USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 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 -60:sc= 0.209 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.204 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 171:sc= 0.682 (180deg=-0.389) USER MOD Set 2.2: A 26 THR OG1 : rot -140:sc= 0.954 USER MOD Set 3.1: A 23 THR OG1 : rot 69:sc= 2.18 USER MOD Set 3.2: A 89 TYR OH : rot 52:sc= 1.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 23:sc= 1.12 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.526 F(o=-3.4!,f=-0.53) USER MOD Single : A 34 SER OG : rot 12:sc= 0.253 USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 41 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.067 K(o=-0.067,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ 134:sc= 1.61 (180deg=1.13) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 1.18 (180deg=1.08) 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= -2.56! (180deg=-2.67!) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= 1 (180deg=-0.283) USER MOD Single : A 81 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 87 MET CE :methyl -160:sc= -3.34! (180deg=-3.61!) USER MOD Single : A 92 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.031) USER MOD Single : A 93 GLN : amide:sc= -0.997 K(o=-1,f=-5.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 169:sc= -3.87! (180deg=-4.69!) USER MOD Single : A 99 ASN : amide:sc= -1.27 K(o=-1.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -13.678 4.604 -2.464 1.00 0.00 N ATOM 173 CA ARG A 11 -12.559 5.094 -1.647 1.00 0.00 C ATOM 174 C ARG A 11 -11.960 3.996 -0.765 1.00 0.00 C ATOM 175 O ARG A 11 -11.045 4.255 0.015 1.00 0.00 O ATOM 176 CB ARG A 11 -12.959 6.299 -0.792 1.00 0.00 C ATOM 177 CG ARG A 11 -13.278 7.549 -1.599 1.00 0.00 C ATOM 178 CD ARG A 11 -13.335 8.779 -0.706 1.00 0.00 C ATOM 179 NE ARG A 11 -14.225 8.580 0.430 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.087 9.177 1.608 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.133 10.091 1.794 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.921 8.868 2.592 1.00 0.00 N ATOM 0 HA ARG A 11 -11.791 5.415 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.830 6.034 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.150 6.524 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.521 7.691 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.233 7.422 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.333 9.014 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.674 9.636 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.008 7.938 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.504 10.335 1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.032 10.546 2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.657 8.179 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.826 9.319 3.502 1.00 0.00 H new ATOM 196 N ALA A 12 -12.471 2.776 -0.898 1.00 0.00 N ATOM 197 CA ALA A 12 -11.870 1.624 -0.249 1.00 0.00 C ATOM 198 C ALA A 12 -10.452 1.443 -0.758 1.00 0.00 C ATOM 199 O ALA A 12 -10.204 1.576 -1.959 1.00 0.00 O ATOM 200 CB ALA A 12 -12.698 0.375 -0.514 1.00 0.00 C ATOM 0 H ALA A 12 -13.301 2.563 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.844 1.789 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.235 -0.480 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.706 0.517 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.747 0.192 -1.587 1.00 0.00 H new ATOM 206 N PHE A 13 -9.532 1.154 0.152 1.00 0.00 N ATOM 207 CA PHE A 13 -8.121 1.015 -0.193 1.00 0.00 C ATOM 208 C PHE A 13 -7.938 0.030 -1.347 1.00 0.00 C ATOM 209 O PHE A 13 -7.080 0.218 -2.205 1.00 0.00 O ATOM 210 CB PHE A 13 -7.324 0.547 1.027 1.00 0.00 C ATOM 211 CG PHE A 13 -5.839 0.747 0.893 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.036 -0.230 0.324 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.247 1.916 1.340 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.672 -0.041 0.206 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.885 2.110 1.224 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.096 1.132 0.656 1.00 0.00 C ATOM 0 H PHE A 13 -9.738 1.010 1.141 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.749 1.989 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.676 1.084 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.525 -0.511 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.481 -1.148 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.859 2.686 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.056 -0.810 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.438 3.027 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.031 1.282 0.563 1.00 0.00 H new ATOM 226 N LYS A 14 -8.769 -1.008 -1.368 1.00 0.00 N ATOM 227 CA LYS A 14 -8.720 -2.014 -2.423 1.00 0.00 C ATOM 228 C LYS A 14 -9.042 -1.377 -3.777 1.00 0.00 C ATOM 229 O LYS A 14 -8.329 -1.575 -4.760 1.00 0.00 O ATOM 230 CB LYS A 14 -9.730 -3.130 -2.133 1.00 0.00 C ATOM 231 CG LYS A 14 -9.668 -3.668 -0.712 1.00 0.00 C ATOM 232 CD LYS A 14 -10.853 -4.575 -0.404 1.00 0.00 C ATOM 233 CE LYS A 14 -10.802 -5.887 -1.177 1.00 0.00 C ATOM 234 NZ LYS A 14 -9.799 -6.833 -0.617 1.00 0.00 N ATOM 0 H LYS A 14 -9.487 -1.174 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.715 -2.435 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.735 -2.755 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.558 -3.951 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.739 -4.221 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.653 -2.836 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.875 -4.788 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.779 -4.052 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.787 -6.354 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.562 -5.682 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.800 -7.711 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.854 -6.400 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.041 -7.051 0.371 1.00 0.00 H new ATOM 248 N THR A 15 -10.113 -0.596 -3.805 1.00 0.00 N ATOM 249 CA THR A 15 -10.590 0.022 -5.033 1.00 0.00 C ATOM 250 C THR A 15 -9.666 1.151 -5.483 1.00 0.00 C ATOM 251 O THR A 15 -9.379 1.295 -6.672 1.00 0.00 O ATOM 252 CB THR A 15 -12.012 0.579 -4.840 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.838 -0.399 -4.192 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.635 0.957 -6.176 1.00 0.00 C ATOM 0 H THR A 15 -10.673 -0.374 -2.982 1.00 0.00 H new ATOM 0 HA THR A 15 -10.601 -0.750 -5.803 1.00 0.00 H new ATOM 0 HB THR A 15 -11.943 1.473 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.740 -0.037 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.639 1.348 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.024 1.719 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.689 0.075 -6.815 1.00 0.00 H new ATOM 262 N VAL A 16 -9.198 1.944 -4.530 1.00 0.00 N ATOM 263 CA VAL A 16 -8.341 3.078 -4.843 1.00 0.00 C ATOM 264 C VAL A 16 -6.986 2.612 -5.353 1.00 0.00 C ATOM 265 O VAL A 16 -6.415 3.214 -6.263 1.00 0.00 O ATOM 266 CB VAL A 16 -8.159 4.005 -3.626 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.193 5.139 -3.945 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.509 4.553 -3.203 1.00 0.00 C ATOM 0 H VAL A 16 -9.396 1.824 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.835 3.647 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.732 3.430 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.082 5.779 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.222 4.724 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.583 5.726 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.382 5.209 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.947 5.116 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.169 3.728 -2.936 1.00 0.00 H new ATOM 278 N ALA A 17 -6.481 1.532 -4.783 1.00 0.00 N ATOM 279 CA ALA A 17 -5.241 0.953 -5.259 1.00 0.00 C ATOM 280 C ALA A 17 -5.413 0.416 -6.677 1.00 0.00 C ATOM 281 O ALA A 17 -4.481 0.451 -7.474 1.00 0.00 O ATOM 282 CB ALA A 17 -4.763 -0.136 -4.321 1.00 0.00 C ATOM 0 H ALA A 17 -6.908 1.043 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.481 1.734 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.831 -0.557 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.597 0.285 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.517 -0.921 -4.260 1.00 0.00 H new ATOM 288 N LYS A 18 -6.617 -0.066 -6.988 1.00 0.00 N ATOM 289 CA LYS A 18 -6.942 -0.476 -8.351 1.00 0.00 C ATOM 290 C LYS A 18 -6.769 0.692 -9.316 1.00 0.00 C ATOM 291 O LYS A 18 -6.117 0.560 -10.353 1.00 0.00 O ATOM 292 CB LYS A 18 -8.376 -1.002 -8.451 1.00 0.00 C ATOM 293 CG LYS A 18 -8.562 -2.411 -7.921 1.00 0.00 C ATOM 294 CD LYS A 18 -9.984 -2.894 -8.147 1.00 0.00 C ATOM 295 CE LYS A 18 -10.133 -4.377 -7.846 1.00 0.00 C ATOM 296 NZ LYS A 18 -9.935 -4.688 -6.407 1.00 0.00 N ATOM 0 H LYS A 18 -7.378 -0.181 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.256 -1.279 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.036 -0.330 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.689 -0.975 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.862 -3.085 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.330 -2.436 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.666 -2.325 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.273 -2.702 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.125 -4.709 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.411 -4.939 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.047 -5.711 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.979 -4.397 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.640 -4.174 -5.841 1.00 0.00 H new ATOM 310 N SER A 19 -7.351 1.837 -8.972 1.00 0.00 N ATOM 311 CA SER A 19 -7.228 3.021 -9.806 1.00 0.00 C ATOM 312 C SER A 19 -5.789 3.535 -9.810 1.00 0.00 C ATOM 313 O SER A 19 -5.299 4.005 -10.830 1.00 0.00 O ATOM 314 CB SER A 19 -8.206 4.112 -9.354 1.00 0.00 C ATOM 315 OG SER A 19 -8.210 4.263 -7.944 1.00 0.00 O ATOM 0 H SER A 19 -7.908 1.967 -8.127 1.00 0.00 H new ATOM 0 HA SER A 19 -7.487 2.746 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.935 5.059 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.211 3.864 -9.696 1.00 0.00 H new ATOM 0 HG SER A 19 -7.369 3.920 -7.576 1.00 0.00 H new ATOM 321 N TRP A 20 -5.114 3.410 -8.671 1.00 0.00 N ATOM 322 CA TRP A 20 -3.708 3.790 -8.550 1.00 0.00 C ATOM 323 C TRP A 20 -2.853 2.955 -9.502 1.00 0.00 C ATOM 324 O TRP A 20 -1.961 3.475 -10.173 1.00 0.00 O ATOM 325 CB TRP A 20 -3.248 3.594 -7.100 1.00 0.00 C ATOM 326 CG TRP A 20 -1.803 3.917 -6.860 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.254 5.156 -6.697 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.725 2.980 -6.740 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.101 5.049 -6.489 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.449 3.721 -6.510 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.639 1.587 -6.807 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.693 3.116 -6.346 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.596 0.987 -6.644 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.746 1.751 -6.415 1.00 0.00 C ATOM 0 H TRP A 20 -5.522 3.045 -7.810 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.593 4.840 -8.819 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.860 4.219 -6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.429 2.559 -6.811 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.804 6.085 -6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.742 5.828 -6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.521 0.990 -6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.583 3.703 -6.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.674 -0.089 -6.694 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.696 1.252 -6.290 1.00 0.00 H new ATOM 345 N PHE A 21 -3.156 1.663 -9.560 1.00 0.00 N ATOM 346 CA PHE A 21 -2.473 0.730 -10.448 1.00 0.00 C ATOM 347 C PHE A 21 -2.668 1.132 -11.909 1.00 0.00 C ATOM 348 O PHE A 21 -1.759 1.009 -12.724 1.00 0.00 O ATOM 349 CB PHE A 21 -3.016 -0.684 -10.199 1.00 0.00 C ATOM 350 CG PHE A 21 -2.323 -1.773 -10.971 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.132 -2.313 -10.514 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.874 -2.269 -12.142 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.502 -3.325 -11.211 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.248 -3.284 -12.842 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.060 -3.812 -12.376 1.00 0.00 C ATOM 0 H PHE A 21 -3.884 1.232 -8.991 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.403 0.750 -10.240 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.936 -0.906 -9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.077 -0.700 -10.449 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.691 -1.938 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.802 -1.858 -12.512 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.427 -3.736 -10.845 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.688 -3.664 -13.752 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.569 -4.604 -12.922 1.00 0.00 H new ATOM 365 N ALA A 22 -3.861 1.623 -12.229 1.00 0.00 N ATOM 366 CA ALA A 22 -4.174 2.048 -13.588 1.00 0.00 C ATOM 367 C ALA A 22 -3.579 3.422 -13.890 1.00 0.00 C ATOM 368 O ALA A 22 -3.256 3.732 -15.038 1.00 0.00 O ATOM 369 CB ALA A 22 -5.681 2.063 -13.801 1.00 0.00 C ATOM 0 H ALA A 22 -4.627 1.736 -11.565 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.727 1.332 -14.277 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.901 2.382 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.081 1.062 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.141 2.756 -13.096 1.00 0.00 H new ATOM 375 N THR A 23 -3.452 4.247 -12.858 1.00 0.00 N ATOM 376 CA THR A 23 -2.875 5.575 -13.003 1.00 0.00 C ATOM 377 C THR A 23 -1.365 5.491 -13.197 1.00 0.00 C ATOM 378 O THR A 23 -0.803 6.117 -14.101 1.00 0.00 O ATOM 379 CB THR A 23 -3.177 6.455 -11.767 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.593 6.574 -11.574 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.571 7.844 -11.917 1.00 0.00 C ATOM 0 H THR A 23 -3.743 4.017 -11.908 1.00 0.00 H new ATOM 0 HA THR A 23 -3.330 6.030 -13.883 1.00 0.00 H new ATOM 0 HB THR A 23 -2.729 5.970 -10.900 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.958 5.710 -11.289 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.800 8.439 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.490 7.759 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.988 8.330 -12.799 1.00 0.00 H new ATOM 389 N LYS A 24 -0.716 4.696 -12.361 1.00 0.00 N ATOM 390 CA LYS A 24 0.731 4.627 -12.359 1.00 0.00 C ATOM 391 C LYS A 24 1.251 3.668 -13.417 1.00 0.00 C ATOM 392 O LYS A 24 1.022 2.463 -13.361 1.00 0.00 O ATOM 393 CB LYS A 24 1.253 4.221 -10.981 1.00 0.00 C ATOM 394 CG LYS A 24 2.765 4.079 -10.933 1.00 0.00 C ATOM 395 CD LYS A 24 3.265 3.944 -9.511 1.00 0.00 C ATOM 396 CE LYS A 24 4.779 3.864 -9.458 1.00 0.00 C ATOM 397 NZ LYS A 24 5.424 5.079 -10.025 1.00 0.00 N ATOM 0 H LYS A 24 -1.171 4.091 -11.677 1.00 0.00 H new ATOM 0 HA LYS A 24 1.101 5.624 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.941 4.964 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.796 3.275 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.068 3.206 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.228 4.947 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.924 4.796 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.836 3.050 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.099 3.733 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.115 2.985 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.446 5.052 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.266 5.108 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.012 5.927 -9.587 1.00 0.00 H new ATOM 411 N THR A 25 1.962 4.224 -14.377 1.00 0.00 N ATOM 412 CA THR A 25 2.628 3.440 -15.394 1.00 0.00 C ATOM 413 C THR A 25 4.103 3.811 -15.430 1.00 0.00 C ATOM 414 O THR A 25 4.542 4.633 -16.238 1.00 0.00 O ATOM 415 CB THR A 25 1.984 3.652 -16.780 1.00 0.00 C ATOM 416 OG1 THR A 25 1.465 4.988 -16.878 1.00 0.00 O ATOM 417 CG2 THR A 25 0.864 2.648 -17.020 1.00 0.00 C ATOM 0 H THR A 25 2.094 5.231 -14.473 1.00 0.00 H new ATOM 0 HA THR A 25 2.523 2.384 -15.144 1.00 0.00 H new ATOM 0 HB THR A 25 2.751 3.501 -17.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.059 5.117 -17.761 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.427 2.819 -18.004 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.266 1.636 -16.973 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.096 2.770 -16.256 1.00 0.00 H new ATOM 425 N THR A 26 4.859 3.232 -14.508 1.00 0.00 N ATOM 426 CA THR A 26 6.259 3.582 -14.340 1.00 0.00 C ATOM 427 C THR A 26 7.136 2.337 -14.352 1.00 0.00 C ATOM 428 O THR A 26 8.044 2.207 -15.173 1.00 0.00 O ATOM 429 CB THR A 26 6.476 4.333 -13.013 1.00 0.00 C ATOM 430 OG1 THR A 26 5.457 5.329 -12.839 1.00 0.00 O ATOM 431 CG2 THR A 26 7.841 4.998 -12.985 1.00 0.00 C ATOM 0 H THR A 26 4.523 2.516 -13.864 1.00 0.00 H new ATOM 0 HA THR A 26 6.538 4.227 -15.174 1.00 0.00 H new ATOM 0 HB THR A 26 6.422 3.608 -12.201 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.854 6.141 -12.461 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.971 5.522 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.617 4.240 -13.090 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.916 5.710 -13.807 1.00 0.00 H new ATOM 439 N TRP A 27 6.850 1.432 -13.431 1.00 0.00 N ATOM 440 CA TRP A 27 7.589 0.186 -13.324 1.00 0.00 C ATOM 441 C TRP A 27 7.153 -0.780 -14.414 1.00 0.00 C ATOM 442 O TRP A 27 6.122 -0.571 -15.057 1.00 0.00 O ATOM 443 CB TRP A 27 7.356 -0.460 -11.955 1.00 0.00 C ATOM 444 CG TRP A 27 7.852 0.353 -10.796 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.947 1.167 -10.768 1.00 0.00 C ATOM 446 CD2 TRP A 27 7.287 0.395 -9.479 1.00 0.00 C ATOM 447 NE1 TRP A 27 9.086 1.728 -9.521 1.00 0.00 N ATOM 448 CE2 TRP A 27 8.082 1.265 -8.712 1.00 0.00 C ATOM 449 CE3 TRP A 27 6.183 -0.210 -8.877 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.807 1.538 -7.373 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.912 0.060 -7.549 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.721 0.927 -6.809 1.00 0.00 C ATOM 0 H TRP A 27 6.105 1.539 -12.742 1.00 0.00 H new ATOM 0 HA TRP A 27 8.650 0.409 -13.440 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.288 -0.639 -11.828 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.847 -1.433 -11.937 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.608 1.344 -11.604 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.817 2.382 -9.243 1.00 0.00 H new ATOM 0 HE3 TRP A 27 5.550 -0.879 -9.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.430 2.209 -6.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 5.061 -0.407 -7.075 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.484 1.118 -5.773 1.00 0.00 H new ATOM 463 N SER A 28 7.936 -1.830 -14.616 1.00 0.00 N ATOM 464 CA SER A 28 7.577 -2.877 -15.561 1.00 0.00 C ATOM 465 C SER A 28 6.278 -3.551 -15.130 1.00 0.00 C ATOM 466 O SER A 28 5.961 -3.601 -13.938 1.00 0.00 O ATOM 467 CB SER A 28 8.702 -3.905 -15.665 1.00 0.00 C ATOM 468 OG SER A 28 9.930 -3.277 -16.004 1.00 0.00 O ATOM 0 H SER A 28 8.824 -1.979 -14.138 1.00 0.00 H new ATOM 0 HA SER A 28 7.427 -2.428 -16.543 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.808 -4.432 -14.717 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.450 -4.651 -16.418 1.00 0.00 H new ATOM 0 HG SER A 28 10.637 -3.953 -16.064 1.00 0.00 H new ATOM 474 N GLU A 29 5.541 -4.076 -16.097 1.00 0.00 N ATOM 475 CA GLU A 29 4.215 -4.632 -15.856 1.00 0.00 C ATOM 476 C GLU A 29 4.236 -5.745 -14.812 1.00 0.00 C ATOM 477 O GLU A 29 3.347 -5.831 -13.969 1.00 0.00 O ATOM 478 CB GLU A 29 3.632 -5.153 -17.163 1.00 0.00 C ATOM 479 CG GLU A 29 3.378 -4.061 -18.184 1.00 0.00 C ATOM 480 CD GLU A 29 3.113 -4.607 -19.568 1.00 0.00 C ATOM 481 OE1 GLU A 29 1.981 -5.059 -19.824 1.00 0.00 O ATOM 482 OE2 GLU A 29 4.043 -4.585 -20.405 1.00 0.00 O ATOM 0 H GLU A 29 5.843 -4.129 -17.070 1.00 0.00 H new ATOM 0 HA GLU A 29 3.588 -3.832 -15.462 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.314 -5.888 -17.590 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.696 -5.671 -16.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.525 -3.462 -17.865 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.240 -3.395 -18.220 1.00 0.00 H new ATOM 489 N ASP A 30 5.254 -6.590 -14.860 1.00 0.00 N ATOM 490 CA ASP A 30 5.348 -7.709 -13.929 1.00 0.00 C ATOM 491 C ASP A 30 5.848 -7.264 -12.562 1.00 0.00 C ATOM 492 O ASP A 30 5.566 -7.909 -11.551 1.00 0.00 O ATOM 493 CB ASP A 30 6.234 -8.812 -14.497 1.00 0.00 C ATOM 494 CG ASP A 30 5.542 -9.560 -15.616 1.00 0.00 C ATOM 495 OD1 ASP A 30 4.744 -10.471 -15.316 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.779 -9.224 -16.796 1.00 0.00 O ATOM 0 H ASP A 30 6.023 -6.525 -15.527 1.00 0.00 H new ATOM 0 HA ASP A 30 4.343 -8.109 -13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.163 -8.379 -14.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.502 -9.509 -13.703 1.00 0.00 H new ATOM 501 N TYR A 31 6.572 -6.156 -12.517 1.00 0.00 N ATOM 502 CA TYR A 31 6.974 -5.590 -11.241 1.00 0.00 C ATOM 503 C TYR A 31 5.759 -4.935 -10.595 1.00 0.00 C ATOM 504 O TYR A 31 5.600 -4.952 -9.379 1.00 0.00 O ATOM 505 CB TYR A 31 8.120 -4.586 -11.410 1.00 0.00 C ATOM 506 CG TYR A 31 8.718 -4.116 -10.094 1.00 0.00 C ATOM 507 CD1 TYR A 31 8.876 -4.992 -9.024 1.00 0.00 C ATOM 508 CD2 TYR A 31 9.121 -2.799 -9.918 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.418 -4.566 -7.824 1.00 0.00 C ATOM 510 CE2 TYR A 31 9.663 -2.367 -8.722 1.00 0.00 C ATOM 511 CZ TYR A 31 9.810 -3.253 -7.680 1.00 0.00 C ATOM 512 OH TYR A 31 10.348 -2.819 -6.488 1.00 0.00 O ATOM 0 H TYR A 31 6.889 -5.638 -13.337 1.00 0.00 H new ATOM 0 HA TYR A 31 7.347 -6.385 -10.595 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.905 -5.042 -12.014 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.755 -3.721 -11.963 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.570 -6.022 -9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.009 -2.098 -10.732 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.533 -5.260 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.970 -1.338 -8.606 1.00 0.00 H new ATOM 0 HH TYR A 31 9.695 -2.946 -5.769 1.00 0.00 H new ATOM 522 N GLN A 32 4.891 -4.379 -11.429 1.00 0.00 N ATOM 523 CA GLN A 32 3.600 -3.891 -10.973 1.00 0.00 C ATOM 524 C GLN A 32 2.722 -5.058 -10.541 1.00 0.00 C ATOM 525 O GLN A 32 1.995 -4.965 -9.556 1.00 0.00 O ATOM 526 CB GLN A 32 2.914 -3.087 -12.079 1.00 0.00 C ATOM 527 CG GLN A 32 3.352 -1.634 -12.128 1.00 0.00 C ATOM 528 CD GLN A 32 2.742 -0.810 -11.011 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.387 -0.798 -9.858 1.00 0.00 O flip ATOM 530 NE2 GLN A 32 1.688 -0.207 -11.176 1.00 0.00 N flip ATOM 0 H GLN A 32 5.060 -4.255 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 32 3.756 -3.235 -10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.123 -3.555 -13.041 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.835 -3.129 -11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.439 -1.582 -12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.070 -1.204 -13.089 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.218 -0.239 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.281 0.327 -10.409 1.00 0.00 H new ATOM 539 N ARG A 33 2.812 -6.162 -11.277 1.00 0.00 N ATOM 540 CA ARG A 33 2.055 -7.368 -10.958 1.00 0.00 C ATOM 541 C ARG A 33 2.416 -7.874 -9.564 1.00 0.00 C ATOM 542 O ARG A 33 1.537 -8.182 -8.756 1.00 0.00 O ATOM 543 CB ARG A 33 2.341 -8.471 -11.981 1.00 0.00 C ATOM 544 CG ARG A 33 1.408 -9.667 -11.853 1.00 0.00 C ATOM 545 CD ARG A 33 1.942 -10.898 -12.575 1.00 0.00 C ATOM 546 NE ARG A 33 2.321 -10.626 -13.961 1.00 0.00 N ATOM 547 CZ ARG A 33 1.491 -10.707 -15.001 1.00 0.00 C ATOM 548 NH1 ARG A 33 0.199 -10.970 -14.823 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.964 -10.515 -16.223 1.00 0.00 N ATOM 0 H ARG A 33 3.405 -6.246 -12.103 1.00 0.00 H new ATOM 0 HA ARG A 33 0.995 -7.115 -10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.254 -8.057 -12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.371 -8.808 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.264 -9.901 -10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.430 -9.407 -12.258 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.808 -11.282 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.183 -11.680 -12.558 1.00 0.00 H new ATOM 0 HE ARG A 33 3.287 -10.356 -14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.168 -11.112 -13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.425 -11.029 -15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.953 -10.308 -16.360 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.339 -10.574 -17.027 1.00 0.00 H new ATOM 563 N SER A 34 3.713 -7.960 -9.291 1.00 0.00 N ATOM 564 CA SER A 34 4.190 -8.448 -8.007 1.00 0.00 C ATOM 565 C SER A 34 3.827 -7.478 -6.882 1.00 0.00 C ATOM 566 O SER A 34 3.393 -7.905 -5.813 1.00 0.00 O ATOM 567 CB SER A 34 5.700 -8.691 -8.059 1.00 0.00 C ATOM 568 OG SER A 34 6.373 -7.595 -8.651 1.00 0.00 O ATOM 0 H SER A 34 4.452 -7.697 -9.944 1.00 0.00 H new ATOM 0 HA SER A 34 3.697 -9.397 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.080 -8.853 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.906 -9.598 -8.627 1.00 0.00 H new ATOM 0 HG SER A 34 5.757 -6.836 -8.729 1.00 0.00 H new ATOM 574 N VAL A 35 3.991 -6.176 -7.128 1.00 0.00 N ATOM 575 CA VAL A 35 3.586 -5.157 -6.160 1.00 0.00 C ATOM 576 C VAL A 35 2.090 -5.261 -5.870 1.00 0.00 C ATOM 577 O VAL A 35 1.677 -5.306 -4.711 1.00 0.00 O ATOM 578 CB VAL A 35 3.920 -3.723 -6.650 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.270 -2.670 -5.759 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.428 -3.507 -6.698 1.00 0.00 C ATOM 0 H VAL A 35 4.400 -5.805 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 35 4.151 -5.342 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 35 3.517 -3.617 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.522 -1.676 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.188 -2.799 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.635 -2.782 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.640 -2.495 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.847 -3.645 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.877 -4.226 -7.383 1.00 0.00 H new ATOM 590 N TRP A 36 1.293 -5.326 -6.932 1.00 0.00 N ATOM 591 CA TRP A 36 -0.159 -5.418 -6.817 1.00 0.00 C ATOM 592 C TRP A 36 -0.571 -6.630 -5.980 1.00 0.00 C ATOM 593 O TRP A 36 -1.329 -6.504 -5.017 1.00 0.00 O ATOM 594 CB TRP A 36 -0.781 -5.498 -8.217 1.00 0.00 C ATOM 595 CG TRP A 36 -2.273 -5.633 -8.215 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.000 -6.639 -8.781 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.217 -4.735 -7.626 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.341 -6.424 -8.575 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.500 -5.261 -7.869 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.103 -3.538 -6.918 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.658 -4.630 -7.426 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.253 -2.915 -6.478 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.515 -3.462 -6.732 1.00 0.00 C ATOM 0 H TRP A 36 1.634 -5.316 -7.893 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.525 -4.525 -6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.508 -4.603 -8.776 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.350 -6.348 -8.746 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.582 -7.481 -9.313 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.095 -7.031 -8.895 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.133 -3.107 -6.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.634 -5.048 -7.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.177 -1.989 -5.928 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.395 -2.950 -6.372 1.00 0.00 H new ATOM 614 N THR A 37 -0.047 -7.795 -6.339 1.00 0.00 N ATOM 615 CA THR A 37 -0.369 -9.029 -5.633 1.00 0.00 C ATOM 616 C THR A 37 0.121 -8.973 -4.184 1.00 0.00 C ATOM 617 O THR A 37 -0.547 -9.457 -3.265 1.00 0.00 O ATOM 618 CB THR A 37 0.262 -10.242 -6.346 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.005 -10.166 -7.754 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.286 -11.552 -5.797 1.00 0.00 C ATOM 0 H THR A 37 0.604 -7.912 -7.116 1.00 0.00 H new ATOM 0 HA THR A 37 -1.453 -9.139 -5.633 1.00 0.00 H new ATOM 0 HB THR A 37 1.337 -10.218 -6.168 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.646 -9.569 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.178 -12.388 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.064 -11.622 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.365 -11.586 -5.945 1.00 0.00 H new ATOM 628 N ARG A 38 1.282 -8.359 -3.989 1.00 0.00 N ATOM 629 CA ARG A 38 1.873 -8.215 -2.666 1.00 0.00 C ATOM 630 C ARG A 38 0.955 -7.393 -1.768 1.00 0.00 C ATOM 631 O ARG A 38 0.694 -7.756 -0.619 1.00 0.00 O ATOM 632 CB ARG A 38 3.234 -7.530 -2.786 1.00 0.00 C ATOM 633 CG ARG A 38 4.129 -7.696 -1.571 1.00 0.00 C ATOM 634 CD ARG A 38 5.439 -6.945 -1.748 1.00 0.00 C ATOM 635 NE ARG A 38 6.051 -7.201 -3.053 1.00 0.00 N ATOM 636 CZ ARG A 38 7.216 -7.830 -3.225 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.873 -8.321 -2.180 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.718 -7.977 -4.444 1.00 0.00 N ATOM 0 H ARG A 38 1.837 -7.949 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 38 2.004 -9.203 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.751 -7.927 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.077 -6.466 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.614 -7.330 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.332 -8.754 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.261 -5.876 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.133 -7.237 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 38 5.556 -6.878 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.488 -8.218 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.763 -8.801 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.214 -7.609 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.608 -8.458 -4.574 1.00 0.00 H new ATOM 652 N LEU A 39 0.456 -6.292 -2.315 1.00 0.00 N ATOM 653 CA LEU A 39 -0.424 -5.397 -1.578 1.00 0.00 C ATOM 654 C LEU A 39 -1.711 -6.107 -1.165 1.00 0.00 C ATOM 655 O LEU A 39 -2.106 -6.051 0.001 1.00 0.00 O ATOM 656 CB LEU A 39 -0.756 -4.164 -2.420 1.00 0.00 C ATOM 657 CG LEU A 39 0.433 -3.270 -2.782 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.023 -2.103 -3.645 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.130 -2.763 -1.526 1.00 0.00 C ATOM 0 H LEU A 39 0.648 -5.997 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 39 0.099 -5.083 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.233 -4.494 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.488 -3.564 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 39 1.147 -3.865 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.834 -1.477 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.473 -2.483 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.758 -1.512 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.972 -2.130 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.426 -2.186 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.492 -3.610 -0.944 1.00 0.00 H new ATOM 671 N GLU A 40 -2.348 -6.791 -2.116 1.00 0.00 N ATOM 672 CA GLU A 40 -3.616 -7.478 -1.855 1.00 0.00 C ATOM 673 C GLU A 40 -3.486 -8.504 -0.734 1.00 0.00 C ATOM 674 O GLU A 40 -4.407 -8.682 0.065 1.00 0.00 O ATOM 675 CB GLU A 40 -4.137 -8.185 -3.111 1.00 0.00 C ATOM 676 CG GLU A 40 -4.553 -7.254 -4.236 1.00 0.00 C ATOM 677 CD GLU A 40 -5.512 -7.925 -5.198 1.00 0.00 C ATOM 678 OE1 GLU A 40 -5.056 -8.680 -6.083 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.738 -7.722 -5.054 1.00 0.00 O ATOM 0 H GLU A 40 -2.008 -6.885 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.324 -6.707 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.362 -8.857 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.991 -8.804 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.023 -6.364 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.668 -6.921 -4.778 1.00 0.00 H new ATOM 686 N THR A 41 -2.342 -9.166 -0.677 1.00 0.00 N ATOM 687 CA THR A 41 -2.145 -10.269 0.251 1.00 0.00 C ATOM 688 C THR A 41 -1.921 -9.794 1.690 1.00 0.00 C ATOM 689 O THR A 41 -2.509 -10.333 2.626 1.00 0.00 O ATOM 690 CB THR A 41 -0.950 -11.133 -0.193 1.00 0.00 C ATOM 691 OG1 THR A 41 -1.086 -11.470 -1.582 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.860 -12.410 0.631 1.00 0.00 C ATOM 0 H THR A 41 -1.534 -8.959 -1.264 1.00 0.00 H new ATOM 0 HA THR A 41 -3.061 -10.860 0.236 1.00 0.00 H new ATOM 0 HB THR A 41 -0.038 -10.557 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.668 -10.774 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.007 -13.000 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.734 -12.156 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.774 -12.990 0.505 1.00 0.00 H new ATOM 700 N TYR A 42 -1.084 -8.782 1.867 1.00 0.00 N ATOM 701 CA TYR A 42 -0.639 -8.411 3.205 1.00 0.00 C ATOM 702 C TYR A 42 -1.268 -7.110 3.698 1.00 0.00 C ATOM 703 O TYR A 42 -1.674 -7.014 4.856 1.00 0.00 O ATOM 704 CB TYR A 42 0.886 -8.288 3.224 1.00 0.00 C ATOM 705 CG TYR A 42 1.597 -9.523 2.713 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.732 -10.653 3.510 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.123 -9.559 1.429 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.374 -11.782 3.039 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.764 -10.685 0.951 1.00 0.00 C ATOM 710 CZ TYR A 42 2.885 -11.794 1.760 1.00 0.00 C ATOM 711 OH TYR A 42 3.522 -12.918 1.289 1.00 0.00 O ATOM 0 H TYR A 42 -0.703 -8.209 1.114 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.964 -9.200 3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.181 -7.431 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.214 -8.085 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.329 -10.649 4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.029 -8.691 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.475 -12.652 3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.168 -10.696 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 42 3.822 -12.763 0.369 1.00 0.00 H new ATOM 721 N LEU A 43 -1.361 -6.122 2.821 1.00 0.00 N ATOM 722 CA LEU A 43 -1.751 -4.773 3.225 1.00 0.00 C ATOM 723 C LEU A 43 -3.266 -4.579 3.152 1.00 0.00 C ATOM 724 O LEU A 43 -3.886 -4.088 4.093 1.00 0.00 O ATOM 725 CB LEU A 43 -1.037 -3.758 2.326 1.00 0.00 C ATOM 726 CG LEU A 43 -1.192 -2.292 2.721 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.544 -2.023 4.069 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.593 -1.391 1.653 1.00 0.00 C ATOM 0 H LEU A 43 -1.172 -6.226 1.824 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.457 -4.620 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.026 -4.000 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.406 -3.881 1.308 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.256 -2.072 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.668 -0.972 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.017 -2.643 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.518 -2.261 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.711 -0.348 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.467 -1.618 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.105 -1.560 0.706 1.00 0.00 H new ATOM 740 N PHE A 44 -3.852 -4.994 2.037 1.00 0.00 N ATOM 741 CA PHE A 44 -5.280 -4.775 1.764 1.00 0.00 C ATOM 742 C PHE A 44 -6.233 -5.346 2.832 1.00 0.00 C ATOM 743 O PHE A 44 -7.145 -4.640 3.257 1.00 0.00 O ATOM 744 CB PHE A 44 -5.656 -5.360 0.402 1.00 0.00 C ATOM 745 CG PHE A 44 -5.220 -4.530 -0.772 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.147 -3.658 -0.676 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.889 -4.628 -1.979 1.00 0.00 C ATOM 748 CE1 PHE A 44 -3.754 -2.902 -1.761 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.500 -3.875 -3.065 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.430 -3.014 -2.956 1.00 0.00 C ATOM 0 H PHE A 44 -3.360 -5.491 1.294 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.408 -3.693 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.216 -6.353 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.738 -5.486 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.613 -3.569 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.727 -5.303 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.918 -2.224 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.033 -3.959 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.121 -2.427 -3.808 1.00 0.00 H new ATOM 760 N PRO A 45 -6.061 -6.612 3.281 1.00 0.00 N ATOM 761 CA PRO A 45 -7.063 -7.304 4.118 1.00 0.00 C ATOM 762 C PRO A 45 -7.421 -6.570 5.414 1.00 0.00 C ATOM 763 O PRO A 45 -8.505 -6.768 5.962 1.00 0.00 O ATOM 764 CB PRO A 45 -6.404 -8.651 4.447 1.00 0.00 C ATOM 765 CG PRO A 45 -4.955 -8.459 4.160 1.00 0.00 C ATOM 766 CD PRO A 45 -4.891 -7.471 3.035 1.00 0.00 C ATOM 0 HA PRO A 45 -8.010 -7.380 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.566 -8.924 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.823 -9.453 3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.428 -8.087 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.483 -9.401 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.962 -6.901 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.948 -7.962 2.063 1.00 0.00 H new ATOM 774 N ASP A 46 -6.527 -5.723 5.899 1.00 0.00 N ATOM 775 CA ASP A 46 -6.730 -5.080 7.194 1.00 0.00 C ATOM 776 C ASP A 46 -7.226 -3.639 7.063 1.00 0.00 C ATOM 777 O ASP A 46 -7.758 -3.075 8.021 1.00 0.00 O ATOM 778 CB ASP A 46 -5.440 -5.125 8.023 1.00 0.00 C ATOM 779 CG ASP A 46 -5.092 -6.532 8.481 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.608 -6.962 9.538 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.309 -7.214 7.789 1.00 0.00 O ATOM 0 H ASP A 46 -5.662 -5.465 5.424 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.510 -5.642 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.617 -4.725 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.549 -4.479 8.894 1.00 0.00 H new ATOM 786 N ILE A 47 -7.074 -3.045 5.883 1.00 0.00 N ATOM 787 CA ILE A 47 -7.457 -1.642 5.686 1.00 0.00 C ATOM 788 C ILE A 47 -8.469 -1.461 4.559 1.00 0.00 C ATOM 789 O ILE A 47 -9.240 -0.502 4.557 1.00 0.00 O ATOM 790 CB ILE A 47 -6.234 -0.760 5.368 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.394 -1.404 4.265 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.411 -0.508 6.618 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.165 -0.614 3.889 1.00 0.00 C ATOM 0 H ILE A 47 -6.693 -3.503 5.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.911 -1.334 6.628 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.583 0.208 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.089 -2.399 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.015 -1.534 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.553 0.117 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.025 -0.001 7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.063 -1.459 7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.623 -1.137 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.462 0.372 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.521 -0.506 4.762 1.00 0.00 H new ATOM 805 N GLY A 48 -8.471 -2.386 3.612 1.00 0.00 N ATOM 806 CA GLY A 48 -9.249 -2.215 2.401 1.00 0.00 C ATOM 807 C GLY A 48 -10.746 -2.279 2.624 1.00 0.00 C ATOM 808 O GLY A 48 -11.520 -1.946 1.730 1.00 0.00 O ATOM 0 H GLY A 48 -7.944 -3.258 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.998 -1.254 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.964 -2.986 1.685 1.00 0.00 H new ATOM 812 N ASN A 49 -11.153 -2.702 3.809 1.00 0.00 N ATOM 813 CA ASN A 49 -12.568 -2.838 4.121 1.00 0.00 C ATOM 814 C ASN A 49 -13.070 -1.634 4.908 1.00 0.00 C ATOM 815 O ASN A 49 -14.234 -1.582 5.302 1.00 0.00 O ATOM 816 CB ASN A 49 -12.831 -4.129 4.909 1.00 0.00 C ATOM 817 CG ASN A 49 -12.609 -5.383 4.079 1.00 0.00 C ATOM 818 OD1 ASN A 49 -11.761 -5.417 3.185 1.00 0.00 O ATOM 819 ND2 ASN A 49 -13.372 -6.425 4.368 1.00 0.00 N ATOM 0 H ASN A 49 -10.525 -2.957 4.571 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.113 -2.887 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.178 -4.156 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.856 -4.121 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.269 -7.294 3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.063 -6.359 5.115 1.00 0.00 H new ATOM 826 N LYS A 50 -12.194 -0.660 5.126 1.00 0.00 N ATOM 827 CA LYS A 50 -12.568 0.540 5.865 1.00 0.00 C ATOM 828 C LYS A 50 -12.683 1.740 4.928 1.00 0.00 C ATOM 829 O LYS A 50 -12.255 1.682 3.777 1.00 0.00 O ATOM 830 CB LYS A 50 -11.554 0.836 6.979 1.00 0.00 C ATOM 831 CG LYS A 50 -12.155 0.774 8.377 1.00 0.00 C ATOM 832 CD LYS A 50 -13.340 1.719 8.510 1.00 0.00 C ATOM 833 CE LYS A 50 -14.056 1.568 9.841 1.00 0.00 C ATOM 834 NZ LYS A 50 -15.286 2.403 9.895 1.00 0.00 N ATOM 0 H LYS A 50 -11.226 -0.677 4.804 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.541 0.360 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.734 0.121 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.128 1.826 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.474 -0.246 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.395 1.034 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.995 2.747 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.044 1.531 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.318 0.522 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.385 1.854 10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.072 1.839 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.120 3.226 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.527 2.729 8.937 1.00 0.00 H new ATOM 848 N ASP A 51 -13.246 2.829 5.451 1.00 0.00 N ATOM 849 CA ASP A 51 -13.491 4.049 4.680 1.00 0.00 C ATOM 850 C ASP A 51 -12.192 4.770 4.341 1.00 0.00 C ATOM 851 O ASP A 51 -12.220 5.821 3.703 1.00 0.00 O ATOM 852 CB ASP A 51 -14.379 5.013 5.478 1.00 0.00 C ATOM 853 CG ASP A 51 -15.567 4.338 6.131 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.359 3.604 7.121 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.708 4.551 5.676 1.00 0.00 O ATOM 0 H ASP A 51 -13.546 2.891 6.424 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.985 3.749 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.777 5.496 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.738 5.799 4.813 1.00 0.00 H new ATOM 860 N ILE A 52 -11.065 4.226 4.814 1.00 0.00 N ATOM 861 CA ILE A 52 -9.742 4.818 4.594 1.00 0.00 C ATOM 862 C ILE A 52 -9.541 6.077 5.458 1.00 0.00 C ATOM 863 O ILE A 52 -8.451 6.317 5.970 1.00 0.00 O ATOM 864 CB ILE A 52 -9.510 5.119 3.080 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.309 4.328 2.549 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.326 6.612 2.811 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.965 4.897 2.953 1.00 0.00 C ATOM 0 H ILE A 52 -11.045 3.364 5.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.993 4.089 4.905 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.407 4.801 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.378 3.300 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.364 4.292 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.168 6.773 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.217 7.152 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.462 6.978 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.169 4.280 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.871 5.914 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.886 4.907 4.040 1.00 0.00 H new ATOM 879 N ALA A 53 -10.608 6.853 5.648 1.00 0.00 N ATOM 880 CA ALA A 53 -10.542 8.090 6.420 1.00 0.00 C ATOM 881 C ALA A 53 -10.383 7.815 7.913 1.00 0.00 C ATOM 882 O ALA A 53 -9.869 8.651 8.657 1.00 0.00 O ATOM 883 CB ALA A 53 -11.782 8.934 6.166 1.00 0.00 C ATOM 0 H ALA A 53 -11.534 6.643 5.274 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.661 8.641 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.721 9.854 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.845 9.178 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.670 8.375 6.463 1.00 0.00 H new ATOM 889 N GLU A 54 -10.825 6.643 8.351 1.00 0.00 N ATOM 890 CA GLU A 54 -10.703 6.264 9.753 1.00 0.00 C ATOM 891 C GLU A 54 -9.480 5.391 9.975 1.00 0.00 C ATOM 892 O GLU A 54 -9.369 4.702 10.990 1.00 0.00 O ATOM 893 CB GLU A 54 -11.952 5.535 10.237 1.00 0.00 C ATOM 894 CG GLU A 54 -13.149 6.445 10.429 1.00 0.00 C ATOM 895 CD GLU A 54 -14.285 5.749 11.140 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.984 4.940 10.497 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.482 6.005 12.345 1.00 0.00 O ATOM 0 H GLU A 54 -11.269 5.941 7.759 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.590 7.182 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.209 4.756 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.729 5.037 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.848 7.323 11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.493 6.800 9.458 1.00 0.00 H new ATOM 904 N LEU A 55 -8.561 5.418 9.028 1.00 0.00 N ATOM 905 CA LEU A 55 -7.318 4.695 9.177 1.00 0.00 C ATOM 906 C LEU A 55 -6.288 5.592 9.839 1.00 0.00 C ATOM 907 O LEU A 55 -5.701 6.466 9.204 1.00 0.00 O ATOM 908 CB LEU A 55 -6.817 4.183 7.827 1.00 0.00 C ATOM 909 CG LEU A 55 -7.684 3.090 7.196 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.119 2.671 5.850 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.792 1.889 8.125 1.00 0.00 C ATOM 0 H LEU A 55 -8.654 5.932 8.152 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.487 3.824 9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.755 5.023 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.805 3.798 7.952 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.684 3.495 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.749 1.894 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.094 3.532 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.108 2.286 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.412 1.123 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.798 1.485 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.244 2.198 9.068 1.00 0.00 H new ATOM 923 N ASP A 56 -6.110 5.389 11.134 1.00 0.00 N ATOM 924 CA ASP A 56 -5.190 6.189 11.926 1.00 0.00 C ATOM 925 C ASP A 56 -3.763 5.744 11.639 1.00 0.00 C ATOM 926 O ASP A 56 -3.546 4.798 10.875 1.00 0.00 O ATOM 927 CB ASP A 56 -5.508 6.009 13.416 1.00 0.00 C ATOM 928 CG ASP A 56 -5.134 7.205 14.272 1.00 0.00 C ATOM 929 OD1 ASP A 56 -3.929 7.475 14.443 1.00 0.00 O ATOM 930 OD2 ASP A 56 -6.056 7.870 14.797 1.00 0.00 O ATOM 0 H ASP A 56 -6.598 4.667 11.665 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.297 7.242 11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.574 5.813 13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.981 5.130 13.787 1.00 0.00 H new ATOM 935 N THR A 57 -2.796 6.403 12.255 1.00 0.00 N ATOM 936 CA THR A 57 -1.407 6.021 12.099 1.00 0.00 C ATOM 937 C THR A 57 -1.224 4.567 12.515 1.00 0.00 C ATOM 938 O THR A 57 -0.600 3.775 11.809 1.00 0.00 O ATOM 939 CB THR A 57 -0.490 6.920 12.947 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.779 8.299 12.687 1.00 0.00 O ATOM 941 CG2 THR A 57 0.972 6.638 12.645 1.00 0.00 C ATOM 0 H THR A 57 -2.949 7.204 12.867 1.00 0.00 H new ATOM 0 HA THR A 57 -1.134 6.141 11.051 1.00 0.00 H new ATOM 0 HB THR A 57 -0.676 6.702 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.193 8.864 13.232 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.601 7.285 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.196 5.596 12.871 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.169 6.831 11.590 1.00 0.00 H new ATOM 949 N GLY A 58 -1.820 4.219 13.650 1.00 0.00 N ATOM 950 CA GLY A 58 -1.736 2.868 14.157 1.00 0.00 C ATOM 951 C GLY A 58 -2.428 1.866 13.258 1.00 0.00 C ATOM 952 O GLY A 58 -1.916 0.771 13.046 1.00 0.00 O ATOM 0 H GLY A 58 -2.364 4.857 14.230 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.688 2.589 14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.182 2.828 15.151 1.00 0.00 H new ATOM 956 N ASP A 59 -3.578 2.248 12.709 1.00 0.00 N ATOM 957 CA ASP A 59 -4.368 1.348 11.867 1.00 0.00 C ATOM 958 C ASP A 59 -3.578 0.904 10.644 1.00 0.00 C ATOM 959 O ASP A 59 -3.735 -0.217 10.171 1.00 0.00 O ATOM 960 CB ASP A 59 -5.672 2.016 11.421 1.00 0.00 C ATOM 961 CG ASP A 59 -6.674 2.151 12.550 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.551 3.100 13.350 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.593 1.311 12.638 1.00 0.00 O ATOM 0 H ASP A 59 -3.986 3.175 12.831 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.607 0.470 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.450 3.004 11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.116 1.434 10.614 1.00 0.00 H new ATOM 968 N LEU A 60 -2.732 1.788 10.138 1.00 0.00 N ATOM 969 CA LEU A 60 -1.897 1.469 8.986 1.00 0.00 C ATOM 970 C LEU A 60 -0.599 0.798 9.427 1.00 0.00 C ATOM 971 O LEU A 60 -0.011 -0.011 8.696 1.00 0.00 O ATOM 972 CB LEU A 60 -1.616 2.740 8.188 1.00 0.00 C ATOM 973 CG LEU A 60 -2.866 3.391 7.592 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.564 4.794 7.107 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.415 2.544 6.452 1.00 0.00 C ATOM 0 H LEU A 60 -2.604 2.731 10.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.429 0.765 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.118 3.461 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.922 2.504 7.381 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.622 3.455 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.468 5.236 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.217 5.401 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.790 4.755 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.304 3.021 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.659 2.449 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.676 1.554 6.827 1.00 0.00 H new ATOM 987 N LEU A 61 -0.166 1.115 10.639 1.00 0.00 N ATOM 988 CA LEU A 61 1.002 0.472 11.212 1.00 0.00 C ATOM 989 C LEU A 61 0.733 -1.003 11.463 1.00 0.00 C ATOM 990 O LEU A 61 1.652 -1.807 11.430 1.00 0.00 O ATOM 991 CB LEU A 61 1.433 1.147 12.519 1.00 0.00 C ATOM 992 CG LEU A 61 2.076 2.526 12.368 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.464 3.082 13.728 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.291 2.452 11.455 1.00 0.00 C ATOM 0 H LEU A 61 -0.606 1.811 11.241 1.00 0.00 H new ATOM 0 HA LEU A 61 1.813 0.573 10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.559 1.242 13.164 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.137 0.491 13.031 1.00 0.00 H new ATOM 0 HG LEU A 61 1.348 3.199 11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.920 4.064 13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.575 3.172 14.352 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.176 2.409 14.206 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.735 3.443 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.023 1.765 11.879 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.986 2.095 10.471 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.527 -1.357 11.704 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.892 -2.747 11.959 1.00 0.00 C ATOM 1008 C VAL A 62 -0.478 -3.663 10.795 1.00 0.00 C ATOM 1009 O VAL A 62 0.278 -4.606 11.013 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.400 -2.924 12.256 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.717 -4.383 12.540 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.828 -2.062 13.431 1.00 0.00 C ATOM 0 H VAL A 62 -1.309 -0.703 11.728 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.341 -3.040 12.853 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.956 -2.605 11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.782 -4.490 12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.453 -4.988 11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.144 -4.718 13.404 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.892 -2.205 13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.262 -2.348 14.317 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.638 -1.014 13.201 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.956 -3.421 9.551 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.549 -4.224 8.388 1.00 0.00 C ATOM 1024 C PRO A 63 0.943 -4.101 8.060 1.00 0.00 C ATOM 1025 O PRO A 63 1.558 -5.067 7.606 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.407 -3.687 7.238 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.862 -2.343 7.682 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.957 -2.405 9.180 1.00 0.00 C ATOM 0 HA PRO A 63 -0.698 -5.287 8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.831 -3.622 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.254 -4.343 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.159 -1.571 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.827 -2.094 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.736 -1.440 9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.957 -2.690 9.507 1.00 0.00 H new ATOM 1036 N ILE A 64 1.532 -2.926 8.283 1.00 0.00 N ATOM 1037 CA ILE A 64 2.975 -2.768 8.089 1.00 0.00 C ATOM 1038 C ILE A 64 3.748 -3.623 9.096 1.00 0.00 C ATOM 1039 O ILE A 64 4.644 -4.388 8.729 1.00 0.00 O ATOM 1040 CB ILE A 64 3.407 -1.290 8.211 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.805 -0.473 7.065 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.928 -1.166 8.213 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.055 1.016 7.178 1.00 0.00 C ATOM 0 H ILE A 64 1.045 -2.085 8.592 1.00 0.00 H new ATOM 0 HA ILE A 64 3.208 -3.105 7.079 1.00 0.00 H new ATOM 0 HB ILE A 64 3.036 -0.898 9.158 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.217 -0.830 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.730 -0.650 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.207 -0.116 8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.337 -1.721 9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.327 -1.572 7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.598 1.527 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.618 1.389 8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.128 1.206 7.181 1.00 0.00 H new ATOM 1055 N LYS A 65 3.370 -3.499 10.361 1.00 0.00 N ATOM 1056 CA LYS A 65 3.951 -4.289 11.440 1.00 0.00 C ATOM 1057 C LYS A 65 3.655 -5.769 11.234 1.00 0.00 C ATOM 1058 O LYS A 65 4.450 -6.629 11.596 1.00 0.00 O ATOM 1059 CB LYS A 65 3.370 -3.816 12.770 1.00 0.00 C ATOM 1060 CG LYS A 65 3.818 -4.612 13.975 1.00 0.00 C ATOM 1061 CD LYS A 65 3.121 -4.115 15.225 1.00 0.00 C ATOM 1062 CE LYS A 65 1.616 -4.316 15.150 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.937 -3.800 16.366 1.00 0.00 N ATOM 0 H LYS A 65 2.650 -2.846 10.670 1.00 0.00 H new ATOM 0 HA LYS A 65 5.033 -4.156 11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.644 -2.772 12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.282 -3.855 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.597 -5.669 13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.898 -4.526 14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.515 -4.641 16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.340 -3.057 15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.223 -3.808 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.395 -5.377 15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.088 -3.953 16.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.295 -4.303 17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.128 -2.783 16.465 1.00 0.00 H new ATOM 1077 N LYS A 66 2.495 -6.043 10.662 1.00 0.00 N ATOM 1078 CA LYS A 66 2.089 -7.393 10.287 1.00 0.00 C ATOM 1079 C LYS A 66 3.172 -8.073 9.448 1.00 0.00 C ATOM 1080 O LYS A 66 3.565 -9.202 9.723 1.00 0.00 O ATOM 1081 CB LYS A 66 0.785 -7.310 9.495 1.00 0.00 C ATOM 1082 CG LYS A 66 0.149 -8.641 9.150 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.106 -8.415 8.326 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.868 -9.701 8.076 1.00 0.00 C ATOM 1085 NZ LYS A 66 -3.076 -9.463 7.241 1.00 0.00 N ATOM 0 H LYS A 66 1.800 -5.330 10.441 1.00 0.00 H new ATOM 0 HA LYS A 66 1.941 -7.988 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.068 -6.722 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.976 -6.767 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.854 -9.258 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.097 -9.184 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.754 -7.706 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.835 -7.964 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.217 -10.421 7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.163 -10.142 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.869 -10.026 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.325 -8.454 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.880 -9.743 6.259 1.00 0.00 H new ATOM 1099 N ILE A 67 3.653 -7.365 8.432 1.00 0.00 N ATOM 1100 CA ILE A 67 4.712 -7.877 7.566 1.00 0.00 C ATOM 1101 C ILE A 67 6.056 -7.865 8.294 1.00 0.00 C ATOM 1102 O ILE A 67 6.868 -8.783 8.146 1.00 0.00 O ATOM 1103 CB ILE A 67 4.816 -7.047 6.274 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.445 -6.963 5.604 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.837 -7.661 5.325 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.406 -6.021 4.422 1.00 0.00 C ATOM 0 H ILE A 67 3.325 -6.431 8.186 1.00 0.00 H new ATOM 0 HA ILE A 67 4.458 -8.904 7.303 1.00 0.00 H new ATOM 0 HB ILE A 67 5.150 -6.040 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.149 -7.959 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.709 -6.640 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.897 -7.061 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.814 -7.686 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.532 -8.676 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.402 -6.012 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.670 -5.015 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.117 -6.355 3.667 1.00 0.00 H new ATOM 1118 N GLU A 68 6.272 -6.825 9.089 1.00 0.00 N ATOM 1119 CA GLU A 68 7.477 -6.700 9.903 1.00 0.00 C ATOM 1120 C GLU A 68 7.613 -7.900 10.848 1.00 0.00 C ATOM 1121 O GLU A 68 8.666 -8.531 10.931 1.00 0.00 O ATOM 1122 CB GLU A 68 7.417 -5.390 10.698 1.00 0.00 C ATOM 1123 CG GLU A 68 8.573 -5.182 11.656 1.00 0.00 C ATOM 1124 CD GLU A 68 8.462 -3.883 12.423 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.595 -3.789 13.320 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.248 -2.953 12.150 1.00 0.00 O ATOM 0 H GLU A 68 5.621 -6.047 9.189 1.00 0.00 H new ATOM 0 HA GLU A 68 8.352 -6.684 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.388 -4.556 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.485 -5.365 11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.612 -6.014 12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.509 -5.192 11.098 1.00 0.00 H new ATOM 1133 N LYS A 69 6.522 -8.221 11.528 1.00 0.00 N ATOM 1134 CA LYS A 69 6.477 -9.336 12.465 1.00 0.00 C ATOM 1135 C LYS A 69 6.409 -10.666 11.713 1.00 0.00 C ATOM 1136 O LYS A 69 6.659 -11.733 12.279 1.00 0.00 O ATOM 1137 CB LYS A 69 5.258 -9.180 13.379 1.00 0.00 C ATOM 1138 CG LYS A 69 5.150 -10.234 14.466 1.00 0.00 C ATOM 1139 CD LYS A 69 3.861 -10.072 15.250 1.00 0.00 C ATOM 1140 CE LYS A 69 3.737 -11.106 16.356 1.00 0.00 C ATOM 1141 NZ LYS A 69 2.469 -10.947 17.112 1.00 0.00 N ATOM 0 H LYS A 69 5.640 -7.715 11.446 1.00 0.00 H new ATOM 0 HA LYS A 69 7.385 -9.333 13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.293 -8.196 13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.355 -9.211 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.187 -11.228 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.003 -10.156 15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.822 -9.072 15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.011 -10.160 14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.782 -12.107 15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.582 -11.013 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.417 -11.669 17.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.438 -10.001 17.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.663 -11.060 16.465 1.00 0.00 H new ATOM 1155 N LEU A 70 6.075 -10.586 10.431 1.00 0.00 N ATOM 1156 CA LEU A 70 5.978 -11.767 9.582 1.00 0.00 C ATOM 1157 C LEU A 70 7.374 -12.272 9.237 1.00 0.00 C ATOM 1158 O LEU A 70 7.547 -13.406 8.788 1.00 0.00 O ATOM 1159 CB LEU A 70 5.202 -11.429 8.302 1.00 0.00 C ATOM 1160 CG LEU A 70 4.757 -12.623 7.461 1.00 0.00 C ATOM 1161 CD1 LEU A 70 3.757 -13.472 8.228 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.154 -12.145 6.151 1.00 0.00 C ATOM 0 H LEU A 70 5.865 -9.709 9.954 1.00 0.00 H new ATOM 0 HA LEU A 70 5.443 -12.551 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.319 -10.852 8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.824 -10.783 7.682 1.00 0.00 H new ATOM 0 HG LEU A 70 5.630 -13.238 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.451 -14.318 7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.218 -13.838 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.883 -12.870 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.840 -13.005 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.291 -11.512 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.898 -11.574 5.595 1.00 0.00 H new ATOM 1174 N GLY A 71 8.367 -11.416 9.450 1.00 0.00 N ATOM 1175 CA GLY A 71 9.743 -11.794 9.204 1.00 0.00 C ATOM 1176 C GLY A 71 10.319 -11.106 7.986 1.00 0.00 C ATOM 1177 O GLY A 71 11.527 -11.124 7.767 1.00 0.00 O ATOM 0 H GLY A 71 8.241 -10.463 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.347 -11.547 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.802 -12.874 9.070 1.00 0.00 H new ATOM 1181 N TYR A 72 9.462 -10.484 7.193 1.00 0.00 N ATOM 1182 CA TYR A 72 9.912 -9.841 5.971 1.00 0.00 C ATOM 1183 C TYR A 72 10.101 -8.345 6.188 1.00 0.00 C ATOM 1184 O TYR A 72 9.260 -7.543 5.794 1.00 0.00 O ATOM 1185 CB TYR A 72 8.925 -10.083 4.826 1.00 0.00 C ATOM 1186 CG TYR A 72 8.612 -11.543 4.576 1.00 0.00 C ATOM 1187 CD1 TYR A 72 9.627 -12.487 4.476 1.00 0.00 C ATOM 1188 CD2 TYR A 72 7.299 -11.973 4.442 1.00 0.00 C ATOM 1189 CE1 TYR A 72 9.339 -13.820 4.253 1.00 0.00 C ATOM 1190 CE2 TYR A 72 7.005 -13.304 4.218 1.00 0.00 C ATOM 1191 CZ TYR A 72 8.027 -14.222 4.122 1.00 0.00 C ATOM 1192 OH TYR A 72 7.734 -15.548 3.900 1.00 0.00 O ATOM 0 H TYR A 72 8.460 -10.411 7.371 1.00 0.00 H new ATOM 0 HA TYR A 72 10.871 -10.281 5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.996 -9.556 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.331 -9.648 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.656 -12.174 4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.495 -11.256 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.138 -14.543 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.978 -13.623 4.119 1.00 0.00 H new ATOM 0 HH TYR A 72 6.763 -15.662 3.833 1.00 0.00 H new ATOM 1202 N LEU A 73 11.203 -7.980 6.834 1.00 0.00 N ATOM 1203 CA LEU A 73 11.520 -6.575 7.082 1.00 0.00 C ATOM 1204 C LEU A 73 11.729 -5.825 5.774 1.00 0.00 C ATOM 1205 O LEU A 73 11.256 -4.703 5.606 1.00 0.00 O ATOM 1206 CB LEU A 73 12.772 -6.450 7.953 1.00 0.00 C ATOM 1207 CG LEU A 73 12.600 -6.899 9.401 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.917 -6.781 10.150 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.519 -6.072 10.079 1.00 0.00 C ATOM 0 H LEU A 73 11.894 -8.637 7.197 1.00 0.00 H new ATOM 0 HA LEU A 73 10.675 -6.132 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.571 -7.036 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.097 -5.410 7.948 1.00 0.00 H new ATOM 0 HG LEU A 73 12.293 -7.945 9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.779 -7.105 11.182 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.666 -7.410 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.251 -5.744 10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.404 -6.400 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.802 -5.019 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.575 -6.203 9.550 1.00 0.00 H new ATOM 1221 N GLU A 74 12.424 -6.470 4.848 1.00 0.00 N ATOM 1222 CA GLU A 74 12.720 -5.878 3.553 1.00 0.00 C ATOM 1223 C GLU A 74 11.418 -5.633 2.789 1.00 0.00 C ATOM 1224 O GLU A 74 11.228 -4.579 2.183 1.00 0.00 O ATOM 1225 CB GLU A 74 13.666 -6.807 2.779 1.00 0.00 C ATOM 1226 CG GLU A 74 14.480 -6.119 1.693 1.00 0.00 C ATOM 1227 CD GLU A 74 13.713 -5.929 0.404 1.00 0.00 C ATOM 1228 OE1 GLU A 74 13.159 -6.923 -0.113 1.00 0.00 O ATOM 1229 OE2 GLU A 74 13.663 -4.793 -0.100 1.00 0.00 O ATOM 0 H GLU A 74 12.796 -7.412 4.972 1.00 0.00 H new ATOM 0 HA GLU A 74 13.216 -4.916 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.350 -7.277 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.079 -7.605 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.812 -5.147 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.376 -6.707 1.492 1.00 0.00 H new ATOM 1236 N ILE A 75 10.504 -6.593 2.867 1.00 0.00 N ATOM 1237 CA ILE A 75 9.207 -6.467 2.220 1.00 0.00 C ATOM 1238 C ILE A 75 8.335 -5.437 2.935 1.00 0.00 C ATOM 1239 O ILE A 75 7.619 -4.673 2.291 1.00 0.00 O ATOM 1240 CB ILE A 75 8.476 -7.827 2.152 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.223 -8.773 1.207 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.027 -7.654 1.714 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.541 -10.111 1.016 1.00 0.00 C ATOM 0 H ILE A 75 10.639 -7.468 3.373 1.00 0.00 H new ATOM 0 HA ILE A 75 9.386 -6.124 1.201 1.00 0.00 H new ATOM 0 HB ILE A 75 8.465 -8.263 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.332 -8.290 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.228 -8.940 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.540 -8.628 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.505 -7.015 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.998 -7.195 0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.129 -10.725 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.456 -10.616 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.546 -9.956 0.598 1.00 0.00 H new ATOM 1255 N ALA A 76 8.408 -5.412 4.263 1.00 0.00 N ATOM 1256 CA ALA A 76 7.667 -4.435 5.058 1.00 0.00 C ATOM 1257 C ALA A 76 8.028 -3.018 4.635 1.00 0.00 C ATOM 1258 O ALA A 76 7.152 -2.166 4.469 1.00 0.00 O ATOM 1259 CB ALA A 76 7.952 -4.633 6.537 1.00 0.00 C ATOM 0 H ALA A 76 8.974 -6.058 4.813 1.00 0.00 H new ATOM 0 HA ALA A 76 6.602 -4.586 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.393 -3.898 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.649 -5.637 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.019 -4.506 6.722 1.00 0.00 H new ATOM 1265 N MET A 77 9.322 -2.774 4.454 1.00 0.00 N ATOM 1266 CA MET A 77 9.792 -1.477 3.980 1.00 0.00 C ATOM 1267 C MET A 77 9.232 -1.179 2.589 1.00 0.00 C ATOM 1268 O MET A 77 8.772 -0.069 2.321 1.00 0.00 O ATOM 1269 CB MET A 77 11.322 -1.421 3.951 1.00 0.00 C ATOM 1270 CG MET A 77 11.965 -1.541 5.324 1.00 0.00 C ATOM 1271 SD MET A 77 13.754 -1.295 5.282 1.00 0.00 S ATOM 1272 CE MET A 77 14.262 -2.636 4.212 1.00 0.00 C ATOM 0 H MET A 77 10.062 -3.455 4.628 1.00 0.00 H new ATOM 0 HA MET A 77 9.434 -0.719 4.676 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.694 -2.224 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.634 -0.481 3.495 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.518 -0.808 5.995 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.748 -2.526 5.737 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.325 -2.542 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 77 14.078 -3.588 4.709 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.693 -2.596 3.283 1.00 0.00 H new ATOM 1282 N ARG A 78 9.255 -2.185 1.716 1.00 0.00 N ATOM 1283 CA ARG A 78 8.745 -2.029 0.357 1.00 0.00 C ATOM 1284 C ARG A 78 7.257 -1.713 0.353 1.00 0.00 C ATOM 1285 O ARG A 78 6.822 -0.757 -0.289 1.00 0.00 O ATOM 1286 CB ARG A 78 8.998 -3.288 -0.474 1.00 0.00 C ATOM 1287 CG ARG A 78 10.461 -3.521 -0.790 1.00 0.00 C ATOM 1288 CD ARG A 78 10.636 -4.603 -1.838 1.00 0.00 C ATOM 1289 NE ARG A 78 12.040 -4.816 -2.150 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.520 -5.005 -3.374 1.00 0.00 C ATOM 1291 NH1 ARG A 78 11.706 -5.020 -4.423 1.00 0.00 N ATOM 1292 NH2 ARG A 78 13.820 -5.173 -3.548 1.00 0.00 N ATOM 0 H ARG A 78 9.620 -3.114 1.926 1.00 0.00 H new ATOM 0 HA ARG A 78 9.282 -1.192 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.609 -4.153 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.440 -3.215 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.910 -2.593 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.990 -3.805 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.196 -5.534 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.098 -4.324 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 78 12.703 -4.821 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.703 -4.886 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.083 -5.166 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.448 -5.157 -2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.194 -5.319 -4.486 1.00 0.00 H new ATOM 1306 N VAL A 79 6.482 -2.517 1.071 1.00 0.00 N ATOM 1307 CA VAL A 79 5.037 -2.343 1.118 1.00 0.00 C ATOM 1308 C VAL A 79 4.674 -0.990 1.718 1.00 0.00 C ATOM 1309 O VAL A 79 3.759 -0.323 1.245 1.00 0.00 O ATOM 1310 CB VAL A 79 4.352 -3.471 1.919 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.854 -3.228 2.033 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.617 -4.819 1.264 1.00 0.00 C ATOM 0 H VAL A 79 6.831 -3.296 1.629 1.00 0.00 H new ATOM 0 HA VAL A 79 4.675 -2.387 0.091 1.00 0.00 H new ATOM 0 HB VAL A 79 4.773 -3.476 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.396 -4.037 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.677 -2.281 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.414 -3.191 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.128 -5.605 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.222 -4.814 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.691 -5.005 1.235 1.00 0.00 H new ATOM 1322 N LYS A 80 5.409 -0.580 2.745 1.00 0.00 N ATOM 1323 CA LYS A 80 5.203 0.729 3.347 1.00 0.00 C ATOM 1324 C LYS A 80 5.451 1.830 2.319 1.00 0.00 C ATOM 1325 O LYS A 80 4.730 2.825 2.286 1.00 0.00 O ATOM 1326 CB LYS A 80 6.110 0.912 4.570 1.00 0.00 C ATOM 1327 CG LYS A 80 6.049 2.305 5.185 1.00 0.00 C ATOM 1328 CD LYS A 80 6.813 2.360 6.498 1.00 0.00 C ATOM 1329 CE LYS A 80 7.186 3.782 6.878 1.00 0.00 C ATOM 1330 NZ LYS A 80 6.016 4.541 7.378 1.00 0.00 N ATOM 0 H LYS A 80 6.150 -1.133 3.176 1.00 0.00 H new ATOM 0 HA LYS A 80 4.168 0.797 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.833 0.179 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.139 0.698 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.466 3.032 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.009 2.586 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.206 1.920 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.717 1.757 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.961 3.762 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.607 4.292 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.058 5.518 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.141 4.089 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.027 4.550 8.418 1.00 0.00 H new ATOM 1344 N GLN A 81 6.455 1.642 1.469 1.00 0.00 N ATOM 1345 CA GLN A 81 6.754 2.608 0.415 1.00 0.00 C ATOM 1346 C GLN A 81 5.660 2.624 -0.646 1.00 0.00 C ATOM 1347 O GLN A 81 5.197 3.697 -1.044 1.00 0.00 O ATOM 1348 CB GLN A 81 8.115 2.327 -0.222 1.00 0.00 C ATOM 1349 CG GLN A 81 9.282 2.758 0.648 1.00 0.00 C ATOM 1350 CD GLN A 81 9.210 4.229 1.014 1.00 0.00 C ATOM 1351 OE1 GLN A 81 8.701 5.051 0.247 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.717 4.569 2.187 1.00 0.00 N ATOM 0 H GLN A 81 7.075 0.832 1.488 1.00 0.00 H new ATOM 0 HA GLN A 81 6.792 3.594 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.199 1.260 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.174 2.843 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.295 2.159 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.217 2.561 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.129 3.857 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.697 5.543 2.488 1.00 0.00 H new ATOM 1361 N TYR A 82 5.248 1.443 -1.101 1.00 0.00 N ATOM 1362 CA TYR A 82 4.138 1.334 -2.044 1.00 0.00 C ATOM 1363 C TYR A 82 2.897 1.998 -1.460 1.00 0.00 C ATOM 1364 O TYR A 82 2.219 2.775 -2.131 1.00 0.00 O ATOM 1365 CB TYR A 82 3.824 -0.133 -2.367 1.00 0.00 C ATOM 1366 CG TYR A 82 5.007 -0.940 -2.858 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.978 -0.375 -3.678 1.00 0.00 C ATOM 1368 CD2 TYR A 82 5.149 -2.276 -2.503 1.00 0.00 C ATOM 1369 CE1 TYR A 82 7.056 -1.117 -4.126 1.00 0.00 C ATOM 1370 CE2 TYR A 82 6.224 -3.023 -2.948 1.00 0.00 C ATOM 1371 CZ TYR A 82 7.175 -2.439 -3.758 1.00 0.00 C ATOM 1372 OH TYR A 82 8.248 -3.178 -4.200 1.00 0.00 O ATOM 0 H TYR A 82 5.664 0.551 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 82 4.430 1.836 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.422 -0.610 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.041 -0.164 -3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.889 0.661 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.407 -2.739 -1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.801 -0.662 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.319 -4.060 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 82 8.183 -4.091 -3.850 1.00 0.00 H new ATOM 1382 N ALA A 83 2.627 1.697 -0.193 1.00 0.00 N ATOM 1383 CA ALA A 83 1.490 2.265 0.512 1.00 0.00 C ATOM 1384 C ALA A 83 1.601 3.781 0.594 1.00 0.00 C ATOM 1385 O ALA A 83 0.630 4.482 0.355 1.00 0.00 O ATOM 1386 CB ALA A 83 1.376 1.674 1.909 1.00 0.00 C ATOM 0 H ALA A 83 3.188 1.056 0.368 1.00 0.00 H new ATOM 0 HA ALA A 83 0.590 2.015 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.519 2.112 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.243 0.594 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.284 1.892 2.471 1.00 0.00 H new ATOM 1392 N THR A 84 2.792 4.279 0.921 1.00 0.00 N ATOM 1393 CA THR A 84 3.019 5.720 1.047 1.00 0.00 C ATOM 1394 C THR A 84 2.713 6.447 -0.265 1.00 0.00 C ATOM 1395 O THR A 84 2.169 7.555 -0.261 1.00 0.00 O ATOM 1396 CB THR A 84 4.466 6.030 1.489 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.739 5.382 2.738 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.689 7.527 1.645 1.00 0.00 C ATOM 0 H THR A 84 3.616 3.707 1.104 1.00 0.00 H new ATOM 0 HA THR A 84 2.337 6.082 1.817 1.00 0.00 H new ATOM 0 HB THR A 84 5.140 5.658 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.900 4.428 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.717 7.711 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.504 8.024 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.006 7.920 2.398 1.00 0.00 H new ATOM 1406 N ALA A 85 3.041 5.810 -1.384 1.00 0.00 N ATOM 1407 CA ALA A 85 2.726 6.364 -2.693 1.00 0.00 C ATOM 1408 C ALA A 85 1.213 6.452 -2.876 1.00 0.00 C ATOM 1409 O ALA A 85 0.695 7.419 -3.437 1.00 0.00 O ATOM 1410 CB ALA A 85 3.356 5.520 -3.795 1.00 0.00 C ATOM 0 H ALA A 85 3.524 4.912 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 85 3.141 7.370 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.110 5.948 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.438 5.505 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.970 4.502 -3.739 1.00 0.00 H new ATOM 1416 N ILE A 86 0.512 5.442 -2.374 1.00 0.00 N ATOM 1417 CA ILE A 86 -0.945 5.417 -2.420 1.00 0.00 C ATOM 1418 C ILE A 86 -1.524 6.433 -1.434 1.00 0.00 C ATOM 1419 O ILE A 86 -2.561 7.036 -1.692 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.500 4.009 -2.092 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.857 2.957 -3.000 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.016 3.986 -2.245 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.270 1.535 -2.676 1.00 0.00 C ATOM 0 H ILE A 86 0.932 4.626 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.245 5.677 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.252 3.772 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.119 3.175 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.227 3.037 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.390 2.989 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.462 4.710 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.282 4.242 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.774 0.847 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.983 1.297 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.350 1.437 -2.782 1.00 0.00 H new ATOM 1435 N MET A 87 -0.837 6.625 -0.312 1.00 0.00 N ATOM 1436 CA MET A 87 -1.263 7.590 0.702 1.00 0.00 C ATOM 1437 C MET A 87 -1.340 8.989 0.112 1.00 0.00 C ATOM 1438 O MET A 87 -2.335 9.689 0.282 1.00 0.00 O ATOM 1439 CB MET A 87 -0.307 7.606 1.898 1.00 0.00 C ATOM 1440 CG MET A 87 -0.150 6.269 2.598 1.00 0.00 C ATOM 1441 SD MET A 87 -1.705 5.607 3.214 1.00 0.00 S ATOM 1442 CE MET A 87 -1.140 4.037 3.861 1.00 0.00 C ATOM 0 H MET A 87 0.021 6.124 -0.079 1.00 0.00 H new ATOM 0 HA MET A 87 -2.250 7.280 1.045 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.673 7.941 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.662 8.340 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.294 5.553 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.545 6.381 3.430 1.00 0.00 H new ATOM 0 HE1 MET A 87 -1.986 3.356 3.955 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.402 3.608 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.687 4.189 4.841 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.287 9.395 -0.592 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.265 10.713 -1.212 1.00 0.00 C ATOM 1454 C ARG A 88 -1.332 10.797 -2.297 1.00 0.00 C ATOM 1455 O ARG A 88 -1.968 11.837 -2.480 1.00 0.00 O ATOM 1456 CB ARG A 88 1.113 11.024 -1.800 1.00 0.00 C ATOM 1457 CG ARG A 88 1.231 12.460 -2.281 1.00 0.00 C ATOM 1458 CD ARG A 88 2.597 12.761 -2.869 1.00 0.00 C ATOM 1459 NE ARG A 88 2.712 14.167 -3.248 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.617 14.649 -4.097 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.493 13.836 -4.682 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.642 15.949 -4.364 1.00 0.00 N ATOM 0 H ARG A 88 0.553 8.836 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.478 11.455 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.877 10.833 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.310 10.348 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.464 12.653 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.040 13.137 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.371 12.513 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.766 12.131 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 88 2.053 14.826 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.474 12.836 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.183 14.213 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.970 16.574 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.334 16.323 -5.014 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.530 9.687 -2.998 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.579 9.586 -4.003 1.00 0.00 C ATOM 1478 C TYR A 89 -3.942 9.799 -3.344 1.00 0.00 C ATOM 1479 O TYR A 89 -4.800 10.497 -3.881 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.516 8.211 -4.682 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.384 8.076 -5.915 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -2.957 8.567 -7.142 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.622 7.444 -5.856 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -3.738 8.437 -8.275 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.408 7.310 -6.986 1.00 0.00 C ATOM 1486 CZ TYR A 89 -4.961 7.807 -8.193 1.00 0.00 C ATOM 1487 OH TYR A 89 -5.743 7.679 -9.321 1.00 0.00 O ATOM 0 H TYR A 89 -0.973 8.840 -2.887 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.433 10.355 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.482 8.004 -4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.812 7.450 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -1.998 9.059 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.975 7.052 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.391 8.827 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.368 6.818 -6.924 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.215 7.276 -10.041 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.110 9.212 -2.160 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.336 9.346 -1.380 1.00 0.00 C ATOM 1499 C ALA A 90 -5.579 10.796 -0.970 1.00 0.00 C ATOM 1500 O ALA A 90 -6.706 11.290 -1.048 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.270 8.453 -0.150 1.00 0.00 C ATOM 0 H ALA A 90 -3.399 8.631 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.172 9.033 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.189 8.559 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.154 7.414 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.419 8.745 0.466 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.523 11.474 -0.534 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.621 12.876 -0.135 1.00 0.00 C ATOM 1509 C VAL A 91 -5.095 13.733 -1.309 1.00 0.00 C ATOM 1510 O VAL A 91 -5.974 14.583 -1.163 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.269 13.421 0.384 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.409 14.860 0.861 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.726 12.547 1.503 1.00 0.00 C ATOM 0 H VAL A 91 -3.588 11.076 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.347 12.930 0.677 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.562 13.400 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.445 15.219 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.744 15.486 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.138 14.906 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.775 12.951 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.437 12.530 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.576 11.533 1.132 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.530 13.477 -2.482 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.884 14.221 -3.686 1.00 0.00 C ATOM 1525 C GLN A 92 -6.263 13.809 -4.198 1.00 0.00 C ATOM 1526 O GLN A 92 -6.890 14.524 -4.981 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.837 13.990 -4.781 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.425 14.401 -4.383 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.304 15.881 -4.066 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.039 16.697 -4.948 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -2.477 16.236 -2.803 1.00 0.00 N ATOM 0 H GLN A 92 -3.822 12.757 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.910 15.280 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.835 12.934 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.129 14.546 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.116 13.822 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.738 14.151 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.696 15.530 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.392 17.216 -2.532 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.735 12.657 -3.744 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.008 12.115 -4.198 1.00 0.00 C ATOM 1542 C GLN A 93 -9.130 12.488 -3.226 1.00 0.00 C ATOM 1543 O GLN A 93 -10.272 12.055 -3.389 1.00 0.00 O ATOM 1544 CB GLN A 93 -7.899 10.591 -4.331 1.00 0.00 C ATOM 1545 CG GLN A 93 -9.027 9.939 -5.118 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.985 10.258 -6.602 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.541 11.331 -7.018 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -9.439 9.318 -7.412 1.00 0.00 N ATOM 0 H GLN A 93 -6.253 12.077 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.248 12.543 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.951 10.349 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.871 10.154 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.977 8.858 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.983 10.267 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.798 8.444 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.430 9.466 -8.421 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.794 13.305 -2.223 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.755 13.741 -1.203 1.00 0.00 C ATOM 1559 C LYS A 94 -10.228 12.558 -0.361 1.00 0.00 C ATOM 1560 O LYS A 94 -11.394 12.468 0.026 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.947 14.465 -1.843 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.574 15.789 -2.493 1.00 0.00 C ATOM 1563 CD LYS A 94 -9.976 16.766 -1.489 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.649 18.098 -2.143 1.00 0.00 C ATOM 1565 NZ LYS A 94 -9.015 19.049 -1.192 1.00 0.00 N ATOM 0 H LYS A 94 -7.855 13.681 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.248 14.446 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.397 13.815 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.705 14.644 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.859 15.610 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.460 16.232 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.677 16.923 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.071 16.339 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.981 17.932 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.563 18.540 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.809 19.944 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.662 19.229 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.129 18.640 -0.831 1.00 0.00 H new ATOM 1579 N MET A 95 -9.302 11.656 -0.073 1.00 0.00 N ATOM 1580 CA MET A 95 -9.584 10.506 0.771 1.00 0.00 C ATOM 1581 C MET A 95 -9.130 10.779 2.197 1.00 0.00 C ATOM 1582 O MET A 95 -9.921 10.709 3.136 1.00 0.00 O ATOM 1583 CB MET A 95 -8.873 9.267 0.232 1.00 0.00 C ATOM 1584 CG MET A 95 -9.376 8.818 -1.125 1.00 0.00 C ATOM 1585 SD MET A 95 -8.317 7.565 -1.868 1.00 0.00 S ATOM 1586 CE MET A 95 -8.299 6.316 -0.582 1.00 0.00 C ATOM 0 H MET A 95 -8.342 11.700 -0.415 1.00 0.00 H new ATOM 0 HA MET A 95 -10.659 10.328 0.767 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.805 9.473 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 95 -8.995 8.450 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.386 8.422 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.437 9.679 -1.790 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.850 5.401 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.716 6.675 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.320 6.111 -0.260 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.852 11.099 2.344 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.283 11.404 3.647 1.00 0.00 C ATOM 1598 C ILE A 96 -6.694 12.809 3.637 1.00 0.00 C ATOM 1599 O ILE A 96 -6.258 13.293 2.594 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.204 10.372 4.063 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.063 10.325 3.043 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.828 8.992 4.218 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.975 9.329 3.391 1.00 0.00 C ATOM 0 H ILE A 96 -7.188 11.154 1.572 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.085 11.350 4.383 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.789 10.684 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.473 10.075 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.621 11.318 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.060 8.276 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.602 9.027 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.269 8.684 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.202 9.352 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.538 9.590 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.402 8.328 3.446 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.702 13.467 4.787 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.234 14.846 4.878 1.00 0.00 C ATOM 1617 C ARG A 97 -4.713 14.915 4.959 1.00 0.00 C ATOM 1618 O ARG A 97 -4.093 15.824 4.410 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.856 15.539 6.092 1.00 0.00 C ATOM 1620 CG ARG A 97 -8.366 15.684 6.001 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.945 16.307 7.261 1.00 0.00 C ATOM 1622 NE ARG A 97 -10.394 16.481 7.170 1.00 0.00 N ATOM 1623 CZ ARG A 97 -11.229 16.355 8.204 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -10.763 16.058 9.410 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -12.533 16.533 8.028 1.00 0.00 N ATOM 0 H ARG A 97 -7.026 13.071 5.669 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.547 15.363 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.607 14.974 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.410 16.527 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.622 16.300 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.817 14.705 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.709 15.677 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.474 17.274 7.437 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.792 16.713 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.762 15.925 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.406 15.963 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.896 16.766 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.172 16.437 8.817 1.00 0.00 H new ATOM 1639 N PHE A 98 -4.119 13.951 5.647 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.673 13.910 5.816 1.00 0.00 C ATOM 1641 C PHE A 98 -2.175 12.478 5.678 1.00 0.00 C ATOM 1642 O PHE A 98 -2.976 11.548 5.601 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.261 14.478 7.179 1.00 0.00 C ATOM 1644 CG PHE A 98 -2.571 15.940 7.348 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -1.714 16.906 6.842 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -3.718 16.351 8.013 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.995 18.250 6.993 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -4.004 17.694 8.167 1.00 0.00 C ATOM 1649 CZ PHE A 98 -3.142 18.645 7.656 1.00 0.00 C ATOM 0 H PHE A 98 -4.617 13.184 6.099 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.221 14.527 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.767 13.916 7.964 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.191 14.325 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.816 16.604 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.395 15.612 8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.319 18.992 6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.900 18.000 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.364 19.695 7.774 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.860 12.307 5.656 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.263 10.988 5.468 1.00 0.00 C ATOM 1661 C ASN A 99 0.137 10.376 6.815 1.00 0.00 C ATOM 1662 O ASN A 99 1.048 10.863 7.481 1.00 0.00 O ATOM 1663 CB ASN A 99 0.966 11.093 4.555 1.00 0.00 C ATOM 1664 CG ASN A 99 1.459 9.744 4.063 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.248 8.716 4.702 1.00 0.00 O ATOM 1666 ND2 ASN A 99 2.135 9.739 2.925 1.00 0.00 N ATOM 0 H ASN A 99 -0.185 13.064 5.766 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.003 10.339 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.721 11.719 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.771 11.592 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.500 8.862 2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.291 10.612 2.421 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.552 9.305 7.236 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.276 8.622 8.504 1.00 0.00 C ATOM 1675 C PRO A 100 0.935 7.685 8.423 1.00 0.00 C ATOM 1676 O PRO A 100 1.382 7.146 9.437 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.561 7.821 8.772 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.517 8.194 7.679 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.677 8.686 6.539 1.00 0.00 C ATOM 0 HA PRO A 100 -0.027 9.330 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.361 6.750 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.974 8.063 9.751 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.118 7.336 7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.209 8.966 8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.356 7.873 5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.214 9.401 5.915 1.00 0.00 H new ATOM 1687 N ALA A 101 1.481 7.510 7.221 1.00 0.00 N ATOM 1688 CA ALA A 101 2.646 6.648 7.015 1.00 0.00 C ATOM 1689 C ALA A 101 3.934 7.356 7.425 1.00 0.00 C ATOM 1690 O ALA A 101 5.025 6.963 7.013 1.00 0.00 O ATOM 1691 CB ALA A 101 2.726 6.202 5.562 1.00 0.00 C ATOM 0 H ALA A 101 1.134 7.955 6.371 1.00 0.00 H new ATOM 0 HA ALA A 101 2.529 5.768 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.598 5.562 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.824 5.648 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.814 7.077 4.917 1.00 0.00 H new