USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot -112:sc= 0.787 USER MOD Set 1.2: A 82 TYR OH : rot 130:sc= 0.831 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 168:sc= 1.21 (180deg=-0.00472) USER MOD Set 2.2: A 26 THR OG1 : rot -100:sc= 1.11 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 148:sc= 2.43 (180deg=0.568) USER MOD Set 3.2: A 49 ASN : amide:sc= 1.02 K(o=3.5,f=-9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 20:sc= -0.0455 USER MOD Single : A 23 THR OG1 : rot -76:sc= 1.07 USER MOD Single : A 25 THR OG1 : rot 49:sc= 0.00937 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 1.23 K(o=1.2,f=-3.2!) USER MOD Single : A 34 SER OG : rot 80:sc= 1.19 USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.156 USER MOD Single : A 41 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= 2.4 (180deg=1.95) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.747 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= -0.269 (180deg=-1.1!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.661) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -173:sc=-0.00114 (180deg=-0.0877) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.18) USER MOD Single : A 84 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 87 MET CE :methyl -166:sc= -2.29! (180deg=-2.52!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.022) USER MOD Single : A 93 GLN : amide:sc=-0.00649 K(o=-0.0065,f=-0.86) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc=-0.00498 (180deg=-0.0979) USER MOD Single : A 95 MET CE :methyl 170:sc= -6.35! (180deg=-7.03!) USER MOD Single : A 99 ASN : amide:sc= -1.44! C(o=-1.4!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -14.380 5.086 -1.191 1.00 0.00 N ATOM 173 CA ARG A 11 -13.035 5.583 -0.949 1.00 0.00 C ATOM 174 C ARG A 11 -12.205 4.488 -0.300 1.00 0.00 C ATOM 175 O ARG A 11 -11.182 4.749 0.330 1.00 0.00 O ATOM 176 CB ARG A 11 -13.078 6.814 -0.045 1.00 0.00 C ATOM 177 CG ARG A 11 -13.782 8.010 -0.664 1.00 0.00 C ATOM 178 CD ARG A 11 -13.880 9.155 0.329 1.00 0.00 C ATOM 179 NE ARG A 11 -14.578 8.744 1.552 1.00 0.00 N ATOM 180 CZ ARG A 11 -15.096 9.587 2.443 1.00 0.00 C ATOM 181 NH1 ARG A 11 -15.041 10.897 2.242 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.686 9.117 3.534 1.00 0.00 N ATOM 0 HA ARG A 11 -12.582 5.869 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.580 6.551 0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.058 7.099 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.239 8.338 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.781 7.720 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.880 9.508 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.407 9.992 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.673 7.745 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.599 11.266 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.440 11.536 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.743 8.111 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.083 9.762 4.217 1.00 0.00 H new ATOM 196 N ALA A 12 -12.674 3.258 -0.450 1.00 0.00 N ATOM 197 CA ALA A 12 -12.006 2.109 0.132 1.00 0.00 C ATOM 198 C ALA A 12 -10.653 1.889 -0.518 1.00 0.00 C ATOM 199 O ALA A 12 -10.495 2.089 -1.726 1.00 0.00 O ATOM 200 CB ALA A 12 -12.871 0.866 -0.010 1.00 0.00 C ATOM 0 H ALA A 12 -13.520 3.032 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.848 2.305 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.357 0.012 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.820 1.023 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.057 0.671 -1.066 1.00 0.00 H new ATOM 206 N PHE A 13 -9.689 1.465 0.293 1.00 0.00 N ATOM 207 CA PHE A 13 -8.327 1.233 -0.169 1.00 0.00 C ATOM 208 C PHE A 13 -8.322 0.302 -1.381 1.00 0.00 C ATOM 209 O PHE A 13 -7.512 0.467 -2.284 1.00 0.00 O ATOM 210 CB PHE A 13 -7.489 0.638 0.969 1.00 0.00 C ATOM 211 CG PHE A 13 -6.001 0.704 0.744 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.342 -0.297 0.046 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.259 1.766 1.244 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.975 -0.239 -0.152 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.892 1.828 1.049 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.249 0.824 0.350 1.00 0.00 C ATOM 0 H PHE A 13 -9.830 1.273 1.285 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.890 2.185 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.728 1.163 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.777 -0.404 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.903 -1.132 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.756 2.553 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.475 -1.024 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.327 2.660 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.181 0.870 0.196 1.00 0.00 H new ATOM 226 N LYS A 14 -9.254 -0.650 -1.401 1.00 0.00 N ATOM 227 CA LYS A 14 -9.373 -1.596 -2.510 1.00 0.00 C ATOM 228 C LYS A 14 -9.529 -0.866 -3.844 1.00 0.00 C ATOM 229 O LYS A 14 -8.749 -1.065 -4.774 1.00 0.00 O ATOM 230 CB LYS A 14 -10.579 -2.521 -2.311 1.00 0.00 C ATOM 231 CG LYS A 14 -10.593 -3.264 -0.983 1.00 0.00 C ATOM 232 CD LYS A 14 -11.670 -4.343 -0.958 1.00 0.00 C ATOM 233 CE LYS A 14 -13.069 -3.765 -1.132 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.538 -3.043 0.081 1.00 0.00 N ATOM 0 H LYS A 14 -9.940 -0.787 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.457 -2.187 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.491 -1.930 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.599 -3.250 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.618 -3.718 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.765 -2.557 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.476 -5.066 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.617 -4.884 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.075 -3.083 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.766 -4.570 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.160 -2.259 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.063 -3.699 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.719 -2.666 0.599 1.00 0.00 H new ATOM 248 N THR A 15 -10.538 -0.009 -3.917 1.00 0.00 N ATOM 249 CA THR A 15 -10.870 0.692 -5.149 1.00 0.00 C ATOM 250 C THR A 15 -9.782 1.694 -5.519 1.00 0.00 C ATOM 251 O THR A 15 -9.408 1.832 -6.687 1.00 0.00 O ATOM 252 CB THR A 15 -12.211 1.439 -5.000 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.174 0.581 -4.375 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.735 1.896 -6.354 1.00 0.00 C ATOM 0 H THR A 15 -11.145 0.219 -3.130 1.00 0.00 H new ATOM 0 HA THR A 15 -10.951 -0.054 -5.940 1.00 0.00 H new ATOM 0 HB THR A 15 -12.046 2.321 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.025 1.058 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.681 2.420 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.011 2.567 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.888 1.029 -6.996 1.00 0.00 H new ATOM 262 N VAL A 16 -9.266 2.380 -4.517 1.00 0.00 N ATOM 263 CA VAL A 16 -8.295 3.437 -4.738 1.00 0.00 C ATOM 264 C VAL A 16 -6.930 2.874 -5.123 1.00 0.00 C ATOM 265 O VAL A 16 -6.270 3.397 -6.017 1.00 0.00 O ATOM 266 CB VAL A 16 -8.186 4.338 -3.500 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.141 5.426 -3.705 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.549 4.942 -3.200 1.00 0.00 C ATOM 0 H VAL A 16 -9.504 2.224 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.647 4.041 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.865 3.738 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.085 6.049 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.169 4.967 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.419 6.041 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.477 5.583 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.881 5.532 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.267 4.144 -3.009 1.00 0.00 H new ATOM 278 N ALA A 17 -6.519 1.799 -4.468 1.00 0.00 N ATOM 279 CA ALA A 17 -5.273 1.129 -4.824 1.00 0.00 C ATOM 280 C ALA A 17 -5.356 0.561 -6.235 1.00 0.00 C ATOM 281 O ALA A 17 -4.367 0.532 -6.964 1.00 0.00 O ATOM 282 CB ALA A 17 -4.950 0.025 -3.829 1.00 0.00 C ATOM 0 H ALA A 17 -7.025 1.372 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.471 1.866 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.017 -0.461 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.846 0.453 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.755 -0.710 -3.826 1.00 0.00 H new ATOM 288 N LYS A 18 -6.549 0.125 -6.623 1.00 0.00 N ATOM 289 CA LYS A 18 -6.754 -0.450 -7.944 1.00 0.00 C ATOM 290 C LYS A 18 -6.734 0.632 -9.017 1.00 0.00 C ATOM 291 O LYS A 18 -6.134 0.452 -10.075 1.00 0.00 O ATOM 292 CB LYS A 18 -8.065 -1.234 -7.984 1.00 0.00 C ATOM 293 CG LYS A 18 -8.219 -2.104 -9.220 1.00 0.00 C ATOM 294 CD LYS A 18 -9.244 -3.200 -8.993 1.00 0.00 C ATOM 295 CE LYS A 18 -9.371 -4.119 -10.197 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.194 -5.318 -9.887 1.00 0.00 N ATOM 0 H LYS A 18 -7.386 0.159 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.935 -1.139 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.128 -1.864 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.899 -0.533 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.522 -1.488 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.258 -2.549 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.961 -3.786 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.213 -2.751 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.821 -3.573 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.379 -4.432 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.259 -5.922 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.751 -5.852 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.148 -5.020 -9.601 1.00 0.00 H new ATOM 310 N SER A 19 -7.371 1.764 -8.740 1.00 0.00 N ATOM 311 CA SER A 19 -7.349 2.885 -9.669 1.00 0.00 C ATOM 312 C SER A 19 -5.954 3.507 -9.714 1.00 0.00 C ATOM 313 O SER A 19 -5.521 4.025 -10.744 1.00 0.00 O ATOM 314 CB SER A 19 -8.406 3.922 -9.282 1.00 0.00 C ATOM 315 OG SER A 19 -8.376 4.188 -7.891 1.00 0.00 O ATOM 0 H SER A 19 -7.905 1.928 -7.886 1.00 0.00 H new ATOM 0 HA SER A 19 -7.589 2.520 -10.668 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.234 4.845 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.395 3.561 -9.565 1.00 0.00 H new ATOM 0 HG SER A 19 -7.511 3.910 -7.523 1.00 0.00 H new ATOM 321 N TRP A 20 -5.253 3.440 -8.589 1.00 0.00 N ATOM 322 CA TRP A 20 -3.852 3.832 -8.527 1.00 0.00 C ATOM 323 C TRP A 20 -3.022 2.935 -9.441 1.00 0.00 C ATOM 324 O TRP A 20 -2.228 3.415 -10.241 1.00 0.00 O ATOM 325 CB TRP A 20 -3.345 3.742 -7.081 1.00 0.00 C ATOM 326 CG TRP A 20 -1.877 4.006 -6.928 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.263 5.222 -6.846 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.838 3.024 -6.829 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.093 5.055 -6.706 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.377 3.717 -6.695 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.819 1.626 -6.845 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.598 3.060 -6.574 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.394 0.975 -6.726 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.589 1.693 -6.591 1.00 0.00 C ATOM 0 H TRP A 20 -5.636 3.115 -7.701 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.753 4.863 -8.866 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.897 4.455 -6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.567 2.749 -6.691 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.769 6.175 -6.885 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.777 5.807 -6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.736 1.065 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.521 3.611 -6.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.421 -0.105 -6.737 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.522 1.156 -6.499 1.00 0.00 H new ATOM 345 N PHE A 21 -3.236 1.630 -9.335 1.00 0.00 N ATOM 346 CA PHE A 21 -2.531 0.654 -10.161 1.00 0.00 C ATOM 347 C PHE A 21 -2.878 0.834 -11.641 1.00 0.00 C ATOM 348 O PHE A 21 -2.070 0.538 -12.523 1.00 0.00 O ATOM 349 CB PHE A 21 -2.877 -0.768 -9.696 1.00 0.00 C ATOM 350 CG PHE A 21 -2.228 -1.859 -10.502 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.873 -2.123 -10.379 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.976 -2.622 -11.385 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.279 -3.126 -11.122 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.387 -3.626 -12.130 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.036 -3.877 -11.998 1.00 0.00 C ATOM 0 H PHE A 21 -3.899 1.218 -8.678 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.459 0.815 -10.048 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.581 -0.878 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.959 -0.897 -9.736 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.275 -1.539 -9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.033 -2.429 -11.492 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.778 -3.322 -11.017 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.982 -4.213 -12.814 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.572 -4.660 -12.579 1.00 0.00 H new ATOM 365 N ALA A 22 -4.078 1.334 -11.906 1.00 0.00 N ATOM 366 CA ALA A 22 -4.537 1.541 -13.274 1.00 0.00 C ATOM 367 C ALA A 22 -3.971 2.828 -13.871 1.00 0.00 C ATOM 368 O ALA A 22 -3.878 2.967 -15.091 1.00 0.00 O ATOM 369 CB ALA A 22 -6.057 1.563 -13.323 1.00 0.00 C ATOM 0 H ALA A 22 -4.753 1.604 -11.190 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.171 0.708 -13.874 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.386 1.718 -14.351 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.447 0.613 -12.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.430 2.373 -12.696 1.00 0.00 H new ATOM 375 N THR A 23 -3.598 3.769 -13.013 1.00 0.00 N ATOM 376 CA THR A 23 -3.066 5.047 -13.469 1.00 0.00 C ATOM 377 C THR A 23 -1.538 5.069 -13.415 1.00 0.00 C ATOM 378 O THR A 23 -0.878 5.575 -14.325 1.00 0.00 O ATOM 379 CB THR A 23 -3.622 6.220 -12.630 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.516 5.924 -11.230 1.00 0.00 O ATOM 381 CG2 THR A 23 -5.075 6.507 -12.979 1.00 0.00 C ATOM 0 H THR A 23 -3.654 3.672 -11.999 1.00 0.00 H new ATOM 0 HA THR A 23 -3.385 5.167 -14.504 1.00 0.00 H new ATOM 0 HB THR A 23 -3.028 7.104 -12.862 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.215 5.285 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.438 7.337 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.151 6.769 -14.034 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.679 5.621 -12.780 1.00 0.00 H new ATOM 389 N LYS A 24 -0.988 4.502 -12.349 1.00 0.00 N ATOM 390 CA LYS A 24 0.446 4.522 -12.109 1.00 0.00 C ATOM 391 C LYS A 24 1.168 3.559 -13.045 1.00 0.00 C ATOM 392 O LYS A 24 0.856 2.369 -13.087 1.00 0.00 O ATOM 393 CB LYS A 24 0.737 4.123 -10.658 1.00 0.00 C ATOM 394 CG LYS A 24 2.069 4.628 -10.129 1.00 0.00 C ATOM 395 CD LYS A 24 1.943 6.042 -9.593 1.00 0.00 C ATOM 396 CE LYS A 24 3.265 6.564 -9.053 1.00 0.00 C ATOM 397 NZ LYS A 24 4.236 6.858 -10.139 1.00 0.00 N ATOM 0 H LYS A 24 -1.523 4.017 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 24 0.807 5.533 -12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.062 4.503 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.717 3.036 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.424 3.967 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.813 4.602 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.590 6.701 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.193 6.065 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.087 7.469 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.694 5.828 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.038 7.396 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.582 5.966 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.769 7.418 -10.880 1.00 0.00 H new ATOM 411 N THR A 25 2.117 4.078 -13.799 1.00 0.00 N ATOM 412 CA THR A 25 2.992 3.251 -14.613 1.00 0.00 C ATOM 413 C THR A 25 4.441 3.674 -14.402 1.00 0.00 C ATOM 414 O THR A 25 4.931 4.603 -15.041 1.00 0.00 O ATOM 415 CB THR A 25 2.625 3.329 -16.113 1.00 0.00 C ATOM 416 OG1 THR A 25 2.291 4.675 -16.477 1.00 0.00 O ATOM 417 CG2 THR A 25 1.460 2.407 -16.441 1.00 0.00 C ATOM 0 H THR A 25 2.304 5.078 -13.866 1.00 0.00 H new ATOM 0 HA THR A 25 2.863 2.215 -14.299 1.00 0.00 H new ATOM 0 HB THR A 25 3.495 3.006 -16.685 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.984 5.285 -16.147 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.224 2.483 -17.502 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.731 1.379 -16.202 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.589 2.698 -15.854 1.00 0.00 H new ATOM 425 N THR A 26 5.111 3.011 -13.472 1.00 0.00 N ATOM 426 CA THR A 26 6.463 3.394 -13.099 1.00 0.00 C ATOM 427 C THR A 26 7.410 2.207 -13.172 1.00 0.00 C ATOM 428 O THR A 26 8.523 2.316 -13.689 1.00 0.00 O ATOM 429 CB THR A 26 6.491 3.989 -11.680 1.00 0.00 C ATOM 430 OG1 THR A 26 5.546 5.062 -11.593 1.00 0.00 O ATOM 431 CG2 THR A 26 7.881 4.503 -11.325 1.00 0.00 C ATOM 0 H THR A 26 4.742 2.208 -12.963 1.00 0.00 H new ATOM 0 HA THR A 26 6.795 4.151 -13.810 1.00 0.00 H new ATOM 0 HB THR A 26 6.228 3.202 -10.973 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.015 5.918 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.869 4.917 -10.317 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.596 3.681 -11.371 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.174 5.279 -12.033 1.00 0.00 H new ATOM 439 N TRP A 27 6.962 1.076 -12.663 1.00 0.00 N ATOM 440 CA TRP A 27 7.768 -0.130 -12.676 1.00 0.00 C ATOM 441 C TRP A 27 7.482 -0.937 -13.932 1.00 0.00 C ATOM 442 O TRP A 27 6.620 -0.570 -14.736 1.00 0.00 O ATOM 443 CB TRP A 27 7.483 -0.986 -11.440 1.00 0.00 C ATOM 444 CG TRP A 27 7.926 -0.370 -10.147 1.00 0.00 C ATOM 445 CD1 TRP A 27 9.212 -0.164 -9.736 1.00 0.00 C ATOM 446 CD2 TRP A 27 7.085 0.097 -9.084 1.00 0.00 C ATOM 447 NE1 TRP A 27 9.221 0.402 -8.484 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.928 0.574 -8.064 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.701 0.161 -8.896 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.436 1.102 -6.873 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.212 0.689 -7.714 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.078 1.154 -6.717 1.00 0.00 C ATOM 0 H TRP A 27 6.043 0.966 -12.235 1.00 0.00 H new ATOM 0 HA TRP A 27 8.818 0.162 -12.665 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.412 -1.182 -11.387 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.978 -1.950 -11.558 1.00 0.00 H new ATOM 0 HD1 TRP A 27 10.093 -0.410 -10.311 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.055 0.653 -7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 27 5.026 -0.195 -9.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.102 1.457 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.145 0.743 -7.558 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.665 1.562 -5.806 1.00 0.00 H new ATOM 463 N SER A 28 8.219 -2.019 -14.108 1.00 0.00 N ATOM 464 CA SER A 28 7.950 -2.949 -15.188 1.00 0.00 C ATOM 465 C SER A 28 6.644 -3.674 -14.893 1.00 0.00 C ATOM 466 O SER A 28 6.280 -3.841 -13.726 1.00 0.00 O ATOM 467 CB SER A 28 9.102 -3.949 -15.324 1.00 0.00 C ATOM 468 OG SER A 28 10.348 -3.279 -15.429 1.00 0.00 O ATOM 0 H SER A 28 9.009 -2.275 -13.516 1.00 0.00 H new ATOM 0 HA SER A 28 7.861 -2.408 -16.130 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.115 -4.614 -14.461 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.945 -4.572 -16.204 1.00 0.00 H new ATOM 0 HG SER A 28 11.068 -3.939 -15.513 1.00 0.00 H new ATOM 474 N GLU A 29 5.942 -4.089 -15.941 1.00 0.00 N ATOM 475 CA GLU A 29 4.656 -4.761 -15.793 1.00 0.00 C ATOM 476 C GLU A 29 4.798 -5.949 -14.845 1.00 0.00 C ATOM 477 O GLU A 29 4.007 -6.114 -13.923 1.00 0.00 O ATOM 478 CB GLU A 29 4.145 -5.204 -17.171 1.00 0.00 C ATOM 479 CG GLU A 29 2.653 -5.513 -17.227 1.00 0.00 C ATOM 480 CD GLU A 29 2.312 -6.928 -16.807 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.519 -7.854 -17.616 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.816 -7.122 -15.680 1.00 0.00 O ATOM 0 H GLU A 29 6.244 -3.971 -16.908 1.00 0.00 H new ATOM 0 HA GLU A 29 3.928 -4.073 -15.364 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.368 -4.420 -17.895 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.698 -6.091 -17.481 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.121 -4.813 -16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.294 -5.348 -18.243 1.00 0.00 H new ATOM 489 N ASP A 30 5.845 -6.736 -15.060 1.00 0.00 N ATOM 490 CA ASP A 30 6.146 -7.892 -14.215 1.00 0.00 C ATOM 491 C ASP A 30 6.241 -7.501 -12.741 1.00 0.00 C ATOM 492 O ASP A 30 5.562 -8.075 -11.884 1.00 0.00 O ATOM 493 CB ASP A 30 7.471 -8.525 -14.643 1.00 0.00 C ATOM 494 CG ASP A 30 7.485 -8.948 -16.097 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.696 -8.078 -16.966 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.301 -10.152 -16.374 1.00 0.00 O ATOM 0 H ASP A 30 6.509 -6.594 -15.821 1.00 0.00 H new ATOM 0 HA ASP A 30 5.331 -8.605 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.279 -7.814 -14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.671 -9.394 -14.016 1.00 0.00 H new ATOM 501 N TYR A 31 7.081 -6.513 -12.450 1.00 0.00 N ATOM 502 CA TYR A 31 7.343 -6.115 -11.072 1.00 0.00 C ATOM 503 C TYR A 31 6.130 -5.432 -10.458 1.00 0.00 C ATOM 504 O TYR A 31 5.752 -5.730 -9.328 1.00 0.00 O ATOM 505 CB TYR A 31 8.557 -5.183 -10.995 1.00 0.00 C ATOM 506 CG TYR A 31 8.940 -4.801 -9.577 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.742 -5.634 -8.805 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.495 -3.614 -9.010 1.00 0.00 C ATOM 509 CE1 TYR A 31 10.086 -5.293 -7.509 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.834 -3.267 -7.715 1.00 0.00 C ATOM 511 CZ TYR A 31 9.630 -4.107 -6.969 1.00 0.00 C ATOM 512 OH TYR A 31 9.972 -3.764 -5.680 1.00 0.00 O ATOM 0 H TYR A 31 7.591 -5.974 -13.149 1.00 0.00 H new ATOM 0 HA TYR A 31 7.556 -7.021 -10.504 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.408 -5.668 -11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.345 -4.277 -11.562 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.102 -6.562 -9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.873 -2.950 -9.591 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.709 -5.952 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.476 -2.341 -7.290 1.00 0.00 H new ATOM 0 HH TYR A 31 9.175 -3.797 -5.110 1.00 0.00 H new ATOM 522 N GLN A 32 5.513 -4.525 -11.201 1.00 0.00 N ATOM 523 CA GLN A 32 4.394 -3.761 -10.673 1.00 0.00 C ATOM 524 C GLN A 32 3.163 -4.649 -10.511 1.00 0.00 C ATOM 525 O GLN A 32 2.348 -4.430 -9.615 1.00 0.00 O ATOM 526 CB GLN A 32 4.090 -2.550 -11.556 1.00 0.00 C ATOM 527 CG GLN A 32 3.066 -1.614 -10.941 1.00 0.00 C ATOM 528 CD GLN A 32 2.906 -0.316 -11.703 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.856 0.205 -12.297 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.697 0.214 -11.687 1.00 0.00 N ATOM 0 H GLN A 32 5.766 -4.302 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 32 4.672 -3.389 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.013 -2.000 -11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.725 -2.894 -12.524 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.102 -2.121 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.358 -1.391 -9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.943 -0.252 -11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.517 1.089 -12.179 1.00 0.00 H new ATOM 539 N ARG A 33 3.036 -5.662 -11.363 1.00 0.00 N ATOM 540 CA ARG A 33 1.987 -6.661 -11.192 1.00 0.00 C ATOM 541 C ARG A 33 2.218 -7.405 -9.884 1.00 0.00 C ATOM 542 O ARG A 33 1.280 -7.690 -9.138 1.00 0.00 O ATOM 543 CB ARG A 33 1.979 -7.658 -12.351 1.00 0.00 C ATOM 544 CG ARG A 33 0.784 -8.595 -12.334 1.00 0.00 C ATOM 545 CD ARG A 33 1.035 -9.847 -13.158 1.00 0.00 C ATOM 546 NE ARG A 33 1.327 -9.561 -14.563 1.00 0.00 N ATOM 547 CZ ARG A 33 1.289 -10.485 -15.523 1.00 0.00 C ATOM 548 NH1 ARG A 33 0.948 -11.738 -15.237 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.596 -10.165 -16.772 1.00 0.00 N ATOM 0 H ARG A 33 3.640 -5.812 -12.171 1.00 0.00 H new ATOM 0 HA ARG A 33 1.023 -6.153 -11.174 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.987 -7.109 -13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.895 -8.249 -12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.558 -8.876 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.091 -8.074 -12.722 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.869 -10.399 -12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.160 -10.495 -13.100 1.00 0.00 H new ATOM 0 HE ARG A 33 1.572 -8.605 -14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.714 -11.997 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.921 -12.440 -15.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.863 -9.208 -17.002 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.565 -10.876 -17.503 1.00 0.00 H new ATOM 563 N SER A 34 3.484 -7.697 -9.610 1.00 0.00 N ATOM 564 CA SER A 34 3.872 -8.337 -8.364 1.00 0.00 C ATOM 565 C SER A 34 3.585 -7.408 -7.183 1.00 0.00 C ATOM 566 O SER A 34 3.236 -7.864 -6.097 1.00 0.00 O ATOM 567 CB SER A 34 5.354 -8.711 -8.405 1.00 0.00 C ATOM 568 OG SER A 34 5.640 -9.521 -9.536 1.00 0.00 O ATOM 0 H SER A 34 4.262 -7.498 -10.240 1.00 0.00 H new ATOM 0 HA SER A 34 3.288 -9.248 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.961 -7.806 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.624 -9.244 -7.493 1.00 0.00 H new ATOM 0 HG SER A 34 5.727 -8.954 -10.331 1.00 0.00 H new ATOM 574 N VAL A 35 3.728 -6.104 -7.410 1.00 0.00 N ATOM 575 CA VAL A 35 3.376 -5.103 -6.408 1.00 0.00 C ATOM 576 C VAL A 35 1.882 -5.156 -6.112 1.00 0.00 C ATOM 577 O VAL A 35 1.469 -5.153 -4.954 1.00 0.00 O ATOM 578 CB VAL A 35 3.755 -3.676 -6.870 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.262 -2.632 -5.879 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.258 -3.558 -7.056 1.00 0.00 C ATOM 0 H VAL A 35 4.087 -5.716 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 35 3.940 -5.333 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 35 3.268 -3.492 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.542 -1.638 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.177 -2.695 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.713 -2.814 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.506 -2.548 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.759 -3.769 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.589 -4.273 -7.809 1.00 0.00 H new ATOM 590 N TRP A 36 1.085 -5.219 -7.170 1.00 0.00 N ATOM 591 CA TRP A 36 -0.363 -5.315 -7.049 1.00 0.00 C ATOM 592 C TRP A 36 -0.758 -6.545 -6.235 1.00 0.00 C ATOM 593 O TRP A 36 -1.536 -6.452 -5.283 1.00 0.00 O ATOM 594 CB TRP A 36 -0.994 -5.366 -8.441 1.00 0.00 C ATOM 595 CG TRP A 36 -2.472 -5.612 -8.430 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.128 -6.664 -9.000 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.474 -4.801 -7.810 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.476 -6.552 -8.781 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.715 -5.418 -8.049 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.442 -3.610 -7.077 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.913 -4.886 -7.580 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.630 -3.086 -6.610 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.851 -3.724 -6.862 1.00 0.00 C ATOM 0 H TRP A 36 1.422 -5.205 -8.132 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.731 -4.434 -6.524 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.796 -4.424 -8.953 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.509 -6.152 -9.020 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.654 -7.467 -9.544 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.186 -7.206 -9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.505 -3.110 -6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.857 -5.373 -7.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.618 -2.168 -6.041 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.763 -3.289 -6.481 1.00 0.00 H new ATOM 614 N THR A 37 -0.205 -7.690 -6.601 1.00 0.00 N ATOM 615 CA THR A 37 -0.480 -8.928 -5.893 1.00 0.00 C ATOM 616 C THR A 37 0.063 -8.873 -4.461 1.00 0.00 C ATOM 617 O THR A 37 -0.525 -9.440 -3.536 1.00 0.00 O ATOM 618 CB THR A 37 0.125 -10.125 -6.648 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.361 -10.120 -7.997 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.242 -11.441 -5.979 1.00 0.00 C ATOM 0 H THR A 37 0.439 -7.787 -7.386 1.00 0.00 H new ATOM 0 HA THR A 37 -1.561 -9.056 -5.843 1.00 0.00 H new ATOM 0 HB THR A 37 1.211 -10.031 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.069 -9.395 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.200 -12.268 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.137 -11.448 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.326 -11.552 -5.965 1.00 0.00 H new ATOM 628 N ARG A 38 1.176 -8.172 -4.282 1.00 0.00 N ATOM 629 CA ARG A 38 1.758 -7.973 -2.961 1.00 0.00 C ATOM 630 C ARG A 38 0.806 -7.163 -2.091 1.00 0.00 C ATOM 631 O ARG A 38 0.656 -7.437 -0.897 1.00 0.00 O ATOM 632 CB ARG A 38 3.111 -7.272 -3.091 1.00 0.00 C ATOM 633 CG ARG A 38 3.890 -7.160 -1.791 1.00 0.00 C ATOM 634 CD ARG A 38 5.367 -6.936 -2.066 1.00 0.00 C ATOM 635 NE ARG A 38 5.936 -8.044 -2.832 1.00 0.00 N ATOM 636 CZ ARG A 38 6.804 -7.901 -3.836 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.258 -6.697 -4.178 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.218 -8.969 -4.503 1.00 0.00 N ATOM 0 H ARG A 38 1.696 -7.730 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 38 1.916 -8.941 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.718 -7.812 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.950 -6.271 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.497 -6.336 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.758 -8.068 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.500 -6.004 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.903 -6.829 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 38 5.650 -8.991 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.943 -5.870 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.921 -6.602 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.873 -9.895 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.881 -8.865 -5.271 1.00 0.00 H new ATOM 652 N LEU A 39 0.155 -6.176 -2.699 1.00 0.00 N ATOM 653 CA LEU A 39 -0.880 -5.414 -2.017 1.00 0.00 C ATOM 654 C LEU A 39 -2.007 -6.340 -1.591 1.00 0.00 C ATOM 655 O LEU A 39 -2.330 -6.420 -0.411 1.00 0.00 O ATOM 656 CB LEU A 39 -1.439 -4.311 -2.921 1.00 0.00 C ATOM 657 CG LEU A 39 -0.441 -3.232 -3.343 1.00 0.00 C ATOM 658 CD1 LEU A 39 -1.110 -2.233 -4.273 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.138 -2.524 -2.125 1.00 0.00 C ATOM 0 H LEU A 39 0.327 -5.887 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.434 -4.948 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.847 -4.774 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.270 -3.830 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 39 0.379 -3.711 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.389 -1.470 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.473 -2.750 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.948 -1.762 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.845 -1.761 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.667 -2.055 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.651 -3.249 -1.493 1.00 0.00 H new ATOM 671 N GLU A 40 -2.567 -7.066 -2.565 1.00 0.00 N ATOM 672 CA GLU A 40 -3.676 -7.993 -2.318 1.00 0.00 C ATOM 673 C GLU A 40 -3.346 -8.959 -1.183 1.00 0.00 C ATOM 674 O GLU A 40 -4.202 -9.288 -0.361 1.00 0.00 O ATOM 675 CB GLU A 40 -3.997 -8.805 -3.578 1.00 0.00 C ATOM 676 CG GLU A 40 -4.350 -7.970 -4.799 1.00 0.00 C ATOM 677 CD GLU A 40 -4.644 -8.832 -6.016 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.756 -9.615 -6.424 1.00 0.00 O ATOM 679 OE2 GLU A 40 -5.765 -8.741 -6.567 1.00 0.00 O ATOM 0 H GLU A 40 -2.267 -7.028 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.541 -7.392 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.138 -9.431 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.829 -9.475 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.219 -7.351 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.526 -7.293 -5.025 1.00 0.00 H new ATOM 686 N THR A 41 -2.100 -9.410 -1.148 1.00 0.00 N ATOM 687 CA THR A 41 -1.664 -10.375 -0.153 1.00 0.00 C ATOM 688 C THR A 41 -1.626 -9.760 1.250 1.00 0.00 C ATOM 689 O THR A 41 -2.306 -10.236 2.161 1.00 0.00 O ATOM 690 CB THR A 41 -0.270 -10.941 -0.502 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.276 -11.481 -1.834 1.00 0.00 O ATOM 692 CG2 THR A 41 0.143 -12.029 0.479 1.00 0.00 C ATOM 0 H THR A 41 -1.372 -9.121 -1.801 1.00 0.00 H new ATOM 0 HA THR A 41 -2.392 -11.186 -0.159 1.00 0.00 H new ATOM 0 HB THR A 41 0.448 -10.123 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.175 -10.753 -2.482 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.128 -12.408 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.178 -11.616 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.581 -12.843 0.445 1.00 0.00 H new ATOM 700 N TYR A 42 -0.853 -8.694 1.417 1.00 0.00 N ATOM 701 CA TYR A 42 -0.600 -8.151 2.748 1.00 0.00 C ATOM 702 C TYR A 42 -1.480 -6.945 3.052 1.00 0.00 C ATOM 703 O TYR A 42 -2.267 -6.960 3.997 1.00 0.00 O ATOM 704 CB TYR A 42 0.869 -7.740 2.883 1.00 0.00 C ATOM 705 CG TYR A 42 1.849 -8.800 2.438 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.114 -9.912 3.226 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.518 -8.680 1.228 1.00 0.00 C ATOM 708 CE1 TYR A 42 3.016 -10.876 2.817 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.419 -9.638 0.812 1.00 0.00 C ATOM 710 CZ TYR A 42 3.667 -10.733 1.608 1.00 0.00 C ATOM 711 OH TYR A 42 4.565 -11.688 1.191 1.00 0.00 O ATOM 0 H TYR A 42 -0.394 -8.192 0.657 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.839 -8.939 3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.038 -6.836 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.071 -7.488 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.608 -10.025 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.330 -7.821 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.211 -11.737 3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.928 -9.529 -0.134 1.00 0.00 H new ATOM 0 HH TYR A 42 4.932 -11.433 0.319 1.00 0.00 H new ATOM 721 N LEU A 43 -1.360 -5.913 2.232 1.00 0.00 N ATOM 722 CA LEU A 43 -1.936 -4.614 2.546 1.00 0.00 C ATOM 723 C LEU A 43 -3.241 -4.402 1.784 1.00 0.00 C ATOM 724 O LEU A 43 -3.406 -3.420 1.060 1.00 0.00 O ATOM 725 CB LEU A 43 -0.930 -3.513 2.201 1.00 0.00 C ATOM 726 CG LEU A 43 -1.212 -2.150 2.826 1.00 0.00 C ATOM 727 CD1 LEU A 43 -1.118 -2.228 4.341 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.249 -1.109 2.288 1.00 0.00 C ATOM 0 H LEU A 43 -0.867 -5.950 1.340 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.160 -4.575 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.062 -3.839 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.900 -3.398 1.118 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.226 -1.853 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.322 -1.247 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.848 -2.946 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.116 -2.548 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.465 -0.143 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.774 -1.402 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.363 -1.033 1.207 1.00 0.00 H new ATOM 740 N PHE A 44 -4.169 -5.326 1.959 1.00 0.00 N ATOM 741 CA PHE A 44 -5.443 -5.275 1.253 1.00 0.00 C ATOM 742 C PHE A 44 -6.601 -5.787 2.118 1.00 0.00 C ATOM 743 O PHE A 44 -7.633 -5.134 2.194 1.00 0.00 O ATOM 744 CB PHE A 44 -5.369 -6.082 -0.045 1.00 0.00 C ATOM 745 CG PHE A 44 -5.912 -5.354 -1.242 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.179 -4.341 -1.836 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.147 -5.686 -1.777 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.665 -3.670 -2.941 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.639 -5.017 -2.883 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.895 -4.008 -3.465 1.00 0.00 C ATOM 0 H PHE A 44 -4.066 -6.124 2.585 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.638 -4.228 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.330 -6.352 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.922 -7.013 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.215 -4.072 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.731 -6.475 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.082 -2.882 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.603 -5.283 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.277 -3.485 -4.329 1.00 0.00 H new ATOM 760 N PRO A 45 -6.469 -6.959 2.782 1.00 0.00 N ATOM 761 CA PRO A 45 -7.567 -7.520 3.579 1.00 0.00 C ATOM 762 C PRO A 45 -7.885 -6.693 4.825 1.00 0.00 C ATOM 763 O PRO A 45 -9.052 -6.440 5.130 1.00 0.00 O ATOM 764 CB PRO A 45 -7.056 -8.908 3.978 1.00 0.00 C ATOM 765 CG PRO A 45 -5.573 -8.815 3.894 1.00 0.00 C ATOM 766 CD PRO A 45 -5.276 -7.828 2.802 1.00 0.00 C ATOM 0 HA PRO A 45 -8.498 -7.538 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.378 -9.172 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.441 -9.677 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.149 -8.485 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.134 -9.787 3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.370 -7.259 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.126 -8.325 1.843 1.00 0.00 H new ATOM 774 N ASP A 46 -6.842 -6.267 5.529 1.00 0.00 N ATOM 775 CA ASP A 46 -6.992 -5.544 6.790 1.00 0.00 C ATOM 776 C ASP A 46 -7.715 -4.214 6.583 1.00 0.00 C ATOM 777 O ASP A 46 -8.709 -3.920 7.247 1.00 0.00 O ATOM 778 CB ASP A 46 -5.613 -5.295 7.415 1.00 0.00 C ATOM 779 CG ASP A 46 -4.821 -6.573 7.633 1.00 0.00 C ATOM 780 OD1 ASP A 46 -4.273 -7.115 6.647 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.737 -7.038 8.788 1.00 0.00 O ATOM 0 H ASP A 46 -5.873 -6.411 5.245 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.593 -6.156 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.043 -4.626 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.740 -4.785 8.370 1.00 0.00 H new ATOM 786 N ILE A 47 -7.217 -3.424 5.644 1.00 0.00 N ATOM 787 CA ILE A 47 -7.741 -2.087 5.386 1.00 0.00 C ATOM 788 C ILE A 47 -8.734 -2.075 4.227 1.00 0.00 C ATOM 789 O ILE A 47 -9.185 -1.013 3.798 1.00 0.00 O ATOM 790 CB ILE A 47 -6.587 -1.127 5.049 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.733 -1.734 3.931 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.750 -0.841 6.286 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.494 -0.942 3.600 1.00 0.00 C ATOM 0 H ILE A 47 -6.440 -3.689 5.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.258 -1.766 6.290 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.995 -0.177 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.439 -2.743 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.343 -1.826 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.939 -0.160 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.377 -0.384 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.333 -1.773 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.947 -1.440 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.778 0.060 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.860 -0.872 4.484 1.00 0.00 H new ATOM 805 N GLY A 48 -9.081 -3.258 3.741 1.00 0.00 N ATOM 806 CA GLY A 48 -9.891 -3.370 2.541 1.00 0.00 C ATOM 807 C GLY A 48 -11.251 -2.724 2.663 1.00 0.00 C ATOM 808 O GLY A 48 -11.685 -2.004 1.762 1.00 0.00 O ATOM 0 H GLY A 48 -8.815 -4.150 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.356 -2.914 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.020 -4.425 2.298 1.00 0.00 H new ATOM 812 N ASN A 49 -11.929 -2.975 3.767 1.00 0.00 N ATOM 813 CA ASN A 49 -13.280 -2.467 3.951 1.00 0.00 C ATOM 814 C ASN A 49 -13.295 -1.283 4.906 1.00 0.00 C ATOM 815 O ASN A 49 -14.338 -0.925 5.450 1.00 0.00 O ATOM 816 CB ASN A 49 -14.202 -3.576 4.457 1.00 0.00 C ATOM 817 CG ASN A 49 -14.397 -4.675 3.431 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.365 -4.429 2.223 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.589 -5.895 3.899 1.00 0.00 N ATOM 0 H ASN A 49 -11.571 -3.525 4.548 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.646 -2.123 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.786 -4.003 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.171 -3.149 4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.717 -6.674 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.609 -6.058 4.906 1.00 0.00 H new ATOM 826 N LYS A 50 -12.137 -0.671 5.099 1.00 0.00 N ATOM 827 CA LYS A 50 -12.042 0.509 5.937 1.00 0.00 C ATOM 828 C LYS A 50 -12.278 1.763 5.109 1.00 0.00 C ATOM 829 O LYS A 50 -12.024 1.783 3.903 1.00 0.00 O ATOM 830 CB LYS A 50 -10.682 0.563 6.630 1.00 0.00 C ATOM 831 CG LYS A 50 -10.572 -0.388 7.811 1.00 0.00 C ATOM 832 CD LYS A 50 -9.134 -0.556 8.256 1.00 0.00 C ATOM 833 CE LYS A 50 -9.040 -1.301 9.576 1.00 0.00 C ATOM 834 NZ LYS A 50 -9.385 -0.432 10.733 1.00 0.00 N ATOM 0 H LYS A 50 -11.254 -0.972 4.687 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.813 0.456 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.903 0.324 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.497 1.581 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.169 -0.010 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.985 -1.359 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.577 -1.098 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.667 0.424 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.710 -2.160 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.029 -1.688 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.846 -1.003 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.518 -0.005 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.033 0.320 10.422 1.00 0.00 H new ATOM 848 N ASP A 51 -12.761 2.809 5.768 1.00 0.00 N ATOM 849 CA ASP A 51 -13.132 4.051 5.093 1.00 0.00 C ATOM 850 C ASP A 51 -11.910 4.838 4.638 1.00 0.00 C ATOM 851 O ASP A 51 -12.053 5.889 4.016 1.00 0.00 O ATOM 852 CB ASP A 51 -13.972 4.930 6.024 1.00 0.00 C ATOM 853 CG ASP A 51 -15.270 4.275 6.434 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.261 3.478 7.396 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.311 4.562 5.810 1.00 0.00 O ATOM 0 H ASP A 51 -12.907 2.823 6.777 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.712 3.776 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.391 5.165 6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.189 5.875 5.526 1.00 0.00 H new ATOM 860 N ILE A 52 -10.719 4.336 4.974 1.00 0.00 N ATOM 861 CA ILE A 52 -9.454 4.999 4.644 1.00 0.00 C ATOM 862 C ILE A 52 -9.239 6.250 5.512 1.00 0.00 C ATOM 863 O ILE A 52 -8.143 6.475 6.024 1.00 0.00 O ATOM 864 CB ILE A 52 -9.365 5.331 3.123 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.271 4.489 2.453 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.124 6.814 2.872 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.862 4.943 2.776 1.00 0.00 C ATOM 0 H ILE A 52 -10.604 3.459 5.482 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.646 4.303 4.869 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.329 5.080 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.387 3.450 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.413 4.519 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.069 6.997 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.944 7.393 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.186 7.115 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.146 4.299 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.726 5.972 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.699 4.885 3.852 1.00 0.00 H new ATOM 879 N ALA A 53 -10.292 7.041 5.701 1.00 0.00 N ATOM 880 CA ALA A 53 -10.238 8.202 6.576 1.00 0.00 C ATOM 881 C ALA A 53 -10.261 7.757 8.033 1.00 0.00 C ATOM 882 O ALA A 53 -9.884 8.505 8.936 1.00 0.00 O ATOM 883 CB ALA A 53 -11.398 9.140 6.282 1.00 0.00 C ATOM 0 H ALA A 53 -11.198 6.895 5.255 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.309 8.741 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.344 10.004 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.343 9.473 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.340 8.616 6.445 1.00 0.00 H new ATOM 889 N GLU A 54 -10.711 6.523 8.241 1.00 0.00 N ATOM 890 CA GLU A 54 -10.716 5.910 9.563 1.00 0.00 C ATOM 891 C GLU A 54 -9.299 5.524 9.972 1.00 0.00 C ATOM 892 O GLU A 54 -8.976 5.458 11.160 1.00 0.00 O ATOM 893 CB GLU A 54 -11.600 4.657 9.558 1.00 0.00 C ATOM 894 CG GLU A 54 -11.660 3.951 10.904 1.00 0.00 C ATOM 895 CD GLU A 54 -12.127 2.515 10.798 1.00 0.00 C ATOM 896 OE1 GLU A 54 -13.350 2.278 10.819 1.00 0.00 O ATOM 897 OE2 GLU A 54 -11.268 1.612 10.704 1.00 0.00 O ATOM 0 H GLU A 54 -11.080 5.924 7.502 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.112 6.632 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.610 4.936 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.225 3.961 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.672 3.973 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.332 4.498 11.565 1.00 0.00 H new ATOM 904 N LEU A 55 -8.459 5.291 8.974 1.00 0.00 N ATOM 905 CA LEU A 55 -7.119 4.772 9.197 1.00 0.00 C ATOM 906 C LEU A 55 -6.240 5.765 9.941 1.00 0.00 C ATOM 907 O LEU A 55 -5.846 6.805 9.406 1.00 0.00 O ATOM 908 CB LEU A 55 -6.476 4.376 7.865 1.00 0.00 C ATOM 909 CG LEU A 55 -7.112 3.157 7.192 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.523 2.926 5.812 1.00 0.00 C ATOM 911 CD2 LEU A 55 -6.920 1.924 8.056 1.00 0.00 C ATOM 0 H LEU A 55 -8.686 5.455 7.993 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.209 3.887 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.533 5.224 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.418 4.172 8.033 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.179 3.350 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.993 2.054 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.703 3.802 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.450 2.756 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.376 1.063 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.855 1.740 8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.391 2.083 9.026 1.00 0.00 H new ATOM 923 N ASP A 56 -5.967 5.438 11.191 1.00 0.00 N ATOM 924 CA ASP A 56 -5.025 6.190 12.004 1.00 0.00 C ATOM 925 C ASP A 56 -3.615 5.742 11.647 1.00 0.00 C ATOM 926 O ASP A 56 -3.443 4.667 11.071 1.00 0.00 O ATOM 927 CB ASP A 56 -5.312 5.940 13.494 1.00 0.00 C ATOM 928 CG ASP A 56 -4.375 6.687 14.426 1.00 0.00 C ATOM 929 OD1 ASP A 56 -3.316 6.128 14.786 1.00 0.00 O ATOM 930 OD2 ASP A 56 -4.695 7.833 14.807 1.00 0.00 O ATOM 0 H ASP A 56 -6.391 4.645 11.672 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.126 7.258 11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.339 6.234 13.712 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.237 4.872 13.696 1.00 0.00 H new ATOM 935 N THR A 57 -2.614 6.550 11.975 1.00 0.00 N ATOM 936 CA THR A 57 -1.230 6.195 11.700 1.00 0.00 C ATOM 937 C THR A 57 -0.908 4.805 12.248 1.00 0.00 C ATOM 938 O THR A 57 -0.328 3.970 11.555 1.00 0.00 O ATOM 939 CB THR A 57 -0.257 7.217 12.316 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.608 8.541 11.896 1.00 0.00 O ATOM 941 CG2 THR A 57 1.174 6.910 11.903 1.00 0.00 C ATOM 0 H THR A 57 -2.736 7.454 12.431 1.00 0.00 H new ATOM 0 HA THR A 57 -1.106 6.197 10.617 1.00 0.00 H new ATOM 0 HB THR A 57 -0.329 7.151 13.402 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.014 9.186 12.293 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.846 7.643 12.348 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.446 5.912 12.247 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.257 6.954 10.817 1.00 0.00 H new ATOM 949 N GLY A 58 -1.333 4.553 13.481 1.00 0.00 N ATOM 950 CA GLY A 58 -1.060 3.277 14.111 1.00 0.00 C ATOM 951 C GLY A 58 -1.884 2.154 13.516 1.00 0.00 C ATOM 952 O GLY A 58 -1.469 1.000 13.533 1.00 0.00 O ATOM 0 H GLY A 58 -1.862 5.210 14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.001 3.042 14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.267 3.350 15.179 1.00 0.00 H new ATOM 956 N ASP A 59 -3.042 2.503 12.963 1.00 0.00 N ATOM 957 CA ASP A 59 -3.949 1.516 12.381 1.00 0.00 C ATOM 958 C ASP A 59 -3.419 1.059 11.024 1.00 0.00 C ATOM 959 O ASP A 59 -3.791 0.003 10.517 1.00 0.00 O ATOM 960 CB ASP A 59 -5.360 2.105 12.252 1.00 0.00 C ATOM 961 CG ASP A 59 -6.432 1.047 12.048 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.414 0.026 12.771 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.314 1.242 11.183 1.00 0.00 O ATOM 0 H ASP A 59 -3.376 3.465 12.905 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.004 0.648 13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.591 2.679 13.149 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.381 2.801 11.414 1.00 0.00 H new ATOM 968 N LEU A 60 -2.541 1.876 10.449 1.00 0.00 N ATOM 969 CA LEU A 60 -1.802 1.514 9.242 1.00 0.00 C ATOM 970 C LEU A 60 -0.522 0.772 9.611 1.00 0.00 C ATOM 971 O LEU A 60 -0.064 -0.122 8.888 1.00 0.00 O ATOM 972 CB LEU A 60 -1.447 2.770 8.444 1.00 0.00 C ATOM 973 CG LEU A 60 -2.565 3.333 7.573 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.255 4.768 7.183 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.736 2.478 6.330 1.00 0.00 C ATOM 0 H LEU A 60 -2.322 2.806 10.805 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.432 0.866 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.129 3.545 9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.592 2.545 7.806 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.495 3.319 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.061 5.158 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.162 5.377 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.319 4.799 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.537 2.888 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.806 2.473 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.988 1.458 6.622 1.00 0.00 H new ATOM 987 N LEU A 61 0.050 1.151 10.746 1.00 0.00 N ATOM 988 CA LEU A 61 1.279 0.541 11.222 1.00 0.00 C ATOM 989 C LEU A 61 1.082 -0.931 11.537 1.00 0.00 C ATOM 990 O LEU A 61 2.005 -1.715 11.389 1.00 0.00 O ATOM 991 CB LEU A 61 1.811 1.263 12.463 1.00 0.00 C ATOM 992 CG LEU A 61 2.345 2.675 12.224 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.897 3.251 13.517 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.413 2.671 11.140 1.00 0.00 C ATOM 0 H LEU A 61 -0.321 1.881 11.354 1.00 0.00 H new ATOM 0 HA LEU A 61 2.010 0.632 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.011 1.316 13.202 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.608 0.661 12.899 1.00 0.00 H new ATOM 0 HG LEU A 61 1.522 3.304 11.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.275 4.257 13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.105 3.290 14.265 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.708 2.619 13.880 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.779 3.686 10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.240 2.030 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.986 2.294 10.210 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.117 -1.308 11.968 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.377 -2.700 12.330 1.00 0.00 C ATOM 1008 C VAL A 62 -0.275 -3.637 11.117 1.00 0.00 C ATOM 1009 O VAL A 62 0.371 -4.667 11.215 1.00 0.00 O ATOM 1010 CB VAL A 62 -1.732 -2.896 13.048 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -1.898 -4.349 13.476 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -1.828 -1.979 14.256 1.00 0.00 C ATOM 0 H VAL A 62 -0.915 -0.681 12.075 1.00 0.00 H new ATOM 0 HA VAL A 62 0.406 -2.967 13.040 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.533 -2.642 12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.856 -4.473 13.980 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.865 -4.993 12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.092 -4.622 14.157 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.788 -2.129 14.751 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.021 -2.208 14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.744 -0.941 13.933 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.922 -3.333 9.968 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.680 -4.072 8.718 1.00 0.00 C ATOM 1024 C PRO A 63 0.808 -4.155 8.369 1.00 0.00 C ATOM 1025 O PRO A 63 1.318 -5.225 8.025 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.427 -3.252 7.669 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.523 -2.589 8.422 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.983 -2.321 9.802 1.00 0.00 C ATOM 0 HA PRO A 63 -1.015 -5.107 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.771 -2.520 7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.819 -3.887 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.824 -1.661 7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.406 -3.227 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.587 -1.309 9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.758 -2.425 10.562 1.00 0.00 H new ATOM 1036 N ILE A 64 1.507 -3.026 8.459 1.00 0.00 N ATOM 1037 CA ILE A 64 2.949 -3.014 8.219 1.00 0.00 C ATOM 1038 C ILE A 64 3.657 -3.918 9.232 1.00 0.00 C ATOM 1039 O ILE A 64 4.565 -4.675 8.891 1.00 0.00 O ATOM 1040 CB ILE A 64 3.527 -1.581 8.307 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.824 -0.668 7.298 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.035 -1.588 8.065 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.265 0.778 7.370 1.00 0.00 C ATOM 0 H ILE A 64 1.105 -2.118 8.693 1.00 0.00 H new ATOM 0 HA ILE A 64 3.121 -3.388 7.210 1.00 0.00 H new ATOM 0 HB ILE A 64 3.349 -1.197 9.311 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.008 -1.044 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.748 -0.718 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.419 -0.570 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.521 -2.209 8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.242 -1.990 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.723 1.361 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.055 1.173 8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.335 0.842 7.173 1.00 0.00 H new ATOM 1055 N LYS A 65 3.191 -3.850 10.470 1.00 0.00 N ATOM 1056 CA LYS A 65 3.732 -4.644 11.564 1.00 0.00 C ATOM 1057 C LYS A 65 3.339 -6.112 11.417 1.00 0.00 C ATOM 1058 O LYS A 65 3.985 -7.003 11.960 1.00 0.00 O ATOM 1059 CB LYS A 65 3.214 -4.084 12.884 1.00 0.00 C ATOM 1060 CG LYS A 65 3.904 -4.642 14.104 1.00 0.00 C ATOM 1061 CD LYS A 65 3.445 -3.925 15.357 1.00 0.00 C ATOM 1062 CE LYS A 65 4.371 -4.219 16.513 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.786 -3.887 16.175 1.00 0.00 N ATOM 0 H LYS A 65 2.422 -3.239 10.746 1.00 0.00 H new ATOM 0 HA LYS A 65 4.820 -4.589 11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.331 -3.000 12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.146 -4.288 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.693 -5.708 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.984 -4.539 13.996 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.413 -2.851 15.175 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.431 -4.236 15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.060 -3.645 17.386 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.297 -5.273 16.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.306 -3.655 17.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.233 -4.704 15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.807 -3.070 15.532 1.00 0.00 H new ATOM 1077 N LYS A 66 2.265 -6.346 10.689 1.00 0.00 N ATOM 1078 CA LYS A 66 1.832 -7.686 10.337 1.00 0.00 C ATOM 1079 C LYS A 66 2.849 -8.311 9.391 1.00 0.00 C ATOM 1080 O LYS A 66 3.055 -9.523 9.383 1.00 0.00 O ATOM 1081 CB LYS A 66 0.438 -7.602 9.702 1.00 0.00 C ATOM 1082 CG LYS A 66 -0.045 -8.862 9.009 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.424 -8.633 8.413 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.831 -9.751 7.475 1.00 0.00 C ATOM 1085 NZ LYS A 66 -3.197 -9.539 6.930 1.00 0.00 N ATOM 0 H LYS A 66 1.664 -5.608 10.322 1.00 0.00 H new ATOM 0 HA LYS A 66 1.768 -8.320 11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.280 -7.338 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.437 -6.788 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.656 -9.147 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.080 -9.687 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.156 -8.549 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.433 -7.686 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.117 -9.815 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.794 -10.703 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.346 -10.166 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.901 -9.753 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.301 -8.549 6.629 1.00 0.00 H new ATOM 1099 N ILE A 67 3.500 -7.461 8.611 1.00 0.00 N ATOM 1100 CA ILE A 67 4.596 -7.893 7.758 1.00 0.00 C ATOM 1101 C ILE A 67 5.889 -8.008 8.574 1.00 0.00 C ATOM 1102 O ILE A 67 6.743 -8.853 8.288 1.00 0.00 O ATOM 1103 CB ILE A 67 4.777 -6.931 6.569 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.436 -6.754 5.852 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.829 -7.466 5.606 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.428 -5.653 4.818 1.00 0.00 C ATOM 0 H ILE A 67 3.287 -6.465 8.551 1.00 0.00 H new ATOM 0 HA ILE A 67 4.355 -8.877 7.355 1.00 0.00 H new ATOM 0 HB ILE A 67 5.118 -5.964 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.168 -7.693 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.665 -6.546 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.944 -6.774 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.781 -7.568 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.516 -8.440 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.442 -5.594 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.662 -4.702 5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.174 -5.867 4.053 1.00 0.00 H new ATOM 1118 N GLU A 68 6.027 -7.167 9.605 1.00 0.00 N ATOM 1119 CA GLU A 68 7.086 -7.355 10.603 1.00 0.00 C ATOM 1120 C GLU A 68 6.933 -8.729 11.242 1.00 0.00 C ATOM 1121 O GLU A 68 7.898 -9.472 11.414 1.00 0.00 O ATOM 1122 CB GLU A 68 7.012 -6.297 11.711 1.00 0.00 C ATOM 1123 CG GLU A 68 7.349 -4.881 11.278 1.00 0.00 C ATOM 1124 CD GLU A 68 7.228 -3.898 12.429 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.775 -4.179 13.521 1.00 0.00 O ATOM 1126 OE2 GLU A 68 6.562 -2.858 12.266 1.00 0.00 O ATOM 0 H GLU A 68 5.427 -6.359 9.770 1.00 0.00 H new ATOM 0 HA GLU A 68 8.045 -7.262 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.005 -6.302 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.692 -6.586 12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.364 -4.854 10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.683 -4.579 10.470 1.00 0.00 H new ATOM 1133 N LYS A 69 5.689 -9.044 11.576 1.00 0.00 N ATOM 1134 CA LYS A 69 5.308 -10.320 12.168 1.00 0.00 C ATOM 1135 C LYS A 69 5.552 -11.470 11.189 1.00 0.00 C ATOM 1136 O LYS A 69 5.686 -12.629 11.586 1.00 0.00 O ATOM 1137 CB LYS A 69 3.830 -10.238 12.562 1.00 0.00 C ATOM 1138 CG LYS A 69 3.238 -11.507 13.151 1.00 0.00 C ATOM 1139 CD LYS A 69 1.782 -11.285 13.526 1.00 0.00 C ATOM 1140 CE LYS A 69 1.105 -12.570 13.959 1.00 0.00 C ATOM 1141 NZ LYS A 69 -0.306 -12.334 14.362 1.00 0.00 N ATOM 0 H LYS A 69 4.902 -8.409 11.441 1.00 0.00 H new ATOM 0 HA LYS A 69 5.916 -10.518 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.709 -9.432 13.286 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.252 -9.964 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.315 -12.321 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.806 -11.807 14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.723 -10.554 14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.248 -10.863 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.135 -13.291 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.654 -13.009 14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.739 -13.234 14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.333 -11.664 15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.835 -11.938 13.559 1.00 0.00 H new ATOM 1155 N LEU A 70 5.616 -11.139 9.905 1.00 0.00 N ATOM 1156 CA LEU A 70 5.911 -12.122 8.876 1.00 0.00 C ATOM 1157 C LEU A 70 7.401 -12.454 8.881 1.00 0.00 C ATOM 1158 O LEU A 70 7.831 -13.451 8.303 1.00 0.00 O ATOM 1159 CB LEU A 70 5.496 -11.595 7.500 1.00 0.00 C ATOM 1160 CG LEU A 70 5.635 -12.588 6.347 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.620 -13.709 6.486 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.474 -11.880 5.012 1.00 0.00 C ATOM 0 H LEU A 70 5.467 -10.193 9.553 1.00 0.00 H new ATOM 0 HA LEU A 70 5.344 -13.029 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.457 -11.269 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.095 -10.714 7.272 1.00 0.00 H new ATOM 0 HG LEU A 70 6.633 -13.024 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.733 -14.407 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.784 -14.234 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.613 -13.292 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.576 -12.603 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.489 -11.416 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.242 -11.113 4.912 1.00 0.00 H new ATOM 1174 N GLY A 71 8.183 -11.610 9.545 1.00 0.00 N ATOM 1175 CA GLY A 71 9.611 -11.821 9.613 1.00 0.00 C ATOM 1176 C GLY A 71 10.332 -11.193 8.442 1.00 0.00 C ATOM 1177 O GLY A 71 11.479 -11.538 8.153 1.00 0.00 O ATOM 0 H GLY A 71 7.849 -10.782 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.996 -11.402 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.819 -12.891 9.636 1.00 0.00 H new ATOM 1181 N TYR A 72 9.663 -10.269 7.766 1.00 0.00 N ATOM 1182 CA TYR A 72 10.243 -9.603 6.609 1.00 0.00 C ATOM 1183 C TYR A 72 10.191 -8.088 6.755 1.00 0.00 C ATOM 1184 O TYR A 72 9.222 -7.449 6.348 1.00 0.00 O ATOM 1185 CB TYR A 72 9.529 -10.023 5.323 1.00 0.00 C ATOM 1186 CG TYR A 72 9.924 -11.392 4.817 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.020 -11.547 3.980 1.00 0.00 C ATOM 1188 CD2 TYR A 72 9.201 -12.524 5.171 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.385 -12.792 3.506 1.00 0.00 C ATOM 1190 CE2 TYR A 72 9.562 -13.773 4.703 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.655 -13.901 3.872 1.00 0.00 C ATOM 1192 OH TYR A 72 11.015 -15.144 3.398 1.00 0.00 O ATOM 0 H TYR A 72 8.718 -9.964 7.999 1.00 0.00 H new ATOM 0 HA TYR A 72 11.288 -9.908 6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.453 -10.008 5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.738 -9.286 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.597 -10.680 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.344 -12.427 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.238 -12.895 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.991 -14.645 4.987 1.00 0.00 H new ATOM 0 HH TYR A 72 10.399 -15.820 3.751 1.00 0.00 H new ATOM 1202 N LEU A 73 11.236 -7.523 7.345 1.00 0.00 N ATOM 1203 CA LEU A 73 11.362 -6.074 7.464 1.00 0.00 C ATOM 1204 C LEU A 73 11.491 -5.452 6.088 1.00 0.00 C ATOM 1205 O LEU A 73 10.742 -4.549 5.747 1.00 0.00 O ATOM 1206 CB LEU A 73 12.570 -5.711 8.332 1.00 0.00 C ATOM 1207 CG LEU A 73 12.465 -6.151 9.793 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.687 -5.700 10.577 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.190 -5.600 10.417 1.00 0.00 C ATOM 0 H LEU A 73 12.012 -8.047 7.750 1.00 0.00 H new ATOM 0 HA LEU A 73 10.466 -5.681 7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.462 -6.160 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.710 -4.630 8.302 1.00 0.00 H new ATOM 0 HG LEU A 73 12.425 -7.240 9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.593 -6.023 11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.583 -6.140 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.762 -4.613 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.126 -5.920 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.204 -4.511 10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.325 -5.974 9.869 1.00 0.00 H new ATOM 1221 N GLU A 74 12.419 -5.971 5.293 1.00 0.00 N ATOM 1222 CA GLU A 74 12.658 -5.462 3.945 1.00 0.00 C ATOM 1223 C GLU A 74 11.356 -5.355 3.151 1.00 0.00 C ATOM 1224 O GLU A 74 11.080 -4.330 2.526 1.00 0.00 O ATOM 1225 CB GLU A 74 13.642 -6.375 3.215 1.00 0.00 C ATOM 1226 CG GLU A 74 13.933 -5.947 1.787 1.00 0.00 C ATOM 1227 CD GLU A 74 14.906 -6.875 1.095 1.00 0.00 C ATOM 1228 OE1 GLU A 74 14.473 -7.930 0.593 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.110 -6.548 1.045 1.00 0.00 O ATOM 0 H GLU A 74 13.023 -6.749 5.559 1.00 0.00 H new ATOM 0 HA GLU A 74 13.082 -4.461 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.578 -6.405 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.244 -7.390 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.001 -5.916 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.339 -4.935 1.789 1.00 0.00 H new ATOM 1236 N ILE A 75 10.553 -6.409 3.200 1.00 0.00 N ATOM 1237 CA ILE A 75 9.273 -6.423 2.510 1.00 0.00 C ATOM 1238 C ILE A 75 8.337 -5.366 3.091 1.00 0.00 C ATOM 1239 O ILE A 75 7.674 -4.644 2.349 1.00 0.00 O ATOM 1240 CB ILE A 75 8.608 -7.819 2.581 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.480 -8.856 1.866 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.207 -7.790 1.981 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.733 -8.541 0.406 1.00 0.00 C ATOM 0 H ILE A 75 10.767 -7.265 3.711 1.00 0.00 H new ATOM 0 HA ILE A 75 9.462 -6.190 1.462 1.00 0.00 H new ATOM 0 HB ILE A 75 8.516 -8.101 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.437 -8.931 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.001 -9.832 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.764 -8.784 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.589 -7.081 2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.265 -7.484 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.357 -9.320 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.783 -8.496 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.241 -7.580 0.324 1.00 0.00 H new ATOM 1255 N ALA A 76 8.320 -5.254 4.416 1.00 0.00 N ATOM 1256 CA ALA A 76 7.481 -4.274 5.097 1.00 0.00 C ATOM 1257 C ALA A 76 7.830 -2.855 4.659 1.00 0.00 C ATOM 1258 O ALA A 76 6.941 -2.047 4.382 1.00 0.00 O ATOM 1259 CB ALA A 76 7.621 -4.408 6.607 1.00 0.00 C ATOM 0 H ALA A 76 8.881 -5.833 5.041 1.00 0.00 H new ATOM 0 HA ALA A 76 6.445 -4.471 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.988 -3.669 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.316 -5.408 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.660 -4.243 6.892 1.00 0.00 H new ATOM 1265 N MET A 77 9.127 -2.557 4.595 1.00 0.00 N ATOM 1266 CA MET A 77 9.583 -1.236 4.157 1.00 0.00 C ATOM 1267 C MET A 77 9.100 -0.964 2.736 1.00 0.00 C ATOM 1268 O MET A 77 8.593 0.116 2.432 1.00 0.00 O ATOM 1269 CB MET A 77 11.116 -1.106 4.185 1.00 0.00 C ATOM 1270 CG MET A 77 11.828 -1.936 5.244 1.00 0.00 C ATOM 1271 SD MET A 77 11.106 -1.801 6.894 1.00 0.00 S ATOM 1272 CE MET A 77 11.253 -0.052 7.195 1.00 0.00 C ATOM 0 H MET A 77 9.876 -3.205 4.838 1.00 0.00 H new ATOM 0 HA MET A 77 9.165 -0.510 4.855 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.504 -1.388 3.206 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.371 -0.057 4.339 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.817 -2.982 4.939 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.873 -1.628 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.964 0.166 8.223 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.285 0.259 7.035 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.600 0.491 6.512 1.00 0.00 H new ATOM 1282 N ARG A 78 9.251 -1.966 1.875 1.00 0.00 N ATOM 1283 CA ARG A 78 8.834 -1.858 0.482 1.00 0.00 C ATOM 1284 C ARG A 78 7.324 -1.669 0.374 1.00 0.00 C ATOM 1285 O ARG A 78 6.852 -0.851 -0.414 1.00 0.00 O ATOM 1286 CB ARG A 78 9.263 -3.095 -0.313 1.00 0.00 C ATOM 1287 CG ARG A 78 10.769 -3.242 -0.454 1.00 0.00 C ATOM 1288 CD ARG A 78 11.127 -4.469 -1.275 1.00 0.00 C ATOM 1289 NE ARG A 78 12.571 -4.670 -1.364 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.141 -5.708 -1.972 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.391 -6.623 -2.576 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.461 -5.823 -1.981 1.00 0.00 N ATOM 0 H ARG A 78 9.662 -2.867 2.120 1.00 0.00 H new ATOM 0 HA ARG A 78 9.324 -0.981 0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.865 -3.985 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.817 -3.049 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.181 -2.351 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.224 -3.317 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.666 -5.350 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.713 -4.366 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 78 13.179 -3.973 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.375 -6.531 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.831 -7.417 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.038 -5.117 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.901 -6.617 -2.446 1.00 0.00 H new ATOM 1306 N VAL A 79 6.567 -2.422 1.169 1.00 0.00 N ATOM 1307 CA VAL A 79 5.114 -2.305 1.166 1.00 0.00 C ATOM 1308 C VAL A 79 4.690 -0.925 1.667 1.00 0.00 C ATOM 1309 O VAL A 79 3.744 -0.333 1.144 1.00 0.00 O ATOM 1310 CB VAL A 79 4.441 -3.414 2.009 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.941 -3.180 2.124 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.714 -4.784 1.401 1.00 0.00 C ATOM 0 H VAL A 79 6.935 -3.116 1.820 1.00 0.00 H new ATOM 0 HA VAL A 79 4.779 -2.430 0.136 1.00 0.00 H new ATOM 0 HB VAL A 79 4.869 -3.381 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.494 -3.974 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.758 -2.218 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.495 -3.180 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.234 -5.553 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.315 -4.818 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.789 -4.962 1.374 1.00 0.00 H new ATOM 1322 N LYS A 80 5.409 -0.404 2.658 1.00 0.00 N ATOM 1323 CA LYS A 80 5.166 0.953 3.133 1.00 0.00 C ATOM 1324 C LYS A 80 5.385 1.943 1.995 1.00 0.00 C ATOM 1325 O LYS A 80 4.626 2.898 1.834 1.00 0.00 O ATOM 1326 CB LYS A 80 6.089 1.316 4.302 1.00 0.00 C ATOM 1327 CG LYS A 80 5.857 2.732 4.819 1.00 0.00 C ATOM 1328 CD LYS A 80 6.986 3.219 5.715 1.00 0.00 C ATOM 1329 CE LYS A 80 7.069 2.435 7.013 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.067 3.025 7.945 1.00 0.00 N ATOM 0 H LYS A 80 6.158 -0.897 3.144 1.00 0.00 H new ATOM 0 HA LYS A 80 4.135 1.003 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.934 0.607 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.127 1.215 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.751 3.411 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.919 2.764 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.933 3.135 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.839 4.275 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.090 2.417 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.338 1.401 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.098 2.465 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.006 3.019 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.796 4.004 8.169 1.00 0.00 H new ATOM 1344 N GLN A 81 6.424 1.702 1.203 1.00 0.00 N ATOM 1345 CA GLN A 81 6.745 2.563 0.071 1.00 0.00 C ATOM 1346 C GLN A 81 5.618 2.547 -0.958 1.00 0.00 C ATOM 1347 O GLN A 81 5.228 3.598 -1.475 1.00 0.00 O ATOM 1348 CB GLN A 81 8.061 2.130 -0.580 1.00 0.00 C ATOM 1349 CG GLN A 81 8.559 3.096 -1.643 1.00 0.00 C ATOM 1350 CD GLN A 81 8.819 4.484 -1.087 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.920 4.786 -0.629 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.807 5.337 -1.126 1.00 0.00 N ATOM 0 H GLN A 81 7.060 0.914 1.325 1.00 0.00 H new ATOM 0 HA GLN A 81 6.859 3.581 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.823 2.028 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.928 1.145 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.477 2.706 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.823 3.161 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.910 5.046 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.925 6.285 -0.768 1.00 0.00 H new ATOM 1361 N TYR A 82 5.106 1.354 -1.257 1.00 0.00 N ATOM 1362 CA TYR A 82 3.953 1.219 -2.143 1.00 0.00 C ATOM 1363 C TYR A 82 2.769 1.992 -1.575 1.00 0.00 C ATOM 1364 O TYR A 82 2.144 2.796 -2.269 1.00 0.00 O ATOM 1365 CB TYR A 82 3.543 -0.249 -2.314 1.00 0.00 C ATOM 1366 CG TYR A 82 4.646 -1.182 -2.766 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.568 -0.806 -3.736 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.755 -2.454 -2.218 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.567 -1.675 -4.144 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.745 -3.325 -2.621 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.650 -2.932 -3.581 1.00 0.00 C ATOM 1372 OH TYR A 82 7.631 -3.809 -3.988 1.00 0.00 O ATOM 0 H TYR A 82 5.470 0.471 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 82 4.239 1.620 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.150 -0.612 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.729 -0.299 -3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.505 0.177 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.050 -2.767 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.277 -1.370 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.810 -4.311 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 82 8.093 -4.170 -3.203 1.00 0.00 H new ATOM 1382 N ALA A 83 2.480 1.748 -0.299 1.00 0.00 N ATOM 1383 CA ALA A 83 1.380 2.406 0.391 1.00 0.00 C ATOM 1384 C ALA A 83 1.536 3.917 0.353 1.00 0.00 C ATOM 1385 O ALA A 83 0.570 4.638 0.136 1.00 0.00 O ATOM 1386 CB ALA A 83 1.299 1.927 1.830 1.00 0.00 C ATOM 0 H ALA A 83 3.001 1.091 0.281 1.00 0.00 H new ATOM 0 HA ALA A 83 0.455 2.145 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.472 2.427 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.135 0.849 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.231 2.160 2.344 1.00 0.00 H new ATOM 1392 N THR A 84 2.761 4.382 0.556 1.00 0.00 N ATOM 1393 CA THR A 84 3.070 5.805 0.519 1.00 0.00 C ATOM 1394 C THR A 84 2.634 6.428 -0.807 1.00 0.00 C ATOM 1395 O THR A 84 2.079 7.529 -0.838 1.00 0.00 O ATOM 1396 CB THR A 84 4.579 6.039 0.735 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.975 5.525 2.012 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.929 7.514 0.656 1.00 0.00 C ATOM 0 H THR A 84 3.566 3.786 0.750 1.00 0.00 H new ATOM 0 HA THR A 84 2.517 6.285 1.326 1.00 0.00 H new ATOM 0 HB THR A 84 5.114 5.516 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.023 4.547 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.000 7.643 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.657 7.900 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.382 8.059 1.425 1.00 0.00 H new ATOM 1406 N ALA A 85 2.868 5.711 -1.895 1.00 0.00 N ATOM 1407 CA ALA A 85 2.480 6.184 -3.212 1.00 0.00 C ATOM 1408 C ALA A 85 0.959 6.225 -3.338 1.00 0.00 C ATOM 1409 O ALA A 85 0.396 7.160 -3.915 1.00 0.00 O ATOM 1410 CB ALA A 85 3.088 5.299 -4.286 1.00 0.00 C ATOM 0 H ALA A 85 3.325 4.799 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 85 2.858 7.197 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.790 5.663 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.175 5.322 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.736 4.276 -4.156 1.00 0.00 H new ATOM 1416 N ILE A 86 0.303 5.218 -2.781 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.151 5.143 -2.801 1.00 0.00 C ATOM 1418 C ILE A 86 -1.757 6.231 -1.914 1.00 0.00 C ATOM 1419 O ILE A 86 -2.755 6.850 -2.271 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.646 3.757 -2.335 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.006 2.662 -3.193 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.168 3.678 -2.407 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.337 1.256 -2.742 1.00 0.00 C ATOM 0 H ILE A 86 0.757 4.437 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.475 5.298 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.350 3.607 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.331 2.787 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.076 2.791 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.497 2.694 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.603 4.443 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.493 3.841 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.847 0.538 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.987 1.110 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.416 1.106 -2.781 1.00 0.00 H new ATOM 1435 N MET A 87 -1.131 6.471 -0.765 1.00 0.00 N ATOM 1436 CA MET A 87 -1.575 7.522 0.149 1.00 0.00 C ATOM 1437 C MET A 87 -1.452 8.887 -0.515 1.00 0.00 C ATOM 1438 O MET A 87 -2.283 9.764 -0.305 1.00 0.00 O ATOM 1439 CB MET A 87 -0.763 7.502 1.447 1.00 0.00 C ATOM 1440 CG MET A 87 -0.918 6.217 2.241 1.00 0.00 C ATOM 1441 SD MET A 87 0.103 6.192 3.727 1.00 0.00 S ATOM 1442 CE MET A 87 -0.133 4.496 4.252 1.00 0.00 C ATOM 0 H MET A 87 -0.314 5.952 -0.444 1.00 0.00 H new ATOM 0 HA MET A 87 -2.621 7.334 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.291 7.647 1.209 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.068 8.343 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.964 6.091 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.653 5.369 1.609 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.221 4.380 5.276 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.192 4.244 4.203 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.429 3.831 3.596 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.416 9.046 -1.330 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.212 10.271 -2.093 1.00 0.00 C ATOM 1454 C ARG A 88 -1.391 10.495 -3.038 1.00 0.00 C ATOM 1455 O ARG A 88 -1.880 11.615 -3.207 1.00 0.00 O ATOM 1456 CB ARG A 88 1.091 10.171 -2.886 1.00 0.00 C ATOM 1457 CG ARG A 88 1.559 11.481 -3.490 1.00 0.00 C ATOM 1458 CD ARG A 88 2.845 11.279 -4.271 1.00 0.00 C ATOM 1459 NE ARG A 88 3.493 12.543 -4.610 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.809 12.679 -4.769 1.00 0.00 C ATOM 1461 NH1 ARG A 88 5.604 11.623 -4.654 1.00 0.00 N ATOM 1462 NH2 ARG A 88 5.327 13.867 -5.055 1.00 0.00 N ATOM 0 H ARG A 88 0.301 8.336 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.146 11.117 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.873 9.788 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.960 9.442 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.787 11.881 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.718 12.216 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.531 10.668 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.629 10.727 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 88 2.905 13.368 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.208 10.707 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.611 11.727 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.717 14.679 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.335 13.968 -5.176 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.849 9.407 -3.642 1.00 0.00 N ATOM 1477 CA TYR A 89 -3.012 9.430 -4.516 1.00 0.00 C ATOM 1478 C TYR A 89 -4.277 9.688 -3.691 1.00 0.00 C ATOM 1479 O TYR A 89 -5.196 10.374 -4.134 1.00 0.00 O ATOM 1480 CB TYR A 89 -3.102 8.092 -5.265 1.00 0.00 C ATOM 1481 CG TYR A 89 -4.150 8.032 -6.356 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -4.038 8.811 -7.503 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.239 7.176 -6.251 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.983 8.739 -8.507 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.188 7.103 -7.253 1.00 0.00 C ATOM 1486 CZ TYR A 89 -6.055 7.885 -8.376 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.996 7.811 -9.379 1.00 0.00 O ATOM 0 H TYR A 89 -1.425 8.485 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.917 10.234 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.129 7.875 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.308 7.303 -4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.199 9.482 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.346 6.558 -5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.882 9.350 -9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.031 6.435 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.687 7.161 -9.132 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.290 9.158 -2.472 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.409 9.333 -1.553 1.00 0.00 C ATOM 1499 C ALA A 90 -5.525 10.782 -1.082 1.00 0.00 C ATOM 1500 O ALA A 90 -6.629 11.298 -0.915 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.256 8.402 -0.360 1.00 0.00 C ATOM 0 H ALA A 90 -3.527 8.596 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.325 9.083 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.097 8.541 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.235 7.368 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.326 8.629 0.162 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.382 11.427 -0.855 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.356 12.838 -0.477 1.00 0.00 C ATOM 1509 C VAL A 91 -4.925 13.695 -1.604 1.00 0.00 C ATOM 1510 O VAL A 91 -5.668 14.648 -1.362 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.922 13.315 -0.137 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.896 14.810 0.145 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.373 12.552 1.057 1.00 0.00 C ATOM 0 H VAL A 91 -3.461 10.994 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.971 12.949 0.416 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.291 13.116 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.877 15.118 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.245 15.352 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.547 15.032 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.365 12.902 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.015 12.719 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.345 11.487 0.827 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.587 13.333 -2.838 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.100 14.027 -4.013 1.00 0.00 C ATOM 1525 C GLN A 92 -6.610 13.846 -4.137 1.00 0.00 C ATOM 1526 O GLN A 92 -7.315 14.747 -4.590 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.402 13.520 -5.273 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.943 13.928 -5.361 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.226 13.274 -6.523 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.215 13.798 -7.637 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.614 12.130 -6.268 1.00 0.00 N ATOM 0 H GLN A 92 -3.957 12.559 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.893 15.091 -3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.470 12.433 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.930 13.897 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.878 15.011 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.439 13.663 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.649 11.731 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.107 11.646 -7.009 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.104 12.684 -3.722 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.539 12.419 -3.740 1.00 0.00 C ATOM 1542 C GLN A 93 -9.206 12.948 -2.471 1.00 0.00 C ATOM 1543 O GLN A 93 -10.415 12.805 -2.290 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.814 10.923 -3.895 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.332 10.355 -5.218 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.847 8.953 -5.469 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.078 8.186 -4.539 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -9.049 8.616 -6.734 1.00 0.00 N ATOM 0 H GLN A 93 -6.535 11.914 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.964 12.940 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.330 10.386 -3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.886 10.746 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.655 11.008 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.242 10.346 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.844 9.283 -7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.409 7.690 -6.964 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.395 13.547 -1.599 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.865 14.179 -0.361 1.00 0.00 C ATOM 1559 C LYS A 94 -9.465 13.156 0.602 1.00 0.00 C ATOM 1560 O LYS A 94 -10.249 13.504 1.487 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.898 15.265 -0.667 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.916 16.377 0.367 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.974 17.421 0.063 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.857 18.607 1.005 1.00 0.00 C ATOM 1565 NZ LYS A 94 -11.031 18.215 2.429 1.00 0.00 N ATOM 0 H LYS A 94 -7.385 13.609 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.997 14.632 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.688 15.692 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.888 14.812 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.100 15.951 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.936 16.854 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.870 17.760 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.965 16.976 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.882 19.076 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.607 19.353 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.062 19.068 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.920 17.686 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.233 17.616 2.724 1.00 0.00 H new ATOM 1579 N MET A 95 -9.084 11.899 0.449 1.00 0.00 N ATOM 1580 CA MET A 95 -9.615 10.849 1.305 1.00 0.00 C ATOM 1581 C MET A 95 -8.987 10.932 2.687 1.00 0.00 C ATOM 1582 O MET A 95 -9.672 10.829 3.704 1.00 0.00 O ATOM 1583 CB MET A 95 -9.365 9.467 0.704 1.00 0.00 C ATOM 1584 CG MET A 95 -9.902 9.303 -0.704 1.00 0.00 C ATOM 1585 SD MET A 95 -10.019 7.573 -1.193 1.00 0.00 S ATOM 1586 CE MET A 95 -8.380 6.979 -0.782 1.00 0.00 C ATOM 0 H MET A 95 -8.415 11.581 -0.253 1.00 0.00 H new ATOM 0 HA MET A 95 -10.692 10.996 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.292 9.273 0.698 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.822 8.714 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.887 9.765 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.254 9.833 -1.402 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.356 5.892 -0.861 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.654 7.409 -1.472 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.131 7.274 0.237 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.681 11.132 2.717 1.00 0.00 N ATOM 1597 CA ILE A 96 -6.962 11.248 3.971 1.00 0.00 C ATOM 1598 C ILE A 96 -6.380 12.643 4.123 1.00 0.00 C ATOM 1599 O ILE A 96 -6.199 13.360 3.136 1.00 0.00 O ATOM 1600 CB ILE A 96 -5.826 10.207 4.085 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.844 10.346 2.916 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.401 8.798 4.135 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.654 9.414 3.005 1.00 0.00 C ATOM 0 H ILE A 96 -7.097 11.217 1.885 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.680 11.058 4.768 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.282 10.392 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.374 10.155 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.486 11.375 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.588 8.076 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.057 8.703 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.970 8.605 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.004 9.570 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.099 9.619 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.001 8.381 3.015 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.113 13.021 5.364 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.470 14.294 5.675 1.00 0.00 C ATOM 1617 C ARG A 97 -4.136 14.410 4.947 1.00 0.00 C ATOM 1618 O ARG A 97 -3.917 15.326 4.153 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.244 14.396 7.184 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.522 14.545 7.992 1.00 0.00 C ATOM 1621 CD ARG A 97 -6.437 13.800 9.314 1.00 0.00 C ATOM 1622 NE ARG A 97 -6.584 12.354 9.135 1.00 0.00 N ATOM 1623 CZ ARG A 97 -6.211 11.443 10.035 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -5.637 11.814 11.172 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -6.409 10.152 9.800 1.00 0.00 N ATOM 0 H ARG A 97 -6.335 12.457 6.184 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.118 15.106 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.714 13.506 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.596 15.249 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.713 15.601 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.365 14.167 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.479 14.012 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.214 14.164 9.987 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.999 12.022 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.478 12.803 11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.355 11.110 11.854 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.848 9.854 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.122 9.458 10.491 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.261 13.464 5.231 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.947 13.393 4.620 1.00 0.00 C ATOM 1641 C PHE A 98 -1.414 11.985 4.842 1.00 0.00 C ATOM 1642 O PHE A 98 -2.111 11.165 5.439 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.015 14.447 5.240 1.00 0.00 C ATOM 1644 CG PHE A 98 0.306 14.612 4.537 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.367 15.137 3.256 1.00 0.00 C ATOM 1646 CD2 PHE A 98 1.488 14.245 5.164 1.00 0.00 C ATOM 1647 CE1 PHE A 98 1.580 15.293 2.613 1.00 0.00 C ATOM 1648 CE2 PHE A 98 2.703 14.398 4.525 1.00 0.00 C ATOM 1649 CZ PHE A 98 2.749 14.923 3.248 1.00 0.00 C ATOM 0 H PHE A 98 -3.444 12.715 5.899 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.003 13.603 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.530 15.408 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.827 14.179 6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.544 15.428 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.458 13.835 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.614 15.704 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.616 14.107 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.698 15.044 2.747 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.219 11.695 4.354 1.00 0.00 N ATOM 1660 CA ASN A 99 0.402 10.394 4.580 1.00 0.00 C ATOM 1661 C ASN A 99 0.795 10.249 6.046 1.00 0.00 C ATOM 1662 O ASN A 99 1.769 10.860 6.487 1.00 0.00 O ATOM 1663 CB ASN A 99 1.651 10.214 3.708 1.00 0.00 C ATOM 1664 CG ASN A 99 1.358 10.193 2.220 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.433 10.840 1.739 1.00 0.00 O ATOM 1666 ND2 ASN A 99 2.156 9.442 1.479 1.00 0.00 N ATOM 0 H ASN A 99 0.343 12.341 3.799 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.326 9.629 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.351 11.022 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.146 9.283 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.013 9.386 0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.915 8.919 1.916 1.00 0.00 H new ATOM 1673 N PRO A 100 0.065 9.420 6.817 1.00 0.00 N ATOM 1674 CA PRO A 100 0.328 9.242 8.251 1.00 0.00 C ATOM 1675 C PRO A 100 1.725 8.696 8.493 1.00 0.00 C ATOM 1676 O PRO A 100 2.339 8.938 9.534 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.724 8.221 8.697 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.778 8.269 7.643 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.059 8.584 6.363 1.00 0.00 C ATOM 0 HA PRO A 100 0.272 10.183 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.295 7.223 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.132 8.476 9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.304 7.317 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.524 9.030 7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.714 7.681 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.700 9.115 5.659 1.00 0.00 H new ATOM 1687 N ALA A 101 2.228 7.975 7.498 1.00 0.00 N ATOM 1688 CA ALA A 101 3.564 7.412 7.549 1.00 0.00 C ATOM 1689 C ALA A 101 4.620 8.520 7.599 1.00 0.00 C ATOM 1690 O ALA A 101 5.742 8.301 8.054 1.00 0.00 O ATOM 1691 CB ALA A 101 3.788 6.501 6.350 1.00 0.00 C ATOM 0 H ALA A 101 1.720 7.767 6.638 1.00 0.00 H new ATOM 0 HA ALA A 101 3.661 6.821 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.793 6.082 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.057 5.693 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.675 7.075 5.431 1.00 0.00 H new