679 1.00 0.00 C ATOM 1091 O ASP A 69 -4.524 -11.765 -1.824 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.398 -13.667 0.495 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.932 -13.905 0.179 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -2.091 -13.782 1.092 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.628 -14.266 -0.977 1.00 0.00 O ATOM 0 H ASP A 69 -6.687 -12.609 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.400 -11.732 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.627 -14.110 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.008 -14.186 -0.245 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.423 -10.418 -0.416 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.921 -9.558 -1.476 1.00 0.00 C ATOM 1102 C TRP A 70 -1.485 -9.124 -1.215 1.00 0.00 C ATOM 1103 O TRP A 70 -1.053 -9.000 -0.067 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.831 -8.333 -1.664 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.064 -7.489 -0.433 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.684 -7.754 0.855 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.754 -6.236 -0.389 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.098 -6.744 1.688 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.754 -5.800 0.948 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.369 -5.438 -1.355 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.351 -4.608 1.345 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.961 -4.251 -0.961 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -5.947 -3.846 0.379 1.00 0.00 C ATOM 0 H TRP A 70 -3.107 -10.165 0.520 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.928 -10.139 -2.398 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.399 -7.699 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.797 -8.676 -2.034 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.138 -8.631 1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.942 -6.704 2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.383 -5.742 -2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.344 -4.296 2.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.442 -3.627 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.416 -2.913 0.655 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.749 -8.894 -2.293 1.00 0.00 N ATOM 1125 CA GLN A 71 0.646 -8.495 -2.199 1.00 0.00 C ATOM 1126 C GLN A 71 0.759 -6.977 -2.172 1.00 0.00 C ATOM 1127 O GLN A 71 0.271 -6.292 -3.071 1.00 0.00 O ATOM 1128 CB GLN A 71 1.463 -9.049 -3.377 1.00 0.00 C ATOM 1129 CG GLN A 71 1.629 -10.566 -3.390 1.00 0.00 C ATOM 1130 CD GLN A 71 0.332 -11.311 -3.649 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.004 -11.507 -4.914 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -0.374 -11.692 -2.725 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.098 -8.978 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 71 1.048 -8.907 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.984 -8.743 -4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.452 -8.591 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.355 -10.838 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.039 -10.888 -2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.088 -11.522 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.249 -12.179 -2.919 1.00 0.00 H new ATOM 1141 N VAL A 72 1.396 -6.456 -1.139 1.00 0.00 N ATOM 1142 CA VAL A 72 1.586 -5.021 -1.007 1.00 0.00 C ATOM 1143 C VAL A 72 2.916 -4.603 -1.623 1.00 0.00 C ATOM 1144 O VAL A 72 3.975 -5.091 -1.227 1.00 0.00 O ATOM 1145 CB VAL A 72 1.532 -4.578 0.468 1.00 0.00 C ATOM 1146 CG1 VAL A 72 1.679 -3.068 0.586 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.231 -5.030 1.109 1.00 0.00 C ATOM 0 H VAL A 72 1.792 -7.006 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 72 0.771 -4.531 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 72 2.364 -5.046 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.638 -2.779 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.635 -2.761 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.869 -2.580 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.208 -4.710 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.610 -4.589 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.161 -6.117 1.062 1.00 0.00 H new ATOM 1157 N ALA A 73 2.850 -3.712 -2.598 1.00 0.00 N ATOM 1158 CA ALA A 73 4.031 -3.256 -3.308 1.00 0.00 C ATOM 1159 C ALA A 73 4.178 -1.743 -3.191 1.00 0.00 C ATOM 1160 O ALA A 73 3.221 -1.043 -2.863 1.00 0.00 O ATOM 1161 CB ALA A 73 3.946 -3.673 -4.768 1.00 0.00 C ATOM 0 H ALA A 73 1.980 -3.287 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 73 4.911 -3.716 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.835 -3.329 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.883 -4.759 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.059 -3.230 -5.222 1.00 0.00 H new ATOM 1167 N VAL A 74 5.373 -1.246 -3.469 1.00 0.00 N ATOM 1168 CA VAL A 74 5.663 0.176 -3.356 1.00 0.00 C ATOM 1169 C VAL A 74 6.648 0.610 -4.442 1.00 0.00 C ATOM 1170 O VAL A 74 7.565 -0.138 -4.800 1.00 0.00 O ATOM 1171 CB VAL A 74 6.224 0.518 -1.947 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.390 -0.391 -1.591 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.643 1.979 -1.854 1.00 0.00 C ATOM 0 H VAL A 74 6.164 -1.811 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 74 4.730 0.723 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 74 5.422 0.351 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.765 -0.131 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.056 -1.429 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.186 -0.265 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.030 2.184 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.418 2.183 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.781 2.618 -2.047 1.00 0.00 H new ATOM 1183 N ALA A 75 6.429 1.800 -4.992 1.00 0.00 N ATOM 1184 CA ALA A 75 7.317 2.359 -6.000 1.00 0.00 C ATOM 1185 C ALA A 75 8.347 3.276 -5.349 1.00 0.00 C ATOM 1186 O ALA A 75 7.994 4.154 -4.559 1.00 0.00 O ATOM 1187 CB ALA A 75 6.516 3.109 -7.053 1.00 0.00 C ATOM 0 H ALA A 75 5.638 2.398 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 75 7.847 1.543 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.194 3.522 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.818 2.425 -7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.961 3.919 -6.580 1.00 0.00 H new ATOM 1193 N ASP A 76 9.612 3.072 -5.694 1.00 0.00 N ATOM 1194 CA ASP A 76 10.719 3.770 -5.040 1.00 0.00 C ATOM 1195 C ASP A 76 10.829 5.233 -5.485 1.00 0.00 C ATOM 1196 O ASP A 76 11.529 5.552 -6.445 1.00 0.00 O ATOM 1197 CB ASP A 76 12.037 3.032 -5.294 1.00 0.00 C ATOM 1198 CG ASP A 76 13.227 3.722 -4.656 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.262 3.834 -3.416 1.00 0.00 O ATOM 1200 OD2 ASP A 76 14.144 4.139 -5.395 1.00 0.00 O ATOM 0 H ASP A 76 9.901 2.425 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 76 10.511 3.776 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.960 2.016 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.202 2.951 -6.368 1.00 0.00 H new ATOM 1205 N LEU A 77 10.067 6.088 -4.798 1.00 0.00 N ATOM 1206 CA LEU A 77 10.144 7.549 -4.898 1.00 0.00 C ATOM 1207 C LEU A 77 9.804 8.059 -6.287 1.00 0.00 C ATOM 1208 O LEU A 77 8.705 8.550 -6.534 1.00 0.00 O ATOM 1209 CB LEU A 77 11.528 8.050 -4.474 1.00 0.00 C ATOM 1210 CG LEU A 77 11.893 7.782 -3.013 1.00 0.00 C ATOM 1211 CD1 LEU A 77 13.288 8.301 -2.707 1.00 0.00 C ATOM 1212 CD2 LEU A 77 10.868 8.418 -2.083 1.00 0.00 C ATOM 0 H LEU A 77 9.357 5.774 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 77 9.393 7.948 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.278 7.582 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.580 9.124 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 77 11.886 6.705 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.530 8.101 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.012 7.800 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.325 9.375 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.143 8.218 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.844 9.495 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.883 7.997 -2.285 1.00 0.00 H new ATOM 1224 N GLU A 78 10.740 7.897 -7.189 1.00 0.00 N ATOM 1225 CA GLU A 78 10.634 8.459 -8.526 1.00 0.00 C ATOM 1226 C GLU A 78 9.696 7.638 -9.391 1.00 0.00 C ATOM 1227 O GLU A 78 8.952 8.181 -10.205 1.00 0.00 O ATOM 1228 CB GLU A 78 12.007 8.531 -9.195 1.00 0.00 C ATOM 1229 CG GLU A 78 12.754 9.832 -8.953 1.00 0.00 C ATOM 1230 CD GLU A 78 13.186 10.016 -7.517 1.00 0.00 C ATOM 1231 OE1 GLU A 78 13.809 9.092 -6.959 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.929 11.100 -6.951 1.00 0.00 O ATOM 0 H GLU A 78 11.599 7.373 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 78 10.230 9.467 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.617 7.703 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.883 8.392 -10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.633 9.863 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.117 10.668 -9.243 1.00 0.00 H new ATOM 1239 N GLN A 79 9.722 6.328 -9.189 1.00 0.00 N ATOM 1240 CA GLN A 79 8.948 5.399 -10.009 1.00 0.00 C ATOM 1241 C GLN A 79 7.453 5.713 -9.945 1.00 0.00 C ATOM 1242 O GLN A 79 6.712 5.438 -10.888 1.00 0.00 O ATOM 1243 CB GLN A 79 9.208 3.964 -9.545 1.00 0.00 C ATOM 1244 CG GLN A 79 8.604 2.904 -10.453 1.00 0.00 C ATOM 1245 CD GLN A 79 9.195 2.904 -11.854 1.00 0.00 C ATOM 1246 OE1 GLN A 79 8.509 2.586 -12.824 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.474 3.231 -11.968 1.00 0.00 N ATOM 0 H GLN A 79 10.275 5.879 -8.459 1.00 0.00 H new ATOM 0 HA GLN A 79 9.266 5.509 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.284 3.803 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.806 3.839 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.753 1.922 -10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.528 3.063 -10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.010 3.489 -11.140 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.922 3.224 -12.884 1.00 0.00 H new ATOM 1256 N SER A 80 7.022 6.309 -8.837 1.00 0.00 N ATOM 1257 CA SER A 80 5.614 6.635 -8.636 1.00 0.00 C ATOM 1258 C SER A 80 5.121 7.642 -9.674 1.00 0.00 C ATOM 1259 O SER A 80 3.957 7.614 -10.069 1.00 0.00 O ATOM 1260 CB SER A 80 5.398 7.200 -7.229 1.00 0.00 C ATOM 1261 OG SER A 80 6.093 8.424 -7.050 1.00 0.00 O ATOM 0 H SER A 80 7.630 6.577 -8.063 1.00 0.00 H new ATOM 0 HA SER A 80 5.041 5.715 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.333 7.356 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.737 6.476 -6.488 1.00 0.00 H new ATOM 0 HG SER A 80 6.966 8.248 -6.640 1.00 0.00 H new ATOM 1267 N GLU A 81 6.023 8.508 -10.124 1.00 0.00 N ATOM 1268 CA GLU A 81 5.674 9.591 -11.031 1.00 0.00 C ATOM 1269 C GLU A 81 5.107 9.045 -12.339 1.00 0.00 C ATOM 1270 O GLU A 81 3.995 9.395 -12.733 1.00 0.00 O ATOM 1271 CB GLU A 81 6.906 10.463 -11.296 1.00 0.00 C ATOM 1272 CG GLU A 81 6.609 11.743 -12.058 1.00 0.00 C ATOM 1273 CD GLU A 81 7.833 12.619 -12.227 1.00 0.00 C ATOM 1274 OE1 GLU A 81 8.168 13.371 -11.285 1.00 0.00 O ATOM 1275 OE2 GLU A 81 8.463 12.567 -13.304 1.00 0.00 O ATOM 0 H GLU A 81 7.011 8.478 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 81 4.902 10.203 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.368 10.720 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.636 9.880 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.208 11.492 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.836 12.303 -11.532 1.00 0.00 H new ATOM 1282 N ALA A 82 5.865 8.172 -12.992 1.00 0.00 N ATOM 1283 CA ALA A 82 5.443 7.583 -14.256 1.00 0.00 C ATOM 1284 C ALA A 82 4.227 6.677 -14.073 1.00 0.00 C ATOM 1285 O ALA A 82 3.333 6.649 -14.921 1.00 0.00 O ATOM 1286 CB ALA A 82 6.590 6.807 -14.889 1.00 0.00 C ATOM 0 H ALA A 82 6.778 7.856 -12.665 1.00 0.00 H new ATOM 0 HA ALA A 82 5.156 8.397 -14.922 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.259 6.373 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.427 7.481 -15.073 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.907 6.011 -14.215 1.00 0.00 H new ATOM 1292 N ILE A 83 4.192 5.946 -12.964 1.00 0.00 N ATOM 1293 CA ILE A 83 3.087 5.036 -12.687 1.00 0.00 C ATOM 1294 C ILE A 83 1.793 5.808 -12.446 1.00 0.00 C ATOM 1295 O ILE A 83 0.775 5.542 -13.081 1.00 0.00 O ATOM 1296 CB ILE A 83 3.384 4.129 -11.468 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.609 3.251 -11.738 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.176 3.262 -11.133 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.982 2.353 -10.576 1.00 0.00 C ATOM 0 H ILE A 83 4.914 5.966 -12.244 1.00 0.00 H new ATOM 0 HA ILE A 83 2.969 4.403 -13.566 1.00 0.00 H new ATOM 0 HB ILE A 83 3.596 4.769 -10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.416 2.634 -12.616 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.458 3.891 -11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.407 2.633 -10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.324 3.900 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.932 2.632 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.858 1.761 -10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.207 2.964 -9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.149 1.687 -10.349 1.00 0.00 H new ATOM 1311 N GLY A 84 1.844 6.777 -11.545 1.00 0.00 N ATOM 1312 CA GLY A 84 0.657 7.534 -11.204 1.00 0.00 C ATOM 1313 C GLY A 84 0.159 8.385 -12.348 1.00 0.00 C ATOM 1314 O GLY A 84 -1.050 8.576 -12.503 1.00 0.00 O ATOM 0 H GLY A 84 2.688 7.053 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.132 6.847 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.872 8.173 -10.348 1.00 0.00 H new ATOM 1318 N ASP A 85 1.084 8.902 -13.144 1.00 0.00 N ATOM 1319 CA ASP A 85 0.737 9.736 -14.294 1.00 0.00 C ATOM 1320 C ASP A 85 0.005 8.911 -15.342 1.00 0.00 C ATOM 1321 O ASP A 85 -0.852 9.415 -16.067 1.00 0.00 O ATOM 1322 CB ASP A 85 2.007 10.339 -14.895 1.00 0.00 C ATOM 1323 CG ASP A 85 1.731 11.420 -15.925 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.444 12.569 -15.528 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.827 11.130 -17.136 1.00 0.00 O ATOM 0 H ASP A 85 2.086 8.760 -13.017 1.00 0.00 H new ATOM 0 HA ASP A 85 0.080 10.540 -13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.616 10.758 -14.094 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.593 9.546 -15.359 1.00 0.00 H new ATOM 1330 N ARG A 86 0.362 7.634 -15.410 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.307 6.680 -16.294 1.00 0.00 C ATOM 1332 C ARG A 86 -1.814 6.691 -16.058 1.00 0.00 C ATOM 1333 O ARG A 86 -2.600 6.694 -17.002 1.00 0.00 O ATOM 1334 CB ARG A 86 0.246 5.270 -16.058 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.364 4.181 -16.934 1.00 0.00 C ATOM 1336 CD ARG A 86 -0.124 4.431 -18.418 1.00 0.00 C ATOM 1337 NE ARG A 86 -1.162 5.267 -19.020 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.011 5.951 -20.153 1.00 0.00 C ATOM 1339 NH1 ARG A 86 0.168 5.991 -20.766 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -2.045 6.607 -20.664 1.00 0.00 N ATOM 0 H ARG A 86 1.119 7.230 -14.858 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.115 6.974 -17.326 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.323 5.287 -16.223 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.088 5.005 -15.013 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.059 3.215 -16.657 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.436 4.125 -16.746 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.846 4.910 -18.550 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.082 3.476 -18.942 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.060 5.330 -18.541 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.966 5.495 -20.369 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.274 6.517 -21.633 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.948 6.585 -20.190 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.937 7.133 -21.531 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.215 6.707 -14.795 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.631 6.748 -14.464 1.00 0.00 C ATOM 1356 C PHE A 87 -4.130 8.187 -14.502 1.00 0.00 C ATOM 1357 O PHE A 87 -4.713 8.631 -15.493 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.907 6.170 -13.071 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.063 4.986 -12.701 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.254 3.751 -13.300 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.080 5.113 -11.736 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.472 2.666 -12.942 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.302 4.037 -11.374 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.496 2.811 -11.976 1.00 0.00 C ATOM 0 H PHE A 87 -1.588 6.692 -13.991 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.155 6.141 -15.202 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.751 6.955 -12.330 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.957 5.882 -13.014 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.020 3.634 -14.053 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.921 6.069 -11.260 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.625 1.708 -13.417 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.539 4.152 -10.618 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.886 1.966 -11.692 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.845 8.914 -13.423 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.332 10.282 -13.236 1.00 0.00 C ATOM 1376 C ASN A 88 -3.967 10.795 -11.834 1.00 0.00 C ATOM 1377 O ASN A 88 -4.544 11.757 -11.335 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.861 10.334 -13.439 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.407 11.748 -13.606 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -6.378 12.310 -14.701 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -6.951 12.311 -12.538 1.00 0.00 N ATOM 0 H ASN A 88 -3.270 8.572 -12.653 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.855 10.925 -13.976 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.122 9.746 -14.319 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.349 9.864 -12.585 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.364 13.241 -12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.957 11.815 -11.647 1.00 0.00 H new ATOM 1388 N VAL A 89 -2.978 10.169 -11.212 1.00 0.00 N ATOM 1389 CA VAL A 89 -2.629 10.488 -9.833 1.00 0.00 C ATOM 1390 C VAL A 89 -1.281 11.194 -9.783 1.00 0.00 C ATOM 1391 O VAL A 89 -0.963 11.888 -8.822 1.00 0.00 O ATOM 1392 CB VAL A 89 -2.576 9.213 -8.956 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -2.419 9.565 -7.484 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -3.819 8.359 -9.172 1.00 0.00 C ATOM 0 H VAL A 89 -2.405 9.440 -11.637 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.403 11.146 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.703 8.635 -9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.385 8.650 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.495 10.125 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.265 10.173 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.762 7.468 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.706 8.933 -8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.880 8.064 -10.219 1.00 0.00 H new ATOM 1404 N ARG A 90 -0.502 11.019 -10.849 1.00 0.00 N ATOM 1405 CA ARG A 90 0.847 11.570 -10.932 1.00 0.00 C ATOM 1406 C ARG A 90 1.700 11.019 -9.785 1.00 0.00 C ATOM 1407 O ARG A 90 1.503 9.883 -9.360 1.00 0.00 O ATOM 1408 CB ARG A 90 0.792 13.104 -10.914 1.00 0.00 C ATOM 1409 CG ARG A 90 1.888 13.761 -11.738 1.00 0.00 C ATOM 1410 CD ARG A 90 1.679 15.264 -11.858 1.00 0.00 C ATOM 1411 NE ARG A 90 2.631 15.867 -12.788 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.705 17.172 -13.041 1.00 0.00 C ATOM 1413 NH1 ARG A 90 1.887 18.023 -12.432 1.00 0.00 N ATOM 1414 NH2 ARG A 90 3.594 17.630 -13.911 1.00 0.00 N ATOM 0 H ARG A 90 -0.788 10.494 -11.675 1.00 0.00 H new ATOM 0 HA ARG A 90 1.311 11.269 -11.871 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.178 13.429 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.867 13.450 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.856 13.564 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.911 13.316 -12.733 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.662 15.465 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.786 15.726 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 90 3.280 15.249 -13.274 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.196 17.678 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.950 19.021 -12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.222 16.982 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.650 18.630 -14.104 1.00 0.00 H new ATOM 1428 N ARG A 91 2.641 11.806 -9.282 1.00 0.00 N ATOM 1429 CA ARG A 91 3.528 11.334 -8.223 1.00 0.00 C ATOM 1430 C ARG A 91 3.015 11.735 -6.840 1.00 0.00 C ATOM 1431 O ARG A 91 3.803 12.011 -5.931 1.00 0.00 O ATOM 1432 CB ARG A 91 4.951 11.860 -8.434 1.00 0.00 C ATOM 1433 CG ARG A 91 5.052 13.371 -8.520 1.00 0.00 C ATOM 1434 CD ARG A 91 6.491 13.818 -8.711 1.00 0.00 C ATOM 1435 NE ARG A 91 7.336 13.471 -7.566 1.00 0.00 N ATOM 1436 CZ ARG A 91 8.643 13.206 -7.656 1.00 0.00 C ATOM 1437 NH1 ARG A 91 9.237 13.150 -8.842 1.00 0.00 N ATOM 1438 NH2 ARG A 91 9.357 12.972 -6.558 1.00 0.00 N ATOM 0 H ARG A 91 2.811 12.765 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 91 3.545 10.245 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.580 11.512 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.353 11.428 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.444 13.732 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.648 13.817 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.896 13.357 -9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.517 14.897 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 91 6.901 13.429 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.696 13.310 -9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.235 12.947 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.907 12.994 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.354 12.770 -6.631 1.00 0.00 H new ATOM 1452 N PHE A 92 1.699 11.752 -6.679 1.00 0.00 N ATOM 1453 CA PHE A 92 1.093 12.033 -5.385 1.00 0.00 C ATOM 1454 C PHE A 92 0.897 10.736 -4.608 1.00 0.00 C ATOM 1455 O PHE A 92 0.545 9.710 -5.190 1.00 0.00 O ATOM 1456 CB PHE A 92 -0.243 12.764 -5.552 1.00 0.00 C ATOM 1457 CG PHE A 92 -0.103 14.175 -6.054 1.00 0.00 C ATOM 1458 CD1 PHE A 92 0.284 15.189 -5.196 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -0.356 14.486 -7.379 1.00 0.00 C ATOM 1460 CE1 PHE A 92 0.414 16.490 -5.649 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -0.229 15.783 -7.839 1.00 0.00 C ATOM 1462 CZ PHE A 92 0.157 16.787 -6.973 1.00 0.00 C ATOM 0 H PHE A 92 1.030 11.574 -7.429 1.00 0.00 H new ATOM 0 HA PHE A 92 1.764 12.684 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.870 12.202 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.761 12.779 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.487 14.962 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.656 13.705 -8.062 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.716 17.272 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.431 16.011 -8.875 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.258 17.801 -7.330 1.00 0.00 H new ATOM 1472 N PRO A 93 1.136 10.765 -3.286 1.00 0.00 N ATOM 1473 CA PRO A 93 1.041 9.574 -2.435 1.00 0.00 C ATOM 1474 C PRO A 93 -0.357 8.962 -2.427 1.00 0.00 C ATOM 1475 O PRO A 93 -1.332 9.598 -2.011 1.00 0.00 O ATOM 1476 CB PRO A 93 1.403 10.090 -1.037 1.00 0.00 C ATOM 1477 CG PRO A 93 2.119 11.374 -1.269 1.00 0.00 C ATOM 1478 CD PRO A 93 1.520 11.958 -2.515 1.00 0.00 C ATOM 0 HA PRO A 93 1.695 8.779 -2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.511 10.241 -0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.034 9.378 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.995 12.049 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.189 11.208 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.660 12.589 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.237 12.576 -3.057 1.00 0.00 H new ATOM 1486 N ALA A 94 -0.441 7.725 -2.893 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.695 6.992 -2.926 1.00 0.00 C ATOM 1488 C ALA A 94 -1.426 5.507 -3.104 1.00 0.00 C ATOM 1489 O ALA A 94 -0.347 5.115 -3.543 1.00 0.00 O ATOM 1490 CB ALA A 94 -2.584 7.502 -4.052 1.00 0.00 C ATOM 0 H ALA A 94 0.356 7.203 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.213 7.148 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.518 6.941 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.797 8.560 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.074 7.371 -5.006 1.00 0.00 H new ATOM 1496 N THR A 95 -2.394 4.684 -2.747 1.00 0.00 N ATOM 1497 CA THR A 95 -2.272 3.248 -2.923 1.00 0.00 C ATOM 1498 C THR A 95 -3.470 2.722 -3.703 1.00 0.00 C ATOM 1499 O THR A 95 -4.604 2.813 -3.239 1.00 0.00 O ATOM 1500 CB THR A 95 -2.184 2.526 -1.565 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.227 3.189 -0.728 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.780 1.070 -1.747 1.00 0.00 C ATOM 0 H THR A 95 -3.276 4.986 -2.332 1.00 0.00 H new ATOM 0 HA THR A 95 -1.354 3.050 -3.477 1.00 0.00 H new ATOM 0 HB THR A 95 -3.168 2.555 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.174 2.729 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.725 0.583 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.520 0.562 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.805 1.021 -2.233 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.223 2.189 -4.891 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.304 1.708 -5.735 1.00 0.00 C ATOM 1512 C LEU A 96 -4.565 0.230 -5.488 1.00 0.00 C ATOM 1513 O LEU A 96 -3.634 -0.567 -5.371 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.001 1.953 -7.218 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.942 3.425 -7.643 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.622 4.066 -7.244 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.167 3.555 -9.138 1.00 0.00 C ATOM 0 H LEU A 96 -2.290 2.080 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.201 2.269 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.047 1.485 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.762 1.450 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.739 3.955 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.614 5.109 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.505 4.014 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.800 3.535 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.122 4.606 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.395 3.001 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.146 3.151 -9.395 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.838 -0.124 -5.413 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.243 -1.483 -5.104 1.00 0.00 C ATOM 1531 C VAL A 97 -6.536 -2.262 -6.378 1.00 0.00 C ATOM 1532 O VAL A 97 -7.538 -2.017 -7.059 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.487 -1.506 -4.190 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.897 -2.941 -3.871 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.224 -0.718 -2.910 1.00 0.00 C ATOM 0 H VAL A 97 -6.615 0.520 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.414 -1.955 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.312 -1.030 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.776 -2.934 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.131 -3.467 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.078 -3.449 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.111 -0.745 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.384 -1.162 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.989 0.316 -3.161 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.650 -3.189 -6.696 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.821 -4.055 -7.845 1.00 0.00 C ATOM 1547 C PHE A 98 -6.280 -5.426 -7.377 1.00 0.00 C ATOM 1548 O PHE A 98 -5.491 -6.206 -6.854 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.511 -4.184 -8.626 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.003 -2.887 -9.195 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.373 -1.953 -8.387 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.151 -2.606 -10.542 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.905 -0.765 -8.914 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.682 -1.420 -11.071 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.059 -0.499 -10.258 1.00 0.00 C ATOM 0 H PHE A 98 -4.795 -3.361 -6.166 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.572 -3.621 -8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.749 -4.603 -7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.655 -4.894 -9.441 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.247 -2.157 -7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.639 -3.322 -11.187 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.418 -0.045 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.804 -1.214 -12.124 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.692 0.429 -10.672 1.00 0.00 H new ATOM 1565 N THR A 99 -7.558 -5.700 -7.538 1.00 0.00 N ATOM 1566 CA THR A 99 -8.119 -6.973 -7.130 1.00 0.00 C ATOM 1567 C THR A 99 -8.926 -7.565 -8.271 1.00 0.00 C ATOM 1568 O THR A 99 -9.565 -6.825 -9.028 1.00 0.00 O ATOM 1569 CB THR A 99 -8.996 -6.826 -5.868 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.680 -5.565 -5.888 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.151 -6.928 -4.607 1.00 0.00 C ATOM 0 H THR A 99 -8.232 -5.055 -7.951 1.00 0.00 H new ATOM 0 HA THR A 99 -7.298 -7.645 -6.881 1.00 0.00 H new ATOM 0 HB THR A 99 -9.726 -7.635 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.235 -5.481 -5.085 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.791 -6.821 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.655 -7.898 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.401 -6.137 -4.607 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.854 -8.889 -8.418 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.500 -9.595 -9.531 1.00 0.00 C ATOM 1581 C ASP A 100 -8.724 -9.337 -10.818 1.00 0.00 C ATOM 1582 O ASP A 100 -9.136 -9.715 -11.915 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.963 -9.144 -9.685 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.733 -9.909 -10.744 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.744 -11.153 -10.704 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.334 -9.257 -11.626 1.00 0.00 O ATOM 0 H ASP A 100 -8.351 -9.500 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.498 -10.664 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.471 -9.258 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.982 -8.082 -9.932 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.567 -8.714 -10.661 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.798 -8.262 -11.799 1.00 0.00 C ATOM 1593 C GLY A 101 -7.317 -6.943 -12.331 1.00 0.00 C ATOM 1594 O GLY A 101 -6.815 -6.426 -13.327 1.00 0.00 O ATOM 0 H GLY A 101 -7.144 -8.512 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.752 -8.154 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.836 -9.014 -12.587 1.00 0.00 H new ATOM 1598 N LYS A 102 -8.334 -6.402 -11.668 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.930 -5.145 -12.092 1.00 0.00 C ATOM 1600 C LYS A 102 -8.675 -4.052 -11.064 1.00 0.00 C ATOM 1601 O LYS A 102 -8.769 -4.284 -9.857 1.00 0.00 O ATOM 1602 CB LYS A 102 -10.436 -5.314 -12.311 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.791 -6.315 -13.399 1.00 0.00 C ATOM 1604 CD LYS A 102 -12.296 -6.505 -13.509 1.00 0.00 C ATOM 1605 CE LYS A 102 -12.657 -7.553 -14.552 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.034 -8.872 -14.256 1.00 0.00 N ATOM 0 H LYS A 102 -8.760 -6.814 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.466 -4.852 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.896 -5.631 -11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.867 -4.346 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.395 -5.971 -14.355 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.317 -7.272 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.697 -6.803 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.764 -5.556 -13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.740 -7.665 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.334 -7.212 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.506 -9.612 -14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.024 -8.843 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.136 -9.084 -13.243 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.332 -2.867 -11.544 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.187 -1.712 -10.678 1.00 0.00 C ATOM 1622 C LEU A 103 -9.555 -1.321 -10.132 1.00 0.00 C ATOM 1623 O LEU A 103 -10.413 -0.821 -10.863 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.546 -0.547 -11.440 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.286 0.715 -10.613 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.435 0.393 -9.395 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.615 1.777 -11.469 1.00 0.00 C ATOM 0 H LEU A 103 -8.149 -2.682 -12.530 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.531 -1.962 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.599 -0.887 -11.860 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.191 -0.285 -12.279 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.243 1.104 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.262 1.303 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.953 -0.336 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.479 -0.020 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.436 2.669 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.665 1.395 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.262 2.029 -12.309 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.764 -1.587 -8.852 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.074 -1.408 -8.242 1.00 0.00 C ATOM 1641 C ARG A 104 -11.190 -0.059 -7.540 1.00 0.00 C ATOM 1642 O ARG A 104 -12.276 0.514 -7.466 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.352 -2.542 -7.252 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.412 -3.923 -7.895 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.581 -4.054 -8.861 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.704 -5.411 -9.405 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.870 -6.050 -9.541 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.991 -5.471 -9.126 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.915 -7.268 -10.078 1.00 0.00 N ATOM 0 H ARG A 104 -9.044 -1.928 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.817 -1.432 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.576 -2.542 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.298 -2.346 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.480 -4.116 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.498 -4.681 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.505 -3.785 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.453 -3.347 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.853 -5.893 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.960 -4.542 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.883 -5.955 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.055 -7.720 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.809 -7.749 -10.178 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.078 0.447 -7.024 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.111 1.717 -6.324 1.00 0.00 C ATOM 1665 C GLY A 105 -8.731 2.199 -5.936 1.00 0.00 C ATOM 1666 O GLY A 105 -7.731 1.581 -6.301 1.00 0.00 O ATOM 0 H GLY A 105 -9.160 0.005 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.589 2.465 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.724 1.619 -5.428 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.678 3.296 -5.193 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.415 3.879 -4.756 1.00 0.00 C ATOM 1672 C ALA A 106 -7.588 4.607 -3.427 1.00 0.00 C ATOM 1673 O ALA A 106 -8.575 5.312 -3.221 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.876 4.831 -5.814 1.00 0.00 C ATOM 0 H ALA A 106 -9.504 3.805 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.697 3.072 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.933 5.258 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.712 4.287 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.596 5.631 -5.984 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.630 4.423 -2.531 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.663 5.062 -1.223 1.00 0.00 C ATOM 1682 C LEU A 107 -5.679 6.223 -1.159 1.00 0.00 C ATOM 1683 O LEU A 107 -4.595 6.162 -1.737 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.335 4.054 -0.112 1.00 0.00 C ATOM 1685 CG LEU A 107 -7.505 3.200 0.385 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.637 4.088 0.874 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -7.996 2.246 -0.696 1.00 0.00 C ATOM 0 H LEU A 107 -5.814 3.832 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.673 5.443 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.552 3.387 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.923 4.600 0.737 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.150 2.596 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.461 3.467 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.281 4.714 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.982 4.721 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.827 1.655 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.329 2.818 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.184 1.581 -0.991 1.00 0.00 H new ATOM 1699 N SER A 108 -6.070 7.275 -0.458 1.00 0.00 N ATOM 1700 CA SER A 108 -5.197 8.415 -0.233 1.00 0.00 C ATOM 1701 C SER A 108 -5.391 8.922 1.192 1.00 0.00 C ATOM 1702 O SER A 108 -4.463 8.900 2.000 1.00 0.00 O ATOM 1703 CB SER A 108 -5.481 9.524 -1.256 1.00 0.00 C ATOM 1704 OG SER A 108 -4.533 10.577 -1.158 1.00 0.00 O ATOM 0 H SER A 108 -6.993 7.363 -0.033 1.00 0.00 H new ATOM 0 HA SER A 108 -4.159 8.108 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.460 9.106 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.484 9.920 -1.096 1.00 0.00 H new ATOM 0 HG SER A 108 -4.740 11.266 -1.823 1.00 0.00 H new ATOM 1710 N GLY A 109 -6.607 9.359 1.501 1.00 0.00 N ATOM 1711 CA GLY A 109 -6.924 9.770 2.852 1.00 0.00 C ATOM 1712 C GLY A 109 -7.508 8.630 3.663 1.00 0.00 C ATOM 1713 O GLY A 109 -8.360 7.888 3.170 1.00 0.00 O ATOM 0 H GLY A 109 -7.378 9.435 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.023 10.140 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.633 10.597 2.824 1.00 0.00 H new ATOM 1717 N ILE A 110 -7.058 8.496 4.903 1.00 0.00 N ATOM 1718 CA ILE A 110 -7.495 7.406 5.769 1.00 0.00 C ATOM 1719 C ILE A 110 -8.967 7.559 6.146 1.00 0.00 C ATOM 1720 O ILE A 110 -9.732 6.593 6.077 1.00 0.00 O ATOM 1721 CB ILE A 110 -6.636 7.327 7.052 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -5.157 7.135 6.692 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -7.119 6.198 7.954 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -4.881 5.879 5.888 1.00 0.00 C ATOM 0 H ILE A 110 -6.387 9.131 5.335 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.369 6.480 5.207 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.741 8.266 7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.815 8.001 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.570 7.104 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.501 6.160 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.157 6.376 8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.045 5.250 7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.815 5.812 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -5.190 5.005 6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.439 5.916 4.953 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.354 8.781 6.531 1.00 0.00 N ATOM 1737 CA HIS A 111 -10.748 9.092 6.880 1.00 0.00 C ATOM 1738 C HIS A 111 -11.164 8.416 8.197 1.00 0.00 C ATOM 1739 O HIS A 111 -10.400 7.641 8.772 1.00 0.00 O ATOM 1740 CB HIS A 111 -11.685 8.672 5.736 1.00 0.00 C ATOM 1741 CG HIS A 111 -11.578 9.526 4.512 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -10.845 9.168 3.402 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -12.139 10.720 4.221 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -10.966 10.104 2.481 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -11.746 11.058 2.951 1.00 0.00 N ATOM 0 H HIS A 111 -8.719 9.575 6.609 1.00 0.00 H new ATOM 0 HA HIS A 111 -10.827 10.169 7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.469 7.639 5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -12.714 8.699 6.095 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -10.295 8.314 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -12.779 11.301 4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -10.504 10.091 1.505 1.00 0.00 H new ATOM 1754 N PRO A 112 -12.376 8.723 8.715 1.00 0.00 N ATOM 1755 CA PRO A 112 -12.912 8.080 9.927 1.00 0.00 C ATOM 1756 C PRO A 112 -13.331 6.622 9.703 1.00 0.00 C ATOM 1757 O PRO A 112 -13.999 6.033 10.553 1.00 0.00 O ATOM 1758 CB PRO A 112 -14.133 8.935 10.277 1.00 0.00 C ATOM 1759 CG PRO A 112 -14.561 9.526 8.982 1.00 0.00 C ATOM 1760 CD PRO A 112 -13.300 9.757 8.199 1.00 0.00 C ATOM 0 HA PRO A 112 -12.160 8.033 10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -14.926 8.332 10.719 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -13.880 9.709 11.002 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -15.234 8.854 8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -15.101 10.460 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -13.467 9.647 7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -12.907 10.761 8.358 1.00 0.00 H new ATOM 1768 N TRP A 113 -12.959 6.070 8.544 1.00 0.00 N ATOM 1769 CA TRP A 113 -13.151 4.649 8.220 1.00 0.00 C ATOM 1770 C TRP A 113 -14.596 4.348 7.799 1.00 0.00 C ATOM 1771 O TRP A 113 -14.868 3.300 7.215 1.00 0.00 O ATOM 1772 CB TRP A 113 -12.730 3.756 9.402 1.00 0.00 C ATOM 1773 CG TRP A 113 -12.380 2.347 9.019 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -13.239 1.356 8.636 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -11.070 1.771 8.999 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -12.540 0.203 8.373 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -11.207 0.433 8.589 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -9.793 2.261 9.286 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -10.114 -0.423 8.461 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -8.709 1.412 9.157 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.875 0.084 8.747 1.00 0.00 C ATOM 0 H TRP A 113 -12.512 6.600 7.796 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.510 4.421 7.369 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.871 4.209 9.897 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.541 3.731 10.130 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -14.310 1.463 8.552 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.947 -0.681 8.067 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.655 3.284 9.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -10.240 -1.449 8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.718 1.780 9.376 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.008 -0.553 8.654 1.00 0.00 H new ATOM 1792 N ALA A 114 -15.512 5.271 8.065 1.00 0.00 N ATOM 1793 CA ALA A 114 -16.917 5.082 7.702 1.00 0.00 C ATOM 1794 C ALA A 114 -17.066 4.895 6.195 1.00 0.00 C ATOM 1795 O ALA A 114 -17.911 4.130 5.722 1.00 0.00 O ATOM 1796 CB ALA A 114 -17.746 6.264 8.180 1.00 0.00 C ATOM 0 H ALA A 114 -15.311 6.157 8.529 1.00 0.00 H new ATOM 0 HA ALA A 114 -17.282 4.179 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -18.789 6.112 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -17.666 6.350 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.377 7.179 7.715 1.00 0.00 H new ATOM 1802 N GLU A 115 -16.221 5.586 5.449 1.00 0.00 N ATOM 1803 CA GLU A 115 -16.213 5.497 4.004 1.00 0.00 C ATOM 1804 C GLU A 115 -15.594 4.175 3.568 1.00 0.00 C ATOM 1805 O GLU A 115 -16.074 3.531 2.638 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.437 6.670 3.399 1.00 0.00 C ATOM 1807 CG GLU A 115 -15.855 8.031 3.942 1.00 0.00 C ATOM 1808 CD GLU A 115 -15.066 8.454 5.170 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -14.708 7.586 5.997 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -14.782 9.660 5.298 1.00 0.00 O ATOM 0 H GLU A 115 -15.522 6.224 5.831 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.241 5.542 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -14.373 6.525 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.573 6.664 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.729 8.781 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -16.916 8.005 4.191 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.538 3.770 4.266 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.870 2.500 3.996 1.00 0.00 C ATOM 1819 C LEU A 116 -14.815 1.335 4.219 1.00 0.00 C ATOM 1820 O LEU A 116 -14.776 0.353 3.486 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.635 2.341 4.883 1.00 0.00 C ATOM 1822 CG LEU A 116 -11.416 3.151 4.450 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -10.294 3.020 5.471 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.948 2.688 3.080 1.00 0.00 C ATOM 0 H LEU A 116 -14.124 4.307 5.028 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.558 2.503 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.899 2.628 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.360 1.287 4.910 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.697 4.202 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.434 3.605 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.637 3.389 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.007 1.973 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.078 3.270 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.681 1.632 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.749 2.829 2.355 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.663 1.454 5.233 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.663 0.433 5.517 1.00 0.00 C ATOM 1838 C LEU A 117 -17.600 0.292 4.320 1.00 0.00 C ATOM 1839 O LEU A 117 -17.922 -0.815 3.895 1.00 0.00 O ATOM 1840 CB LEU A 117 -17.454 0.803 6.780 1.00 0.00 C ATOM 1841 CG LEU A 117 -17.814 -0.366 7.707 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -18.693 -1.385 6.996 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -16.551 -1.026 8.239 1.00 0.00 C ATOM 0 H LEU A 117 -15.678 2.248 5.873 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.166 -0.521 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.874 1.529 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -18.376 1.299 6.477 1.00 0.00 H new ATOM 0 HG LEU A 117 -18.382 0.032 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -18.930 -2.200 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -19.615 -0.905 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -18.163 -1.781 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -16.821 -1.853 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.958 -1.403 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.967 -0.295 8.798 1.00 0.00 H new ATOM 1855 N THR A 118 -18.002 1.426 3.761 1.00 0.00 N ATOM 1856 CA THR A 118 -18.861 1.440 2.587 1.00 0.00 C ATOM 1857 C THR A 118 -18.132 0.860 1.368 1.00 0.00 C ATOM 1858 O THR A 118 -18.721 0.142 0.557 1.00 0.00 O ATOM 1859 CB THR A 118 -19.339 2.876 2.278 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.966 3.442 3.441 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.321 2.895 1.114 1.00 0.00 C ATOM 0 H THR A 118 -17.745 2.351 4.105 1.00 0.00 H new ATOM 0 HA THR A 118 -19.729 0.818 2.802 1.00 0.00 H new ATOM 0 HB THR A 118 -18.467 3.468 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.285 3.635 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.638 3.920 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.838 2.492 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.191 2.287 1.362 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.841 1.165 1.255 1.00 0.00 N ATOM 1870 CA LEU A 119 -16.034 0.688 0.138 1.00 0.00 C ATOM 1871 C LEU A 119 -15.812 -0.821 0.221 1.00 0.00 C ATOM 1872 O LEU A 119 -16.043 -1.542 -0.753 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.686 1.415 0.105 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.762 2.926 -0.117 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -13.368 3.536 -0.095 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -15.457 3.235 -1.436 1.00 0.00 C ATOM 0 H LEU A 119 -16.332 1.741 1.925 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.578 0.902 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -14.169 1.229 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.076 0.979 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 119 -15.345 3.366 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -13.439 4.612 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.901 3.342 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.764 3.091 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.503 4.315 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.898 2.784 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -16.468 2.828 -1.419 1.00 0.00 H new ATOM 1888 N MET A 120 -15.386 -1.301 1.388 1.00 0.00 N ATOM 1889 CA MET A 120 -15.123 -2.730 1.575 1.00 0.00 C ATOM 1890 C MET A 120 -16.417 -3.534 1.518 1.00 0.00 C ATOM 1891 O MET A 120 -16.403 -4.738 1.272 1.00 0.00 O ATOM 1892 CB MET A 120 -14.375 -2.989 2.897 1.00 0.00 C ATOM 1893 CG MET A 120 -15.141 -2.611 4.164 1.00 0.00 C ATOM 1894 SD MET A 120 -16.395 -3.821 4.646 1.00 0.00 S ATOM 1895 CE MET A 120 -15.388 -5.278 4.907 1.00 0.00 C ATOM 0 H MET A 120 -15.216 -0.727 2.214 1.00 0.00 H new ATOM 0 HA MET A 120 -14.482 -3.060 0.757 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.118 -4.047 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.437 -2.434 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 120 -14.432 -2.490 4.983 1.00 0.00 H new ATOM 0 HG3 MET A 120 -15.621 -1.644 4.012 1.00 0.00 H new ATOM 0 HE1 MET A 120 -15.892 -5.949 5.603 1.00 0.00 H new ATOM 0 HE2 MET A 120 -15.235 -5.789 3.957 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.423 -4.984 5.321 1.00 0.00 H new ATOM 1905 N ARG A 121 -17.531 -2.853 1.735 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.838 -3.484 1.688 1.00 0.00 C ATOM 1907 C ARG A 121 -19.119 -4.022 0.286 1.00 0.00 C ATOM 1908 O ARG A 121 -19.209 -5.230 0.073 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.910 -2.468 2.091 1.00 0.00 C ATOM 1910 CG ARG A 121 -21.311 -3.041 2.230 1.00 0.00 C ATOM 1911 CD ARG A 121 -22.324 -1.934 2.473 1.00 0.00 C ATOM 1912 NE ARG A 121 -23.685 -2.448 2.639 1.00 0.00 N ATOM 1913 CZ ARG A 121 -24.739 -1.999 1.954 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -24.584 -1.080 1.007 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -25.950 -2.475 2.206 1.00 0.00 N ATOM 0 H ARG A 121 -17.554 -1.856 1.947 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.856 -4.321 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.622 -2.014 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.931 -1.670 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.576 -3.591 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.338 -3.753 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.039 -1.374 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.302 -1.235 1.637 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.837 -3.193 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.655 -0.713 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.394 -0.741 0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.079 -3.187 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.753 -2.130 1.681 1.00 0.00 H new ATOM 1929 N SER A 122 -19.273 -3.111 -0.660 1.00 0.00 N ATOM 1930 CA SER A 122 -19.618 -3.449 -2.016 1.00 0.00 C ATOM 1931 C SER A 122 -18.438 -3.971 -2.852 1.00 0.00 C ATOM 1932 O SER A 122 -18.564 -4.973 -3.554 1.00 0.00 O ATOM 1933 CB SER A 122 -20.213 -2.204 -2.649 1.00 0.00 C ATOM 1934 OG SER A 122 -21.298 -1.718 -1.871 1.00 0.00 O ATOM 0 H SER A 122 -19.160 -2.110 -0.500 1.00 0.00 H new ATOM 0 HA SER A 122 -20.329 -4.275 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.448 -1.433 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.555 -2.431 -3.659 1.00 0.00 H new ATOM 0 HG SER A 122 -21.669 -0.915 -2.292 1.00 0.00 H new ATOM 1940 N ILE A 123 -17.291 -3.302 -2.769 1.00 0.00 N ATOM 1941 CA ILE A 123 -16.242 -3.474 -3.776 1.00 0.00 C ATOM 1942 C ILE A 123 -15.412 -4.755 -3.601 1.00 0.00 C ATOM 1943 O ILE A 123 -15.258 -5.525 -4.551 1.00 0.00 O ATOM 1944 CB ILE A 123 -15.289 -2.258 -3.785 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -16.073 -0.966 -4.055 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -14.192 -2.446 -4.826 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -15.217 0.284 -4.032 1.00 0.00 C ATOM 0 H ILE A 123 -17.063 -2.643 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 123 -16.768 -3.559 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 123 -14.820 -2.179 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -16.560 -1.044 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -16.862 -0.868 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -13.530 -1.580 -4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -13.618 -3.343 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -14.641 -2.550 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -15.841 1.156 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -14.750 0.387 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -14.443 0.209 -4.796 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.902 -5.003 -2.399 1.00 0.00 N ATOM 1960 CA VAL A 124 -13.893 -6.054 -2.209 1.00 0.00 C ATOM 1961 C VAL A 124 -14.523 -7.431 -1.985 1.00 0.00 C ATOM 1962 O VAL A 124 -13.933 -8.300 -1.340 1.00 0.00 O ATOM 1963 CB VAL A 124 -12.932 -5.720 -1.040 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.231 -4.393 -1.291 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.667 -5.702 0.291 1.00 0.00 C ATOM 0 H VAL A 124 -15.162 -4.502 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 124 -13.319 -6.092 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.177 -6.505 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.560 -4.173 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.657 -4.454 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.974 -3.600 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.966 -5.465 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -14.453 -4.948 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.110 -6.681 0.475 1.00 0.00 H new ATOM 1975 N ASP A 125 -15.702 -7.640 -2.558 1.00 0.00 N ATOM 1976 CA ASP A 125 -16.403 -8.911 -2.420 1.00 0.00 C ATOM 1977 C ASP A 125 -15.764 -9.990 -3.293 1.00 0.00 C ATOM 1978 O ASP A 125 -15.710 -11.158 -2.907 1.00 0.00 O ATOM 1979 CB ASP A 125 -17.883 -8.758 -2.777 1.00 0.00 C ATOM 1980 CG ASP A 125 -18.644 -10.061 -2.623 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -18.949 -10.440 -1.473 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -18.945 -10.710 -3.647 1.00 0.00 O ATOM 0 H ASP A 125 -16.193 -6.946 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 125 -16.324 -9.219 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.333 -7.998 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -17.973 -8.405 -3.804 1.00 0.00 H new