USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 854 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 19 LYS NZ :NH3+ -121:sc= -0.994 (180deg=-0.296) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.84 K(o=-1.7,f=-7.9!) USER MOD Set 1.3: A 106 SER OG : rot 180:sc= 0.144 USER MOD Set 2.1: A 23 MET CE :methyl -156:sc= 0 (180deg=-0.982) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 32:sc= 0.207 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 29 SER OG : rot 180:sc= -0.151 USER MOD Single : A 35 GLN : amide:sc= -5.24! C(o=-5.2!,f=-9!) USER MOD Single : A 41 SER OG : rot -120:sc= -0.175 USER MOD Single : A 46 CYS SG : rot -68:sc= -4.36! USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.676) USER MOD Single : A 49 MET CE :methyl -158:sc= -0.168 (180deg=-0.92) USER MOD Single : A 62 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.7) USER MOD Single : A 66 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 132:sc= -2.34 USER MOD Single : A 76 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0932 K(o=-0.093,f=-2.7!) USER MOD Single : A 89 THR OG1 : rot -35:sc= 0.408 USER MOD Single : A 91 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-1.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -117:sc= 0.701 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= 2.46 (180deg=1.68) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 3.369 14.740 -7.110 1.00 0.00 N ATOM 164 CA SER A 13 2.573 13.726 -7.781 1.00 0.00 C ATOM 165 C SER A 13 2.310 12.538 -6.856 1.00 0.00 C ATOM 166 O SER A 13 3.112 11.613 -6.774 1.00 0.00 O ATOM 167 CB SER A 13 3.285 13.280 -9.063 1.00 0.00 C ATOM 168 OG SER A 13 3.615 14.404 -9.864 1.00 0.00 O ATOM 0 HA SER A 13 1.606 14.153 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.190 12.728 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.644 12.601 -9.625 1.00 0.00 H new ATOM 0 HG SER A 13 3.808 15.172 -9.286 1.00 0.00 H new ATOM 174 N TYR A 14 1.198 12.606 -6.126 1.00 0.00 N ATOM 175 CA TYR A 14 0.752 11.516 -5.260 1.00 0.00 C ATOM 176 C TYR A 14 -0.766 11.398 -5.323 1.00 0.00 C ATOM 177 O TYR A 14 -1.456 12.379 -5.609 1.00 0.00 O ATOM 178 CB TYR A 14 1.192 11.744 -3.803 1.00 0.00 C ATOM 179 CG TYR A 14 2.671 11.502 -3.551 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.152 10.217 -3.315 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.584 12.553 -3.540 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.492 9.989 -3.073 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.926 12.328 -3.302 1.00 0.00 C ATOM 184 CZ TYR A 14 5.375 11.047 -3.069 1.00 0.00 C ATOM 185 OH TYR A 14 6.710 10.825 -2.821 1.00 0.00 O ATOM 0 H TYR A 14 0.581 13.418 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 14 1.210 10.593 -5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.950 12.768 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.613 11.087 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.465 9.384 -3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.238 13.560 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.847 8.986 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.621 13.154 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 14 7.195 11.676 -2.856 1.00 0.00 H new ATOM 195 N ILE A 15 -1.282 10.198 -5.072 1.00 0.00 N ATOM 196 CA ILE A 15 -2.726 9.968 -5.062 1.00 0.00 C ATOM 197 C ILE A 15 -3.218 9.744 -3.636 1.00 0.00 C ATOM 198 O ILE A 15 -3.996 10.540 -3.106 1.00 0.00 O ATOM 199 CB ILE A 15 -3.123 8.757 -5.947 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.716 9.008 -7.408 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.625 8.479 -5.843 1.00 0.00 C ATOM 202 CD1 ILE A 15 -3.125 7.900 -8.357 1.00 0.00 C ATOM 0 H ILE A 15 -0.723 9.369 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.199 10.859 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.591 7.877 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.162 9.944 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.635 9.135 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.882 7.626 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.883 8.257 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.181 9.355 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.803 8.150 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.658 6.965 -8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.209 7.787 -8.339 1.00 0.00 H new ATOM 214 N VAL A 16 -2.749 8.667 -3.010 1.00 0.00 N ATOM 215 CA VAL A 16 -3.165 8.323 -1.653 1.00 0.00 C ATOM 216 C VAL A 16 -1.981 8.415 -0.690 1.00 0.00 C ATOM 217 O VAL A 16 -1.021 7.648 -0.796 1.00 0.00 O ATOM 218 CB VAL A 16 -3.774 6.898 -1.582 1.00 0.00 C ATOM 219 CG1 VAL A 16 -4.227 6.566 -0.160 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.934 6.750 -2.567 1.00 0.00 C ATOM 0 H VAL A 16 -2.080 8.017 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.932 9.040 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.996 6.188 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.650 5.562 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.372 6.615 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.982 7.285 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.344 5.742 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.711 7.475 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.575 6.927 -3.581 1.00 0.00 H new ATOM 230 N ARG A 17 -2.054 9.379 0.223 1.00 0.00 N ATOM 231 CA ARG A 17 -1.064 9.542 1.285 1.00 0.00 C ATOM 232 C ARG A 17 -1.691 9.187 2.631 1.00 0.00 C ATOM 233 O ARG A 17 -2.412 9.997 3.223 1.00 0.00 O ATOM 234 CB ARG A 17 -0.543 10.988 1.314 1.00 0.00 C ATOM 235 CG ARG A 17 0.469 11.318 0.217 1.00 0.00 C ATOM 236 CD ARG A 17 0.760 12.816 0.146 1.00 0.00 C ATOM 237 NE ARG A 17 0.975 13.407 1.473 1.00 0.00 N ATOM 238 CZ ARG A 17 1.464 14.631 1.679 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.916 15.351 0.666 1.00 0.00 N ATOM 240 NH2 ARG A 17 1.532 15.119 2.909 1.00 0.00 N ATOM 0 H ARG A 17 -2.803 10.071 0.248 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.225 8.874 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.390 11.668 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.083 11.176 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.396 10.776 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.087 10.976 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.643 12.983 -0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.072 13.322 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 17 0.735 12.845 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.892 14.971 -0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.288 16.286 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.210 14.559 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.906 16.055 3.066 1.00 0.00 H new ATOM 254 N VAL A 18 -1.436 7.974 3.107 1.00 0.00 N ATOM 255 CA VAL A 18 -1.993 7.511 4.376 1.00 0.00 C ATOM 256 C VAL A 18 -0.895 6.951 5.277 1.00 0.00 C ATOM 257 O VAL A 18 0.202 6.635 4.812 1.00 0.00 O ATOM 258 CB VAL A 18 -3.097 6.441 4.167 1.00 0.00 C ATOM 259 CG1 VAL A 18 -4.342 7.061 3.533 1.00 0.00 C ATOM 260 CG2 VAL A 18 -2.576 5.288 3.312 1.00 0.00 C ATOM 0 H VAL A 18 -0.846 7.290 2.633 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.448 8.376 4.859 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.374 6.045 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.102 6.292 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.731 7.844 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.082 7.490 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.366 4.549 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.265 5.668 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.724 4.823 3.808 1.00 0.00 H new ATOM 270 N LYS A 19 -1.199 6.841 6.563 1.00 0.00 N ATOM 271 CA LYS A 19 -0.233 6.388 7.557 1.00 0.00 C ATOM 272 C LYS A 19 -0.405 4.899 7.845 1.00 0.00 C ATOM 273 O LYS A 19 -1.528 4.406 7.959 1.00 0.00 O ATOM 274 CB LYS A 19 -0.396 7.210 8.847 1.00 0.00 C ATOM 275 CG LYS A 19 0.396 6.680 10.040 1.00 0.00 C ATOM 276 CD LYS A 19 0.303 7.622 11.239 1.00 0.00 C ATOM 277 CE LYS A 19 0.821 6.971 12.516 1.00 0.00 C ATOM 278 NZ LYS A 19 -0.045 5.842 12.954 1.00 0.00 N ATOM 0 H LYS A 19 -2.118 7.062 6.946 1.00 0.00 H new ATOM 0 HA LYS A 19 0.772 6.537 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.088 8.237 8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.453 7.240 9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.019 5.696 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.441 6.553 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.876 8.527 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.734 7.926 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.836 6.608 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.873 7.717 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.406 6.032 13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.844 5.742 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.509 4.962 12.961 1.00 0.00 H new ATOM 292 N ALA A 20 0.714 4.195 7.950 1.00 0.00 N ATOM 293 CA ALA A 20 0.722 2.770 8.267 1.00 0.00 C ATOM 294 C ALA A 20 2.087 2.372 8.819 1.00 0.00 C ATOM 295 O ALA A 20 2.956 3.230 9.021 1.00 0.00 O ATOM 296 CB ALA A 20 0.376 1.947 7.029 1.00 0.00 C ATOM 0 H ALA A 20 1.643 4.594 7.818 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.034 2.569 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.386 0.887 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.616 2.225 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.110 2.140 6.247 1.00 0.00 H new ATOM 302 N VAL A 21 2.273 1.079 9.072 1.00 0.00 N ATOM 303 CA VAL A 21 3.552 0.567 9.550 1.00 0.00 C ATOM 304 C VAL A 21 4.258 -0.216 8.449 1.00 0.00 C ATOM 305 O VAL A 21 3.914 -1.367 8.179 1.00 0.00 O ATOM 306 CB VAL A 21 3.387 -0.352 10.784 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.756 -0.758 11.334 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.535 0.322 11.858 1.00 0.00 C ATOM 0 H VAL A 21 1.553 0.367 8.953 1.00 0.00 H new ATOM 0 HA VAL A 21 4.148 1.433 9.839 1.00 0.00 H new ATOM 0 HB VAL A 21 2.866 -1.257 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.622 -1.404 12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.313 -1.293 10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.309 0.134 11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.434 -0.345 12.714 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.014 1.249 12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.548 0.544 11.453 1.00 0.00 H new ATOM 318 N VAL A 22 5.226 0.418 7.802 1.00 0.00 N ATOM 319 CA VAL A 22 6.015 -0.236 6.764 1.00 0.00 C ATOM 320 C VAL A 22 6.854 -1.375 7.360 1.00 0.00 C ATOM 321 O VAL A 22 7.590 -1.175 8.332 1.00 0.00 O ATOM 322 CB VAL A 22 6.927 0.785 6.029 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.089 1.710 5.147 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.746 1.599 7.029 1.00 0.00 C ATOM 0 H VAL A 22 5.486 1.389 7.978 1.00 0.00 H new ATOM 0 HA VAL A 22 5.325 -0.659 6.034 1.00 0.00 H new ATOM 0 HB VAL A 22 7.618 0.230 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.743 2.419 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.551 1.118 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.375 2.254 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.377 2.307 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.074 2.143 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.373 0.929 7.617 1.00 0.00 H new ATOM 334 N MET A 23 6.731 -2.565 6.778 1.00 0.00 N ATOM 335 CA MET A 23 7.385 -3.771 7.295 1.00 0.00 C ATOM 336 C MET A 23 8.284 -4.408 6.238 1.00 0.00 C ATOM 337 O MET A 23 8.007 -4.324 5.037 1.00 0.00 O ATOM 338 CB MET A 23 6.333 -4.803 7.742 1.00 0.00 C ATOM 339 CG MET A 23 5.596 -4.447 9.026 1.00 0.00 C ATOM 340 SD MET A 23 6.676 -4.469 10.471 1.00 0.00 S ATOM 341 CE MET A 23 5.481 -4.300 11.792 1.00 0.00 C ATOM 0 H MET A 23 6.177 -2.724 5.936 1.00 0.00 H new ATOM 0 HA MET A 23 7.995 -3.472 8.147 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.603 -4.926 6.942 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.824 -5.767 7.877 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.152 -3.457 8.924 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.777 -5.150 9.178 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.968 -3.879 12.671 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.675 -3.639 11.472 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.071 -5.279 12.039 1.00 0.00 H new ATOM 351 N THR A 24 9.346 -5.060 6.693 1.00 0.00 N ATOM 352 CA THR A 24 10.240 -5.801 5.816 1.00 0.00 C ATOM 353 C THR A 24 10.314 -7.263 6.257 1.00 0.00 C ATOM 354 O THR A 24 9.791 -7.635 7.314 1.00 0.00 O ATOM 355 CB THR A 24 11.663 -5.187 5.789 1.00 0.00 C ATOM 356 OG1 THR A 24 12.474 -5.860 4.815 1.00 0.00 O ATOM 357 CG2 THR A 24 12.335 -5.264 7.152 1.00 0.00 C ATOM 0 H THR A 24 9.611 -5.090 7.678 1.00 0.00 H new ATOM 0 HA THR A 24 9.833 -5.742 4.806 1.00 0.00 H new ATOM 0 HB THR A 24 11.561 -4.136 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.370 -5.463 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.330 -4.824 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.739 -4.717 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.417 -6.307 7.459 1.00 0.00 H new ATOM 365 N ARG A 25 10.960 -8.084 5.443 1.00 0.00 N ATOM 366 CA ARG A 25 11.084 -9.510 5.710 1.00 0.00 C ATOM 367 C ARG A 25 12.555 -9.884 5.821 1.00 0.00 C ATOM 368 O ARG A 25 13.399 -9.334 5.114 1.00 0.00 O ATOM 369 CB ARG A 25 10.404 -10.309 4.589 1.00 0.00 C ATOM 370 CG ARG A 25 10.417 -11.829 4.769 1.00 0.00 C ATOM 371 CD ARG A 25 9.755 -12.262 6.072 1.00 0.00 C ATOM 372 NE ARG A 25 9.180 -13.609 5.977 1.00 0.00 N ATOM 373 CZ ARG A 25 8.996 -14.419 7.017 1.00 0.00 C ATOM 374 NH1 ARG A 25 9.486 -14.106 8.205 1.00 0.00 N ATOM 375 NH2 ARG A 25 8.348 -15.565 6.858 1.00 0.00 N ATOM 0 H ARG A 25 11.412 -7.782 4.580 1.00 0.00 H new ATOM 0 HA ARG A 25 10.592 -9.749 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.369 -9.978 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.892 -10.067 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.902 -12.297 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.447 -12.186 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.489 -12.238 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.971 -11.551 6.334 1.00 0.00 H new ATOM 0 HE ARG A 25 8.904 -13.946 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.009 -13.239 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.341 -14.732 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.991 -15.826 5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.207 -16.186 7.655 1.00 0.00 H new ATOM 389 N ASP A 26 12.855 -10.821 6.709 1.00 0.00 N ATOM 390 CA ASP A 26 14.223 -11.290 6.923 1.00 0.00 C ATOM 391 C ASP A 26 14.629 -12.298 5.844 1.00 0.00 C ATOM 392 O ASP A 26 15.674 -12.950 5.949 1.00 0.00 O ATOM 393 CB ASP A 26 14.336 -11.930 8.314 1.00 0.00 C ATOM 394 CG ASP A 26 13.532 -13.220 8.436 1.00 0.00 C ATOM 395 OD1 ASP A 26 12.286 -13.179 8.268 1.00 0.00 O ATOM 396 OD2 ASP A 26 14.141 -14.279 8.697 1.00 0.00 O ATOM 0 H ASP A 26 12.162 -11.278 7.301 1.00 0.00 H new ATOM 0 HA ASP A 26 14.898 -10.437 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.384 -12.138 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.991 -11.220 9.065 1.00 0.00 H new ATOM 401 N ASP A 27 13.807 -12.386 4.791 1.00 0.00 N ATOM 402 CA ASP A 27 13.963 -13.384 3.731 1.00 0.00 C ATOM 403 C ASP A 27 13.778 -14.798 4.283 1.00 0.00 C ATOM 404 O ASP A 27 13.957 -15.036 5.478 1.00 0.00 O ATOM 405 CB ASP A 27 15.318 -13.246 3.016 1.00 0.00 C ATOM 406 CG ASP A 27 15.566 -14.367 2.017 1.00 0.00 C ATOM 407 OD1 ASP A 27 14.721 -14.568 1.114 1.00 0.00 O ATOM 408 OD2 ASP A 27 16.593 -15.063 2.141 1.00 0.00 O ATOM 0 H ASP A 27 13.012 -11.763 4.652 1.00 0.00 H new ATOM 0 HA ASP A 27 13.184 -13.201 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.356 -12.287 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.117 -13.240 3.757 1.00 0.00 H new ATOM 413 N SER A 28 13.421 -15.731 3.407 1.00 0.00 N ATOM 414 CA SER A 28 13.083 -17.086 3.824 1.00 0.00 C ATOM 415 C SER A 28 11.943 -17.028 4.855 1.00 0.00 C ATOM 416 O SER A 28 10.848 -16.560 4.528 1.00 0.00 O ATOM 417 CB SER A 28 14.330 -17.806 4.373 1.00 0.00 C ATOM 418 OG SER A 28 14.033 -19.128 4.791 1.00 0.00 O ATOM 0 H SER A 28 13.358 -15.573 2.401 1.00 0.00 H new ATOM 0 HA SER A 28 12.736 -17.664 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.102 -17.833 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.735 -17.242 5.213 1.00 0.00 H new ATOM 0 HG SER A 28 14.847 -19.554 5.131 1.00 0.00 H new ATOM 424 N SER A 29 12.193 -17.461 6.092 1.00 0.00 N ATOM 425 CA SER A 29 11.183 -17.395 7.143 1.00 0.00 C ATOM 426 C SER A 29 11.821 -17.356 8.533 1.00 0.00 C ATOM 427 O SER A 29 12.266 -18.382 9.055 1.00 0.00 O ATOM 428 CB SER A 29 10.221 -18.584 7.043 1.00 0.00 C ATOM 429 OG SER A 29 9.570 -18.621 5.778 1.00 0.00 O ATOM 0 H SER A 29 13.084 -17.860 6.387 1.00 0.00 H new ATOM 0 HA SER A 29 10.623 -16.471 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.771 -19.512 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.476 -18.518 7.836 1.00 0.00 H new ATOM 0 HG SER A 29 8.965 -19.391 5.744 1.00 0.00 H new ATOM 435 N GLY A 30 11.891 -16.161 9.111 1.00 0.00 N ATOM 436 CA GLY A 30 12.312 -16.010 10.495 1.00 0.00 C ATOM 437 C GLY A 30 11.357 -15.123 11.268 1.00 0.00 C ATOM 438 O GLY A 30 11.110 -15.344 12.457 1.00 0.00 O ATOM 0 H GLY A 30 11.661 -15.285 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.366 -16.990 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.315 -15.584 10.528 1.00 0.00 H new ATOM 442 N GLY A 31 10.820 -14.115 10.587 1.00 0.00 N ATOM 443 CA GLY A 31 9.836 -13.223 11.186 1.00 0.00 C ATOM 444 C GLY A 31 9.836 -11.851 10.534 1.00 0.00 C ATOM 445 O GLY A 31 10.898 -11.265 10.323 1.00 0.00 O ATOM 0 H GLY A 31 11.051 -13.896 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.844 -13.666 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.044 -13.118 12.251 1.00 0.00 H new ATOM 449 N TRP A 32 8.651 -11.348 10.185 1.00 0.00 N ATOM 450 CA TRP A 32 8.524 -10.005 9.615 1.00 0.00 C ATOM 451 C TRP A 32 8.868 -8.956 10.669 1.00 0.00 C ATOM 452 O TRP A 32 8.468 -9.085 11.830 1.00 0.00 O ATOM 453 CB TRP A 32 7.105 -9.768 9.070 1.00 0.00 C ATOM 454 CG TRP A 32 6.785 -10.588 7.851 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.445 -11.909 7.810 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.778 -10.131 6.494 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.231 -12.301 6.511 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.426 -11.227 5.684 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.033 -8.900 5.887 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.326 -11.128 4.299 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.934 -8.804 4.514 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.582 -9.911 3.732 1.00 0.00 C ATOM 0 H TRP A 32 7.768 -11.848 10.286 1.00 0.00 H new ATOM 0 HA TRP A 32 9.223 -9.918 8.784 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.381 -9.997 9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.989 -8.712 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.357 -12.552 8.673 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.969 -13.240 6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.303 -8.039 6.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.056 -11.981 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.132 -7.857 4.033 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.511 -9.801 2.660 1.00 0.00 H new ATOM 473 N PHE A 33 9.606 -7.927 10.272 1.00 0.00 N ATOM 474 CA PHE A 33 10.080 -6.915 11.212 1.00 0.00 C ATOM 475 C PHE A 33 10.120 -5.540 10.551 1.00 0.00 C ATOM 476 O PHE A 33 10.264 -5.439 9.334 1.00 0.00 O ATOM 477 CB PHE A 33 11.474 -7.294 11.742 1.00 0.00 C ATOM 478 CG PHE A 33 12.581 -7.253 10.705 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.577 -8.120 9.619 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.637 -6.358 10.830 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.599 -8.094 8.687 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.657 -6.328 9.897 1.00 0.00 C ATOM 483 CZ PHE A 33 14.640 -7.198 8.826 1.00 0.00 C ATOM 0 H PHE A 33 9.890 -7.770 9.305 1.00 0.00 H new ATOM 0 HA PHE A 33 9.385 -6.871 12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.734 -6.618 12.557 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.427 -8.298 12.163 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.766 -8.823 9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.661 -5.677 11.668 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.582 -8.776 7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.468 -5.623 10.007 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.438 -7.178 8.099 1.00 0.00 H new ATOM 493 N PRO A 34 9.976 -4.461 11.342 1.00 0.00 N ATOM 494 CA PRO A 34 10.079 -3.096 10.832 1.00 0.00 C ATOM 495 C PRO A 34 11.535 -2.630 10.726 1.00 0.00 C ATOM 496 O PRO A 34 12.250 -2.555 11.729 1.00 0.00 O ATOM 497 CB PRO A 34 9.313 -2.283 11.879 1.00 0.00 C ATOM 498 CG PRO A 34 9.521 -3.026 13.160 1.00 0.00 C ATOM 499 CD PRO A 34 9.670 -4.486 12.792 1.00 0.00 C ATOM 0 HA PRO A 34 9.682 -2.992 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.694 -1.264 11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.254 -2.212 11.629 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.409 -2.664 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.677 -2.880 13.834 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.469 -4.961 13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.757 -5.045 12.998 1.00 0.00 H new ATOM 507 N GLN A 35 11.968 -2.345 9.501 1.00 0.00 N ATOM 508 CA GLN A 35 13.310 -1.814 9.244 1.00 0.00 C ATOM 509 C GLN A 35 13.586 -0.566 10.088 1.00 0.00 C ATOM 510 O GLN A 35 14.696 -0.380 10.594 1.00 0.00 O ATOM 511 CB GLN A 35 13.500 -1.492 7.745 1.00 0.00 C ATOM 512 CG GLN A 35 12.489 -0.495 7.171 1.00 0.00 C ATOM 513 CD GLN A 35 11.079 -1.057 7.099 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.885 -2.255 6.903 1.00 0.00 O ATOM 515 NE2 GLN A 35 10.087 -0.210 7.289 1.00 0.00 N ATOM 0 H GLN A 35 11.405 -2.474 8.660 1.00 0.00 H new ATOM 0 HA GLN A 35 14.025 -2.586 9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.505 -1.096 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.437 -2.420 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.485 0.405 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.807 -0.197 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.284 0.778 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.123 -0.543 7.276 1.00 0.00 H new ATOM 524 N GLU A 36 12.569 0.280 10.245 1.00 0.00 N ATOM 525 CA GLU A 36 12.685 1.488 11.056 1.00 0.00 C ATOM 526 C GLU A 36 11.297 2.010 11.420 1.00 0.00 C ATOM 527 O GLU A 36 10.306 1.658 10.770 1.00 0.00 O ATOM 528 CB GLU A 36 13.481 2.575 10.309 1.00 0.00 C ATOM 529 CG GLU A 36 13.899 3.744 11.199 1.00 0.00 C ATOM 530 CD GLU A 36 14.585 4.870 10.439 1.00 0.00 C ATOM 531 OE1 GLU A 36 15.552 4.591 9.692 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.178 6.039 10.616 1.00 0.00 O ATOM 0 H GLU A 36 11.652 0.149 9.818 1.00 0.00 H new ATOM 0 HA GLU A 36 13.223 1.237 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.372 2.125 9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.877 2.954 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.017 4.141 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.571 3.378 11.975 1.00 0.00 H new ATOM 539 N GLY A 37 11.229 2.835 12.461 1.00 0.00 N ATOM 540 CA GLY A 37 9.967 3.414 12.885 1.00 0.00 C ATOM 541 C GLY A 37 9.110 2.417 13.639 1.00 0.00 C ATOM 542 O GLY A 37 8.970 2.507 14.860 1.00 0.00 O ATOM 0 H GLY A 37 12.033 3.114 13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.160 4.279 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.422 3.774 12.012 1.00 0.00 H new ATOM 546 N GLY A 38 8.553 1.454 12.912 1.00 0.00 N ATOM 547 CA GLY A 38 7.724 0.433 13.527 1.00 0.00 C ATOM 548 C GLY A 38 6.404 0.978 14.032 1.00 0.00 C ATOM 549 O GLY A 38 5.840 0.459 14.995 1.00 0.00 O ATOM 0 H GLY A 38 8.662 1.362 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.532 -0.359 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.267 -0.019 14.357 1.00 0.00 H new ATOM 553 N GLY A 39 5.907 2.020 13.377 1.00 0.00 N ATOM 554 CA GLY A 39 4.645 2.614 13.773 1.00 0.00 C ATOM 555 C GLY A 39 4.232 3.744 12.856 1.00 0.00 C ATOM 556 O GLY A 39 3.308 3.599 12.054 1.00 0.00 O ATOM 0 H GLY A 39 6.357 2.465 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.870 1.848 13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.726 2.988 14.794 1.00 0.00 H new ATOM 560 N ILE A 40 4.930 4.870 12.961 1.00 0.00 N ATOM 561 CA ILE A 40 4.594 6.059 12.185 1.00 0.00 C ATOM 562 C ILE A 40 5.377 6.084 10.872 1.00 0.00 C ATOM 563 O ILE A 40 6.581 6.351 10.862 1.00 0.00 O ATOM 564 CB ILE A 40 4.873 7.371 12.978 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.066 7.421 14.295 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.557 8.594 12.114 1.00 0.00 C ATOM 567 CD1 ILE A 40 4.557 6.474 15.372 1.00 0.00 C ATOM 0 H ILE A 40 5.734 4.984 13.578 1.00 0.00 H new ATOM 0 HA ILE A 40 3.526 6.009 11.974 1.00 0.00 H new ATOM 0 HB ILE A 40 5.932 7.383 13.236 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.094 8.439 14.684 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.023 7.192 14.076 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.757 9.502 12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.182 8.580 11.221 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.507 8.572 11.823 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.932 6.577 16.259 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.503 5.448 15.007 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.590 6.715 15.625 1.00 0.00 H new ATOM 579 N SER A 41 4.698 5.756 9.776 1.00 0.00 N ATOM 580 CA SER A 41 5.273 5.883 8.441 1.00 0.00 C ATOM 581 C SER A 41 4.181 6.252 7.440 1.00 0.00 C ATOM 582 O SER A 41 3.142 5.591 7.385 1.00 0.00 O ATOM 583 CB SER A 41 5.956 4.572 8.033 1.00 0.00 C ATOM 584 OG SER A 41 6.934 4.190 8.990 1.00 0.00 O ATOM 0 H SER A 41 3.743 5.398 9.788 1.00 0.00 H new ATOM 0 HA SER A 41 6.023 6.674 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.210 3.784 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.424 4.690 7.056 1.00 0.00 H new ATOM 0 HG SER A 41 7.812 4.139 8.558 1.00 0.00 H new ATOM 590 N ARG A 42 4.394 7.317 6.666 1.00 0.00 N ATOM 591 CA ARG A 42 3.405 7.731 5.673 1.00 0.00 C ATOM 592 C ARG A 42 3.711 7.081 4.325 1.00 0.00 C ATOM 593 O ARG A 42 4.771 7.306 3.732 1.00 0.00 O ATOM 594 CB ARG A 42 3.320 9.269 5.537 1.00 0.00 C ATOM 595 CG ARG A 42 4.547 9.947 4.920 1.00 0.00 C ATOM 596 CD ARG A 42 4.251 11.395 4.526 1.00 0.00 C ATOM 597 NE ARG A 42 5.371 12.012 3.808 1.00 0.00 N ATOM 598 CZ ARG A 42 5.257 12.705 2.667 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.067 12.905 2.113 1.00 0.00 N ATOM 600 NH2 ARG A 42 6.335 13.208 2.083 1.00 0.00 N ATOM 0 H ARG A 42 5.230 7.900 6.706 1.00 0.00 H new ATOM 0 HA ARG A 42 2.429 7.392 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.448 9.515 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.151 9.695 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.372 9.924 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.869 9.388 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.359 11.425 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.031 11.976 5.422 1.00 0.00 H new ATOM 0 HE ARG A 42 6.304 11.906 4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.229 12.530 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.991 13.434 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.254 13.068 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.245 13.735 1.214 1.00 0.00 H new ATOM 614 N VAL A 43 2.792 6.247 3.860 1.00 0.00 N ATOM 615 CA VAL A 43 2.938 5.585 2.574 1.00 0.00 C ATOM 616 C VAL A 43 2.205 6.383 1.501 1.00 0.00 C ATOM 617 O VAL A 43 1.034 6.738 1.668 1.00 0.00 O ATOM 618 CB VAL A 43 2.388 4.138 2.612 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.657 3.420 1.290 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.983 3.361 3.786 1.00 0.00 C ATOM 0 H VAL A 43 1.933 6.013 4.358 1.00 0.00 H new ATOM 0 HA VAL A 43 4.002 5.535 2.341 1.00 0.00 H new ATOM 0 HB VAL A 43 1.309 4.189 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.262 2.405 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.170 3.959 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.731 3.383 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.582 2.347 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.067 3.322 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.724 3.859 4.720 1.00 0.00 H new ATOM 630 N GLY A 44 2.905 6.674 0.412 1.00 0.00 N ATOM 631 CA GLY A 44 2.332 7.456 -0.663 1.00 0.00 C ATOM 632 C GLY A 44 2.385 6.719 -1.983 1.00 0.00 C ATOM 633 O GLY A 44 3.462 6.527 -2.552 1.00 0.00 O ATOM 0 H GLY A 44 3.868 6.378 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.297 7.699 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.869 8.400 -0.752 1.00 0.00 H new ATOM 637 N VAL A 45 1.225 6.283 -2.460 1.00 0.00 N ATOM 638 CA VAL A 45 1.126 5.641 -3.765 1.00 0.00 C ATOM 639 C VAL A 45 0.809 6.686 -4.832 1.00 0.00 C ATOM 640 O VAL A 45 -0.095 7.515 -4.661 1.00 0.00 O ATOM 641 CB VAL A 45 0.055 4.516 -3.784 1.00 0.00 C ATOM 642 CG1 VAL A 45 -1.314 5.048 -3.369 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.014 3.858 -5.165 1.00 0.00 C ATOM 0 H VAL A 45 0.339 6.363 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 45 2.088 5.176 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 45 0.352 3.760 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.042 4.237 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.256 5.454 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.624 5.833 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.770 3.073 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.277 4.607 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.956 3.425 -5.411 1.00 0.00 H new ATOM 653 N CYS A 46 1.568 6.661 -5.918 1.00 0.00 N ATOM 654 CA CYS A 46 1.392 7.614 -7.004 1.00 0.00 C ATOM 655 C CYS A 46 1.354 6.901 -8.350 1.00 0.00 C ATOM 656 O CYS A 46 2.209 6.063 -8.646 1.00 0.00 O ATOM 657 CB CYS A 46 2.526 8.644 -6.977 1.00 0.00 C ATOM 658 SG CYS A 46 4.181 7.923 -6.979 1.00 0.00 S ATOM 0 H CYS A 46 2.317 5.986 -6.071 1.00 0.00 H new ATOM 0 HA CYS A 46 0.440 8.127 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.427 9.300 -7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.415 9.267 -6.090 1.00 0.00 H new ATOM 0 HG CYS A 46 4.388 7.310 -5.852 1.00 0.00 H new ATOM 664 N LYS A 47 0.341 7.219 -9.151 1.00 0.00 N ATOM 665 CA LYS A 47 0.234 6.691 -10.505 1.00 0.00 C ATOM 666 C LYS A 47 0.894 7.666 -11.472 1.00 0.00 C ATOM 667 O LYS A 47 0.242 8.565 -12.006 1.00 0.00 O ATOM 668 CB LYS A 47 -1.239 6.465 -10.885 1.00 0.00 C ATOM 669 CG LYS A 47 -1.448 5.819 -12.255 1.00 0.00 C ATOM 670 CD LYS A 47 -2.933 5.677 -12.582 1.00 0.00 C ATOM 671 CE LYS A 47 -3.164 4.969 -13.913 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.611 4.805 -14.210 1.00 0.00 N ATOM 0 H LYS A 47 -0.420 7.843 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 47 0.742 5.728 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.705 5.836 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.757 7.424 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.961 6.422 -13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.974 4.837 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.427 5.120 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.393 6.665 -12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.691 5.538 -14.714 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.685 3.990 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.768 3.889 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.154 4.840 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.925 5.571 -14.839 1.00 0.00 H new ATOM 686 N VAL A 48 2.199 7.517 -11.648 1.00 0.00 N ATOM 687 CA VAL A 48 2.962 8.393 -12.525 1.00 0.00 C ATOM 688 C VAL A 48 2.794 7.967 -13.978 1.00 0.00 C ATOM 689 O VAL A 48 2.413 6.828 -14.264 1.00 0.00 O ATOM 690 CB VAL A 48 4.469 8.407 -12.157 1.00 0.00 C ATOM 691 CG1 VAL A 48 4.668 8.877 -10.716 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.103 7.034 -12.374 1.00 0.00 C ATOM 0 H VAL A 48 2.754 6.793 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 48 2.572 9.402 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 48 4.970 9.113 -12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.732 8.880 -10.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.268 9.885 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.146 8.202 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.159 7.075 -12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.599 6.298 -11.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.004 6.749 -13.421 1.00 0.00 H new ATOM 702 N MET A 49 3.069 8.888 -14.889 1.00 0.00 N ATOM 703 CA MET A 49 2.954 8.622 -16.316 1.00 0.00 C ATOM 704 C MET A 49 3.949 9.482 -17.082 1.00 0.00 C ATOM 705 O MET A 49 4.384 10.527 -16.590 1.00 0.00 O ATOM 706 CB MET A 49 1.529 8.913 -16.809 1.00 0.00 C ATOM 707 CG MET A 49 1.095 10.362 -16.621 1.00 0.00 C ATOM 708 SD MET A 49 -0.526 10.708 -17.334 1.00 0.00 S ATOM 709 CE MET A 49 -0.214 10.357 -19.064 1.00 0.00 C ATOM 0 H MET A 49 3.376 9.834 -14.663 1.00 0.00 H new ATOM 0 HA MET A 49 3.173 7.569 -16.491 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.462 8.658 -17.867 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.832 8.263 -16.279 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.075 10.595 -15.556 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.835 11.020 -17.077 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.951 10.874 -19.679 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.786 10.700 -19.330 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.287 9.283 -19.236 1.00 0.00 H new ATOM 828 N GLY A 58 2.631 4.031 -14.393 1.00 0.00 N ATOM 829 CA GLY A 58 3.486 3.386 -13.414 1.00 0.00 C ATOM 830 C GLY A 58 3.065 3.747 -12.003 1.00 0.00 C ATOM 831 O GLY A 58 2.778 4.908 -11.720 1.00 0.00 O ATOM 0 HA2 GLY A 58 3.443 2.305 -13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.521 3.686 -13.576 1.00 0.00 H new ATOM 835 N PHE A 59 3.015 2.759 -11.117 1.00 0.00 N ATOM 836 CA PHE A 59 2.561 2.981 -9.743 1.00 0.00 C ATOM 837 C PHE A 59 3.743 2.932 -8.779 1.00 0.00 C ATOM 838 O PHE A 59 4.193 1.856 -8.395 1.00 0.00 O ATOM 839 CB PHE A 59 1.517 1.924 -9.347 1.00 0.00 C ATOM 840 CG PHE A 59 0.286 1.920 -10.221 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.258 1.193 -11.405 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.843 2.641 -9.859 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.866 1.190 -12.208 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.971 2.640 -10.659 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.981 1.913 -11.834 1.00 0.00 C ATOM 0 H PHE A 59 3.282 1.796 -11.322 1.00 0.00 H new ATOM 0 HA PHE A 59 2.102 3.968 -9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.980 0.938 -9.385 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.216 2.095 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.126 0.623 -11.701 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.841 3.210 -8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.872 0.623 -13.127 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.843 3.206 -10.366 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.861 1.910 -12.460 1.00 0.00 H new ATOM 855 N LEU A 60 4.261 4.095 -8.399 1.00 0.00 N ATOM 856 CA LEU A 60 5.387 4.150 -7.474 1.00 0.00 C ATOM 857 C LEU A 60 4.883 3.922 -6.050 1.00 0.00 C ATOM 858 O LEU A 60 4.229 4.793 -5.466 1.00 0.00 O ATOM 859 CB LEU A 60 6.120 5.507 -7.570 1.00 0.00 C ATOM 860 CG LEU A 60 7.639 5.490 -7.275 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.206 6.909 -7.274 1.00 0.00 C ATOM 862 CD2 LEU A 60 7.950 4.789 -5.951 1.00 0.00 C ATOM 0 H LEU A 60 3.923 5.004 -8.714 1.00 0.00 H new ATOM 0 HA LEU A 60 6.098 3.368 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.971 5.906 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.645 6.202 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 60 8.119 4.922 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.275 6.873 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.042 7.367 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.706 7.500 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.026 4.797 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.448 5.311 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.597 3.759 -5.993 1.00 0.00 H new ATOM 874 N ILE A 61 5.153 2.737 -5.510 1.00 0.00 N ATOM 875 CA ILE A 61 4.844 2.450 -4.119 1.00 0.00 C ATOM 876 C ILE A 61 5.985 2.958 -3.246 1.00 0.00 C ATOM 877 O ILE A 61 7.016 2.292 -3.103 1.00 0.00 O ATOM 878 CB ILE A 61 4.624 0.934 -3.867 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.499 0.397 -4.769 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.308 0.669 -2.393 1.00 0.00 C ATOM 881 CD1 ILE A 61 2.157 1.067 -4.549 1.00 0.00 C ATOM 0 H ILE A 61 5.584 1.963 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 61 3.912 2.957 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 61 5.546 0.408 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.791 0.526 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.391 -0.674 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.158 -0.400 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.139 1.011 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.402 1.207 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.418 0.632 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.840 0.917 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.246 2.135 -4.749 1.00 0.00 H new ATOM 893 N HIS A 62 5.824 4.159 -2.707 1.00 0.00 N ATOM 894 CA HIS A 62 6.880 4.791 -1.933 1.00 0.00 C ATOM 895 C HIS A 62 6.408 5.050 -0.506 1.00 0.00 C ATOM 896 O HIS A 62 5.215 5.247 -0.266 1.00 0.00 O ATOM 897 CB HIS A 62 7.312 6.102 -2.605 1.00 0.00 C ATOM 898 CG HIS A 62 8.683 6.550 -2.200 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.940 7.430 -1.174 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.893 6.200 -2.704 1.00 0.00 C ATOM 901 CE1 HIS A 62 10.266 7.582 -1.089 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.891 6.857 -1.993 1.00 0.00 N ATOM 0 H HIS A 62 4.972 4.714 -2.792 1.00 0.00 H new ATOM 0 HA HIS A 62 7.739 4.121 -1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.284 5.974 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.594 6.883 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.055 5.519 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.761 8.218 -0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.898 6.791 -2.141 1.00 0.00 H new ATOM 910 N GLY A 63 7.344 5.045 0.434 1.00 0.00 N ATOM 911 CA GLY A 63 7.011 5.255 1.830 1.00 0.00 C ATOM 912 C GLY A 63 8.053 6.090 2.545 1.00 0.00 C ATOM 913 O GLY A 63 9.242 5.751 2.545 1.00 0.00 O ATOM 0 H GLY A 63 8.337 4.898 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.041 5.748 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.916 4.290 2.329 1.00 0.00 H new ATOM 917 N GLU A 64 7.609 7.190 3.143 1.00 0.00 N ATOM 918 CA GLU A 64 8.481 8.065 3.914 1.00 0.00 C ATOM 919 C GLU A 64 8.319 7.758 5.397 1.00 0.00 C ATOM 920 O GLU A 64 7.246 7.330 5.832 1.00 0.00 O ATOM 921 CB GLU A 64 8.141 9.539 3.648 1.00 0.00 C ATOM 922 CG GLU A 64 9.033 10.527 4.401 1.00 0.00 C ATOM 923 CD GLU A 64 8.507 11.953 4.346 1.00 0.00 C ATOM 924 OE1 GLU A 64 8.758 12.649 3.344 1.00 0.00 O ATOM 925 OE2 GLU A 64 7.813 12.373 5.297 1.00 0.00 O ATOM 0 H GLU A 64 6.637 7.499 3.107 1.00 0.00 H new ATOM 0 HA GLU A 64 9.514 7.890 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.223 9.733 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.102 9.718 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.116 10.215 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.037 10.498 3.979 1.00 0.00 H new ATOM 932 N ARG A 65 9.387 7.963 6.163 1.00 0.00 N ATOM 933 CA ARG A 65 9.336 7.789 7.610 1.00 0.00 C ATOM 934 C ARG A 65 8.262 8.717 8.189 1.00 0.00 C ATOM 935 O ARG A 65 7.186 8.262 8.571 1.00 0.00 O ATOM 936 CB ARG A 65 10.722 8.080 8.222 1.00 0.00 C ATOM 937 CG ARG A 65 10.973 7.441 9.594 1.00 0.00 C ATOM 938 CD ARG A 65 10.122 8.057 10.704 1.00 0.00 C ATOM 939 NE ARG A 65 10.265 9.515 10.777 1.00 0.00 N ATOM 940 CZ ARG A 65 11.393 10.154 11.106 1.00 0.00 C ATOM 941 NH1 ARG A 65 12.492 9.475 11.423 1.00 0.00 N ATOM 942 NH2 ARG A 65 11.407 11.478 11.126 1.00 0.00 N ATOM 0 H ARG A 65 10.298 8.250 5.805 1.00 0.00 H new ATOM 0 HA ARG A 65 9.074 6.760 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.488 7.731 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.843 9.159 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.765 6.373 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.027 7.547 9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.075 7.806 10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.406 7.619 11.661 1.00 0.00 H new ATOM 0 HE ARG A 65 9.445 10.082 10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.481 8.455 11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.346 9.974 11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.563 12.001 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.262 11.975 11.376 1.00 0.00 H new ATOM 956 N GLN A 66 8.564 10.018 8.220 1.00 0.00 N ATOM 957 CA GLN A 66 7.616 11.051 8.654 1.00 0.00 C ATOM 958 C GLN A 66 8.348 12.378 8.821 1.00 0.00 C ATOM 959 O GLN A 66 9.415 12.425 9.445 1.00 0.00 O ATOM 960 CB GLN A 66 6.918 10.677 9.977 1.00 0.00 C ATOM 961 CG GLN A 66 5.841 11.670 10.415 1.00 0.00 C ATOM 962 CD GLN A 66 4.750 11.851 9.370 1.00 0.00 C ATOM 963 OE1 GLN A 66 4.841 12.724 8.508 1.00 0.00 O ATOM 964 NE2 GLN A 66 3.709 11.034 9.439 1.00 0.00 N ATOM 0 H GLN A 66 9.474 10.387 7.945 1.00 0.00 H new ATOM 0 HA GLN A 66 6.847 11.138 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.467 9.691 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.669 10.601 10.763 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.392 11.326 11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.304 12.635 10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.667 10.321 10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.949 11.118 8.763 1.00 0.00 H new ATOM 973 N LYS A 67 7.769 13.441 8.260 1.00 0.00 N ATOM 974 CA LYS A 67 8.338 14.790 8.313 1.00 0.00 C ATOM 975 C LYS A 67 9.626 14.871 7.488 1.00 0.00 C ATOM 976 O LYS A 67 9.668 15.544 6.456 1.00 0.00 O ATOM 977 CB LYS A 67 8.580 15.236 9.766 1.00 0.00 C ATOM 978 CG LYS A 67 9.132 16.656 9.886 1.00 0.00 C ATOM 979 CD LYS A 67 9.187 17.135 11.336 1.00 0.00 C ATOM 980 CE LYS A 67 10.097 16.268 12.196 1.00 0.00 C ATOM 981 NZ LYS A 67 10.167 16.764 13.596 1.00 0.00 N ATOM 0 H LYS A 67 6.886 13.390 7.752 1.00 0.00 H new ATOM 0 HA LYS A 67 7.614 15.477 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.642 15.172 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.276 14.543 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.133 16.692 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.510 17.336 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.539 18.166 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.181 17.131 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.732 15.241 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.098 16.252 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.795 16.149 14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.539 17.735 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.215 16.755 14.015 1.00 0.00 H new ATOM 995 N ASP A 68 10.668 14.190 7.949 1.00 0.00 N ATOM 996 CA ASP A 68 11.939 14.131 7.230 1.00 0.00 C ATOM 997 C ASP A 68 11.813 13.215 6.016 1.00 0.00 C ATOM 998 O ASP A 68 11.358 12.074 6.142 1.00 0.00 O ATOM 999 CB ASP A 68 13.052 13.627 8.160 1.00 0.00 C ATOM 1000 CG ASP A 68 14.386 13.445 7.444 1.00 0.00 C ATOM 1001 OD1 ASP A 68 14.929 14.446 6.925 1.00 0.00 O ATOM 1002 OD2 ASP A 68 14.913 12.311 7.420 1.00 0.00 O ATOM 0 H ASP A 68 10.659 13.666 8.824 1.00 0.00 H new ATOM 0 HA ASP A 68 12.196 15.134 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.179 14.332 8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.749 12.677 8.600 1.00 0.00 H new ATOM 1007 N LYS A 69 12.212 13.718 4.847 1.00 0.00 N ATOM 1008 CA LYS A 69 12.134 12.945 3.604 1.00 0.00 C ATOM 1009 C LYS A 69 13.108 11.768 3.646 1.00 0.00 C ATOM 1010 O LYS A 69 14.198 11.821 3.065 1.00 0.00 O ATOM 1011 CB LYS A 69 12.422 13.825 2.368 1.00 0.00 C ATOM 1012 CG LYS A 69 11.350 14.871 2.055 1.00 0.00 C ATOM 1013 CD LYS A 69 11.356 16.032 3.050 1.00 0.00 C ATOM 1014 CE LYS A 69 10.337 17.104 2.675 1.00 0.00 C ATOM 1015 NZ LYS A 69 10.351 18.243 3.630 1.00 0.00 N ATOM 0 H LYS A 69 12.593 14.657 4.734 1.00 0.00 H new ATOM 0 HA LYS A 69 11.116 12.565 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.373 14.335 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.541 13.177 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.508 15.259 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.369 14.395 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.137 15.656 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.352 16.474 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.549 17.470 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.340 16.664 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.645 18.949 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.124 17.898 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.295 18.680 3.635 1.00 0.00 H new ATOM 1029 N LEU A 70 12.719 10.717 4.354 1.00 0.00 N ATOM 1030 CA LEU A 70 13.546 9.526 4.506 1.00 0.00 C ATOM 1031 C LEU A 70 12.854 8.322 3.872 1.00 0.00 C ATOM 1032 O LEU A 70 11.767 7.925 4.301 1.00 0.00 O ATOM 1033 CB LEU A 70 13.820 9.261 5.995 1.00 0.00 C ATOM 1034 CG LEU A 70 14.733 8.060 6.295 1.00 0.00 C ATOM 1035 CD1 LEU A 70 16.119 8.262 5.686 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.832 7.824 7.801 1.00 0.00 C ATOM 0 H LEU A 70 11.823 10.665 4.839 1.00 0.00 H new ATOM 0 HA LEU A 70 14.497 9.689 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.269 10.154 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.867 9.106 6.500 1.00 0.00 H new ATOM 0 HG LEU A 70 14.291 7.175 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.745 7.399 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.029 8.372 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.573 9.160 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.482 6.970 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.245 8.711 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.839 7.622 8.204 1.00 0.00 H new ATOM 1048 N VAL A 71 13.481 7.761 2.844 1.00 0.00 N ATOM 1049 CA VAL A 71 12.933 6.609 2.141 1.00 0.00 C ATOM 1050 C VAL A 71 13.051 5.353 3.003 1.00 0.00 C ATOM 1051 O VAL A 71 14.133 4.773 3.127 1.00 0.00 O ATOM 1052 CB VAL A 71 13.660 6.371 0.791 1.00 0.00 C ATOM 1053 CG1 VAL A 71 13.036 5.200 0.031 1.00 0.00 C ATOM 1054 CG2 VAL A 71 13.653 7.640 -0.061 1.00 0.00 C ATOM 0 H VAL A 71 14.375 8.089 2.478 1.00 0.00 H new ATOM 0 HA VAL A 71 11.883 6.819 1.940 1.00 0.00 H new ATOM 0 HB VAL A 71 14.697 6.115 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.564 5.055 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.112 4.294 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.987 5.415 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.168 7.449 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.624 7.936 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.162 8.441 0.475 1.00 0.00 H new ATOM 1064 N VAL A 72 11.947 4.957 3.625 1.00 0.00 N ATOM 1065 CA VAL A 72 11.915 3.742 4.438 1.00 0.00 C ATOM 1066 C VAL A 72 11.367 2.567 3.634 1.00 0.00 C ATOM 1067 O VAL A 72 11.500 1.411 4.037 1.00 0.00 O ATOM 1068 CB VAL A 72 11.074 3.929 5.726 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.711 4.979 6.635 1.00 0.00 C ATOM 1070 CG2 VAL A 72 9.632 4.304 5.388 1.00 0.00 C ATOM 0 H VAL A 72 11.060 5.459 3.583 1.00 0.00 H new ATOM 0 HA VAL A 72 12.943 3.530 4.732 1.00 0.00 H new ATOM 0 HB VAL A 72 11.056 2.980 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.106 5.097 7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.715 4.659 6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.766 5.931 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.063 4.429 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.621 5.237 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.181 3.513 4.788 1.00 0.00 H new ATOM 1080 N LEU A 73 10.750 2.874 2.495 1.00 0.00 N ATOM 1081 CA LEU A 73 10.222 1.849 1.602 1.00 0.00 C ATOM 1082 C LEU A 73 10.097 2.424 0.191 1.00 0.00 C ATOM 1083 O LEU A 73 9.558 3.516 0.005 1.00 0.00 O ATOM 1084 CB LEU A 73 8.853 1.343 2.116 1.00 0.00 C ATOM 1085 CG LEU A 73 8.485 -0.113 1.753 1.00 0.00 C ATOM 1086 CD1 LEU A 73 7.169 -0.518 2.412 1.00 0.00 C ATOM 1087 CD2 LEU A 73 8.403 -0.313 0.240 1.00 0.00 C ATOM 0 H LEU A 73 10.604 3.829 2.169 1.00 0.00 H new ATOM 0 HA LEU A 73 10.905 1.000 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.837 1.440 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.076 2.000 1.726 1.00 0.00 H new ATOM 0 HG LEU A 73 9.281 -0.754 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.929 -1.547 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.265 -0.439 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.372 0.142 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.142 -1.349 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.641 0.347 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.368 -0.080 -0.211 1.00 0.00 H new ATOM 1099 N GLU A 74 10.619 1.697 -0.792 1.00 0.00 N ATOM 1100 CA GLU A 74 10.530 2.097 -2.193 1.00 0.00 C ATOM 1101 C GLU A 74 10.397 0.851 -3.059 1.00 0.00 C ATOM 1102 O GLU A 74 11.193 -0.087 -2.934 1.00 0.00 O ATOM 1103 CB GLU A 74 11.770 2.924 -2.592 1.00 0.00 C ATOM 1104 CG GLU A 74 11.754 3.472 -4.025 1.00 0.00 C ATOM 1105 CD GLU A 74 12.163 2.446 -5.076 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.324 1.986 -5.036 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.332 2.092 -5.941 1.00 0.00 O ATOM 0 H GLU A 74 11.114 0.818 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 74 9.652 2.725 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.867 3.761 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.657 2.303 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.752 3.835 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.425 4.329 -4.085 1.00 0.00 H new ATOM 1114 N CYS A 75 9.374 0.831 -3.906 1.00 0.00 N ATOM 1115 CA CYS A 75 9.157 -0.270 -4.830 1.00 0.00 C ATOM 1116 C CYS A 75 8.238 0.179 -5.966 1.00 0.00 C ATOM 1117 O CYS A 75 7.010 0.131 -5.858 1.00 0.00 O ATOM 1118 CB CYS A 75 8.583 -1.484 -4.083 1.00 0.00 C ATOM 1119 SG CYS A 75 8.413 -2.977 -5.087 1.00 0.00 S ATOM 0 H CYS A 75 8.677 1.573 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 75 10.109 -0.571 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 75 9.226 -1.707 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.605 -1.218 -3.683 1.00 0.00 H new ATOM 0 HG CYS A 75 8.908 -3.992 -4.443 1.00 0.00 H new ATOM 1125 N TYR A 76 8.852 0.673 -7.036 1.00 0.00 N ATOM 1126 CA TYR A 76 8.123 1.140 -8.212 1.00 0.00 C ATOM 1127 C TYR A 76 7.442 -0.028 -8.928 1.00 0.00 C ATOM 1128 O TYR A 76 8.108 -0.957 -9.391 1.00 0.00 O ATOM 1129 CB TYR A 76 9.094 1.861 -9.164 1.00 0.00 C ATOM 1130 CG TYR A 76 8.451 2.395 -10.437 1.00 0.00 C ATOM 1131 CD1 TYR A 76 7.808 3.629 -10.452 1.00 0.00 C ATOM 1132 CD2 TYR A 76 8.496 1.668 -11.623 1.00 0.00 C ATOM 1133 CE1 TYR A 76 7.229 4.119 -11.607 1.00 0.00 C ATOM 1134 CE2 TYR A 76 7.918 2.154 -12.781 1.00 0.00 C ATOM 1135 CZ TYR A 76 7.287 3.378 -12.767 1.00 0.00 C ATOM 1136 OH TYR A 76 6.713 3.866 -13.918 1.00 0.00 O ATOM 0 H TYR A 76 9.865 0.761 -7.114 1.00 0.00 H new ATOM 0 HA TYR A 76 7.347 1.836 -7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.557 2.691 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.893 1.172 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.761 4.214 -9.545 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.991 0.708 -11.639 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.733 5.078 -11.600 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.961 1.576 -13.693 1.00 0.00 H new ATOM 0 HH TYR A 76 6.842 3.223 -14.646 1.00 0.00 H new ATOM 1146 N VAL A 77 6.115 0.014 -9.006 1.00 0.00 N ATOM 1147 CA VAL A 77 5.358 -0.996 -9.735 1.00 0.00 C ATOM 1148 C VAL A 77 5.456 -0.722 -11.228 1.00 0.00 C ATOM 1149 O VAL A 77 4.696 0.081 -11.780 1.00 0.00 O ATOM 1150 CB VAL A 77 3.862 -1.035 -9.327 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.112 -2.131 -10.088 1.00 0.00 C ATOM 1152 CG2 VAL A 77 3.713 -1.226 -7.820 1.00 0.00 C ATOM 0 H VAL A 77 5.542 0.738 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 77 5.793 -1.964 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 77 3.419 -0.076 -9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.066 -2.136 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.176 -1.939 -11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.559 -3.100 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.655 -1.250 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.181 -2.165 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.196 -0.400 -7.299 1.00 0.00 H new ATOM 1162 N ARG A 78 6.410 -1.376 -11.872 1.00 0.00 N ATOM 1163 CA ARG A 78 6.621 -1.238 -13.310 1.00 0.00 C ATOM 1164 C ARG A 78 5.598 -2.075 -14.092 1.00 0.00 C ATOM 1165 O ARG A 78 5.910 -2.610 -15.156 1.00 0.00 O ATOM 1166 CB ARG A 78 8.042 -1.703 -13.660 1.00 0.00 C ATOM 1167 CG ARG A 78 8.293 -3.163 -13.291 1.00 0.00 C ATOM 1168 CD ARG A 78 9.627 -3.679 -13.809 1.00 0.00 C ATOM 1169 NE ARG A 78 9.745 -5.125 -13.618 1.00 0.00 N ATOM 1170 CZ ARG A 78 10.193 -5.973 -14.544 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.633 -5.519 -15.714 1.00 0.00 N ATOM 1172 NH2 ARG A 78 10.191 -7.275 -14.296 1.00 0.00 N ATOM 0 H ARG A 78 7.060 -2.017 -11.417 1.00 0.00 H new ATOM 0 HA ARG A 78 6.494 -0.191 -13.585 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.211 -1.569 -14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.764 -1.072 -13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.263 -3.270 -12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.489 -3.779 -13.694 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.726 -3.440 -14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.442 -3.173 -13.291 1.00 0.00 H new ATOM 0 HE ARG A 78 9.466 -5.510 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.629 -4.517 -15.907 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.975 -6.172 -16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.848 -7.623 -13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.532 -7.929 -15.000 1.00 0.00 H new ATOM 1186 N LYS A 79 4.371 -2.149 -13.567 1.00 0.00 N ATOM 1187 CA LYS A 79 3.346 -3.084 -14.049 1.00 0.00 C ATOM 1188 C LYS A 79 3.738 -4.529 -13.730 1.00 0.00 C ATOM 1189 O LYS A 79 3.138 -5.476 -14.238 1.00 0.00 O ATOM 1190 CB LYS A 79 3.066 -2.924 -15.558 1.00 0.00 C ATOM 1191 CG LYS A 79 2.337 -1.633 -15.931 1.00 0.00 C ATOM 1192 CD LYS A 79 1.838 -1.677 -17.375 1.00 0.00 C ATOM 1193 CE LYS A 79 1.008 -0.451 -17.740 1.00 0.00 C ATOM 1194 NZ LYS A 79 1.823 0.790 -17.794 1.00 0.00 N ATOM 0 H LYS A 79 4.059 -1.561 -12.794 1.00 0.00 H new ATOM 0 HA LYS A 79 2.423 -2.841 -13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.013 -2.961 -16.097 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.473 -3.773 -15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.494 -1.480 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.007 -0.783 -15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.691 -1.749 -18.049 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.239 -2.575 -17.522 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.533 -0.612 -18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.209 -0.326 -17.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.214 1.595 -18.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.256 0.961 -16.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.570 0.684 -18.510 1.00 0.00 H new ATOM 1208 N ASP A 80 4.735 -4.685 -12.860 1.00 0.00 N ATOM 1209 CA ASP A 80 5.201 -6.000 -12.422 1.00 0.00 C ATOM 1210 C ASP A 80 5.400 -6.003 -10.911 1.00 0.00 C ATOM 1211 O ASP A 80 6.423 -5.534 -10.412 1.00 0.00 O ATOM 1212 CB ASP A 80 6.509 -6.380 -13.138 1.00 0.00 C ATOM 1213 CG ASP A 80 7.151 -7.646 -12.576 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.469 -8.693 -12.525 1.00 0.00 O ATOM 1215 OD2 ASP A 80 8.349 -7.598 -12.201 1.00 0.00 O ATOM 0 H ASP A 80 5.241 -3.906 -12.440 1.00 0.00 H new ATOM 0 HA ASP A 80 4.446 -6.742 -12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.307 -6.522 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.215 -5.554 -13.055 1.00 0.00 H new ATOM 1220 N LEU A 81 4.386 -6.490 -10.196 1.00 0.00 N ATOM 1221 CA LEU A 81 4.414 -6.572 -8.736 1.00 0.00 C ATOM 1222 C LEU A 81 3.118 -7.225 -8.250 1.00 0.00 C ATOM 1223 O LEU A 81 2.038 -6.922 -8.762 1.00 0.00 O ATOM 1224 CB LEU A 81 4.601 -5.166 -8.121 1.00 0.00 C ATOM 1225 CG LEU A 81 4.980 -5.123 -6.625 1.00 0.00 C ATOM 1226 CD1 LEU A 81 5.598 -3.776 -6.261 1.00 0.00 C ATOM 1227 CD2 LEU A 81 3.768 -5.394 -5.742 1.00 0.00 C ATOM 0 H LEU A 81 3.523 -6.839 -10.612 1.00 0.00 H new ATOM 0 HA LEU A 81 5.258 -7.183 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.374 -4.645 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.675 -4.607 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 81 5.717 -5.907 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.857 -3.769 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.497 -3.616 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.882 -2.980 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.066 -5.357 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.005 -4.638 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.365 -6.381 -5.970 1.00 0.00 H new ATOM 1239 N VAL A 82 3.228 -8.128 -7.274 1.00 0.00 N ATOM 1240 CA VAL A 82 2.074 -8.878 -6.774 1.00 0.00 C ATOM 1241 C VAL A 82 1.944 -8.740 -5.256 1.00 0.00 C ATOM 1242 O VAL A 82 2.876 -9.066 -4.515 1.00 0.00 O ATOM 1243 CB VAL A 82 2.185 -10.383 -7.135 1.00 0.00 C ATOM 1244 CG1 VAL A 82 0.926 -11.145 -6.716 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.464 -10.564 -8.627 1.00 0.00 C ATOM 0 H VAL A 82 4.108 -8.358 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 82 1.189 -8.458 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 82 3.026 -10.800 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.032 -12.197 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.788 -11.055 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.060 -10.727 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.538 -11.627 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.652 -10.123 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.402 -10.071 -8.884 1.00 0.00 H new ATOM 1255 N TYR A 83 0.786 -8.247 -4.805 1.00 0.00 N ATOM 1256 CA TYR A 83 0.490 -8.123 -3.373 1.00 0.00 C ATOM 1257 C TYR A 83 -0.055 -9.431 -2.806 1.00 0.00 C ATOM 1258 O TYR A 83 -0.338 -10.384 -3.545 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.527 -6.997 -3.112 1.00 0.00 C ATOM 1260 CG TYR A 83 0.068 -5.599 -3.049 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.805 -5.078 -4.105 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.131 -4.792 -1.931 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.327 -3.797 -4.047 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.390 -3.515 -1.867 1.00 0.00 C ATOM 1265 CZ TYR A 83 1.118 -3.023 -2.928 1.00 0.00 C ATOM 1266 OH TYR A 83 1.633 -1.749 -2.869 1.00 0.00 O ATOM 0 H TYR A 83 0.034 -7.925 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 83 1.428 -7.881 -2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.282 -7.020 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.039 -7.201 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.973 -5.681 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.704 -5.173 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.896 -3.406 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.228 -2.905 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 83 1.394 -1.339 -2.012 1.00 0.00 H new ATOM 1276 N THR A 84 -0.210 -9.457 -1.489 1.00 0.00 N ATOM 1277 CA THR A 84 -0.757 -10.601 -0.778 1.00 0.00 C ATOM 1278 C THR A 84 -1.398 -10.141 0.534 1.00 0.00 C ATOM 1279 O THR A 84 -0.703 -9.835 1.509 1.00 0.00 O ATOM 1280 CB THR A 84 0.335 -11.659 -0.478 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.933 -12.110 -1.703 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.247 -12.854 0.277 1.00 0.00 C ATOM 0 H THR A 84 0.043 -8.678 -0.881 1.00 0.00 H new ATOM 0 HA THR A 84 -1.511 -11.062 -1.417 1.00 0.00 H new ATOM 0 HB THR A 84 1.094 -11.190 0.149 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.623 -12.777 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.542 -13.580 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.672 -12.515 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.027 -13.320 -0.325 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.723 -10.050 0.538 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.469 -9.737 1.750 1.00 0.00 C ATOM 1292 C LYS A 85 -3.595 -11.007 2.587 1.00 0.00 C ATOM 1293 O LYS A 85 -4.490 -11.825 2.365 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.852 -9.152 1.384 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.641 -8.554 2.562 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.404 -9.605 3.373 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.444 -10.332 2.524 1.00 0.00 C ATOM 1298 NZ LYS A 85 -8.159 -11.381 3.298 1.00 0.00 N ATOM 0 H LYS A 85 -3.304 -10.189 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.944 -8.983 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.713 -8.378 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.452 -9.939 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.952 -8.026 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.347 -7.816 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.700 -10.329 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.897 -9.125 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.165 -9.611 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.955 -10.787 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.856 -11.850 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.475 -12.083 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.647 -10.944 4.106 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.664 -11.193 3.518 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.615 -12.409 4.326 1.00 0.00 C ATOM 1314 C ALA A 86 -3.562 -12.300 5.513 1.00 0.00 C ATOM 1315 O ALA A 86 -4.492 -13.096 5.658 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.188 -12.680 4.794 1.00 0.00 C ATOM 0 H ALA A 86 -1.932 -10.516 3.732 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.938 -13.248 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.169 -13.589 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.538 -12.804 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.836 -11.841 5.394 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.331 -11.293 6.346 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.146 -11.072 7.538 1.00 0.00 C ATOM 1324 C ASN A 87 -4.933 -9.772 7.374 1.00 0.00 C ATOM 1325 O ASN A 87 -4.516 -8.892 6.621 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.259 -10.995 8.795 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.283 -12.158 8.911 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -1.142 -12.073 8.449 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.715 -13.248 9.526 1.00 0.00 N ATOM 0 H ASN A 87 -2.582 -10.612 6.218 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.836 -11.907 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.700 -10.060 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.895 -10.973 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.098 -14.053 9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.665 -13.282 9.896 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.079 -9.627 8.073 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.919 -8.417 7.983 1.00 0.00 C ATOM 1338 C PRO A 88 -6.140 -7.124 8.255 1.00 0.00 C ATOM 1339 O PRO A 88 -6.586 -6.034 7.888 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.987 -8.644 9.063 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.066 -10.126 9.208 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.663 -10.633 8.987 1.00 0.00 C ATOM 0 HA PRO A 88 -7.325 -8.284 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.708 -8.168 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.947 -8.223 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.431 -10.404 10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.756 -10.554 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.107 -10.698 9.922 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.660 -11.629 8.544 1.00 0.00 H new ATOM 1350 N THR A 89 -4.981 -7.252 8.902 1.00 0.00 N ATOM 1351 CA THR A 89 -4.142 -6.100 9.226 1.00 0.00 C ATOM 1352 C THR A 89 -2.744 -6.229 8.600 1.00 0.00 C ATOM 1353 O THR A 89 -1.913 -5.330 8.722 1.00 0.00 O ATOM 1354 CB THR A 89 -4.009 -5.925 10.762 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.339 -4.696 11.073 1.00 0.00 O ATOM 1356 CG2 THR A 89 -3.245 -7.091 11.387 1.00 0.00 C ATOM 0 H THR A 89 -4.602 -8.146 9.213 1.00 0.00 H new ATOM 0 HA THR A 89 -4.630 -5.220 8.808 1.00 0.00 H new ATOM 0 HB THR A 89 -5.016 -5.903 11.178 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.654 -4.516 10.396 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.168 -6.940 12.464 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.776 -8.022 11.188 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.245 -7.144 10.956 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.492 -7.335 7.904 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.169 -7.594 7.336 1.00 0.00 C ATOM 1366 C PHE A 90 -1.258 -7.749 5.817 1.00 0.00 C ATOM 1367 O PHE A 90 -1.863 -8.700 5.308 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.549 -8.844 7.976 1.00 0.00 C ATOM 1369 CG PHE A 90 0.847 -9.150 7.495 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.951 -8.523 8.060 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.056 -10.064 6.473 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.227 -8.804 7.614 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.329 -10.347 6.027 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.413 -9.716 6.596 1.00 0.00 C ATOM 0 H PHE A 90 -3.182 -8.064 7.720 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.525 -6.742 7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.529 -8.714 9.058 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.190 -9.701 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.809 -7.808 8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.210 -10.560 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.078 -8.311 8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.476 -11.063 5.232 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.410 -9.936 6.245 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.638 -6.811 5.108 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.692 -6.758 3.650 1.00 0.00 C ATOM 1386 C HIS A 91 0.724 -6.546 3.111 1.00 0.00 C ATOM 1387 O HIS A 91 1.328 -5.498 3.343 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.608 -5.595 3.223 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.329 -5.774 1.915 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.622 -5.338 1.703 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.925 -6.316 0.734 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.956 -5.617 0.440 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.962 -6.212 -0.194 1.00 0.00 N ATOM 0 H HIS A 91 -0.083 -6.065 5.528 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.092 -7.689 3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.350 -5.436 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.007 -4.688 3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.957 -6.756 0.545 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.913 -5.386 -0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.954 -6.530 -1.163 1.00 0.00 H new ATOM 1401 N HIS A 92 1.262 -7.548 2.423 1.00 0.00 N ATOM 1402 CA HIS A 92 2.621 -7.464 1.892 1.00 0.00 C ATOM 1403 C HIS A 92 2.616 -7.746 0.397 1.00 0.00 C ATOM 1404 O HIS A 92 1.558 -7.965 -0.192 1.00 0.00 O ATOM 1405 CB HIS A 92 3.554 -8.458 2.605 1.00 0.00 C ATOM 1406 CG HIS A 92 3.336 -9.892 2.213 1.00 0.00 C ATOM 1407 ND1 HIS A 92 4.139 -10.572 1.322 1.00 0.00 N ATOM 1408 CD2 HIS A 92 2.395 -10.781 2.620 1.00 0.00 C ATOM 1409 CE1 HIS A 92 3.671 -11.822 1.218 1.00 0.00 C ATOM 1410 NE2 HIS A 92 2.614 -12.001 1.986 1.00 0.00 N ATOM 0 H HIS A 92 0.782 -8.425 2.220 1.00 0.00 H new ATOM 0 HA HIS A 92 2.992 -6.455 2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.588 -8.187 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.415 -8.362 3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.602 -10.575 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.103 -12.585 0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.069 -12.857 2.093 1.00 0.00 H new ATOM 1418 N TRP A 93 3.796 -7.734 -0.209 1.00 0.00 N ATOM 1419 CA TRP A 93 3.951 -8.123 -1.601 1.00 0.00 C ATOM 1420 C TRP A 93 5.296 -8.810 -1.809 1.00 0.00 C ATOM 1421 O TRP A 93 6.178 -8.740 -0.946 1.00 0.00 O ATOM 1422 CB TRP A 93 3.796 -6.910 -2.534 1.00 0.00 C ATOM 1423 CG TRP A 93 4.752 -5.779 -2.278 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.996 -5.613 -2.819 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.530 -4.642 -1.434 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.553 -4.445 -2.368 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.677 -3.833 -1.512 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.471 -4.232 -0.620 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.794 -2.636 -0.810 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.588 -3.044 0.079 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.742 -2.258 -0.020 1.00 0.00 C ATOM 0 H TRP A 93 4.665 -7.457 0.248 1.00 0.00 H new ATOM 0 HA TRP A 93 3.162 -8.831 -1.852 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.922 -7.245 -3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.778 -6.531 -2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.471 -6.302 -3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.473 -4.089 -2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.577 -4.832 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.683 -2.028 -0.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.776 -2.718 0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.804 -1.335 0.538 1.00 0.00 H new ATOM 1442 N LYS A 94 5.440 -9.488 -2.943 1.00 0.00 N ATOM 1443 CA LYS A 94 6.651 -10.244 -3.243 1.00 0.00 C ATOM 1444 C LYS A 94 6.939 -10.206 -4.741 1.00 0.00 C ATOM 1445 O LYS A 94 6.053 -10.465 -5.560 1.00 0.00 O ATOM 1446 CB LYS A 94 6.496 -11.696 -2.736 1.00 0.00 C ATOM 1447 CG LYS A 94 7.702 -12.614 -2.987 1.00 0.00 C ATOM 1448 CD LYS A 94 7.675 -13.260 -4.375 1.00 0.00 C ATOM 1449 CE LYS A 94 8.841 -14.218 -4.579 1.00 0.00 C ATOM 1450 NZ LYS A 94 8.812 -14.857 -5.921 1.00 0.00 N ATOM 0 H LYS A 94 4.729 -9.529 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 94 7.499 -9.791 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.298 -11.669 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.620 -12.137 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.621 -12.038 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.723 -13.396 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.736 -13.798 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.707 -12.482 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.779 -13.677 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.814 -14.990 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.695 -15.885 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.017 -14.474 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.704 -14.660 -6.419 1.00 0.00 H new ATOM 1464 N VAL A 95 8.178 -9.868 -5.082 1.00 0.00 N ATOM 1465 CA VAL A 95 8.644 -9.844 -6.467 1.00 0.00 C ATOM 1466 C VAL A 95 10.026 -10.476 -6.546 1.00 0.00 C ATOM 1467 O VAL A 95 10.809 -10.366 -5.601 1.00 0.00 O ATOM 1468 CB VAL A 95 8.712 -8.401 -7.033 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.320 -7.785 -7.124 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.636 -7.525 -6.185 1.00 0.00 C ATOM 0 H VAL A 95 8.892 -9.602 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 95 7.929 -10.407 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 95 9.125 -8.456 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.395 -6.774 -7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.697 -8.390 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.872 -7.750 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.667 -6.518 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.260 -7.483 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.640 -7.949 -6.185 1.00 0.00 H new ATOM 1480 N ASP A 96 10.319 -11.140 -7.664 1.00 0.00 N ATOM 1481 CA ASP A 96 11.617 -11.793 -7.863 1.00 0.00 C ATOM 1482 C ASP A 96 11.854 -12.856 -6.779 1.00 0.00 C ATOM 1483 O ASP A 96 11.459 -14.012 -6.936 1.00 0.00 O ATOM 1484 CB ASP A 96 12.739 -10.735 -7.879 1.00 0.00 C ATOM 1485 CG ASP A 96 14.136 -11.321 -8.024 1.00 0.00 C ATOM 1486 OD1 ASP A 96 14.579 -11.544 -9.173 1.00 0.00 O ATOM 1487 OD2 ASP A 96 14.807 -11.530 -6.993 1.00 0.00 O ATOM 0 H ASP A 96 9.675 -11.241 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 96 11.621 -12.303 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.559 -10.041 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.692 -10.156 -6.957 1.00 0.00 H new ATOM 1492 N ASN A 97 12.461 -12.448 -5.668 1.00 0.00 N ATOM 1493 CA ASN A 97 12.658 -13.325 -4.511 1.00 0.00 C ATOM 1494 C ASN A 97 12.616 -12.493 -3.230 1.00 0.00 C ATOM 1495 O ASN A 97 12.929 -12.969 -2.140 1.00 0.00 O ATOM 1496 CB ASN A 97 13.998 -14.069 -4.621 1.00 0.00 C ATOM 1497 CG ASN A 97 14.200 -15.101 -3.518 1.00 0.00 C ATOM 1498 OD1 ASN A 97 13.244 -15.711 -3.033 1.00 0.00 O ATOM 1499 ND2 ASN A 97 15.445 -15.303 -3.116 1.00 0.00 N ATOM 0 H ASN A 97 12.830 -11.505 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 97 11.859 -14.066 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.053 -14.566 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.813 -13.345 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.640 -15.983 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.210 -14.779 -3.541 1.00 0.00 H new ATOM 1506 N ARG A 98 12.204 -11.243 -3.375 1.00 0.00 N ATOM 1507 CA ARG A 98 12.180 -10.293 -2.271 1.00 0.00 C ATOM 1508 C ARG A 98 10.741 -9.992 -1.863 1.00 0.00 C ATOM 1509 O ARG A 98 9.887 -9.725 -2.711 1.00 0.00 O ATOM 1510 CB ARG A 98 12.911 -9.010 -2.685 1.00 0.00 C ATOM 1511 CG ARG A 98 14.391 -9.239 -2.994 1.00 0.00 C ATOM 1512 CD ARG A 98 15.026 -8.035 -3.681 1.00 0.00 C ATOM 1513 NE ARG A 98 14.896 -6.809 -2.889 1.00 0.00 N ATOM 1514 CZ ARG A 98 14.998 -5.579 -3.395 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.267 -5.403 -4.685 1.00 0.00 N ATOM 1516 NH2 ARG A 98 14.852 -4.523 -2.606 1.00 0.00 N ATOM 0 H ARG A 98 11.877 -10.858 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 98 12.690 -10.725 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.423 -8.588 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.822 -8.274 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.926 -9.451 -2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.496 -10.117 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.082 -8.238 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 98 14.559 -7.887 -4.655 1.00 0.00 H new ATOM 0 HE ARG A 98 14.716 -6.902 -1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.397 -6.211 -5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.344 -4.460 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.662 -4.651 -1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.930 -3.583 -2.993 1.00 0.00 H new ATOM 1530 N LYS A 99 10.481 -10.055 -0.561 1.00 0.00 N ATOM 1531 CA LYS A 99 9.144 -9.834 -0.018 1.00 0.00 C ATOM 1532 C LYS A 99 9.181 -8.782 1.085 1.00 0.00 C ATOM 1533 O LYS A 99 9.978 -8.871 2.018 1.00 0.00 O ATOM 1534 CB LYS A 99 8.527 -11.150 0.515 1.00 0.00 C ATOM 1535 CG LYS A 99 9.513 -12.090 1.219 1.00 0.00 C ATOM 1536 CD LYS A 99 10.366 -12.882 0.222 1.00 0.00 C ATOM 1537 CE LYS A 99 11.416 -13.743 0.914 1.00 0.00 C ATOM 1538 NZ LYS A 99 12.241 -14.505 -0.064 1.00 0.00 N ATOM 0 H LYS A 99 11.188 -10.260 0.145 1.00 0.00 H new ATOM 0 HA LYS A 99 8.513 -9.471 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.725 -10.902 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.072 -11.684 -0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.165 -11.509 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.962 -12.783 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.718 -13.518 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.859 -12.190 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.064 -13.109 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.924 -14.439 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.199 -14.639 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.805 -15.433 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.296 -13.976 -0.958 1.00 0.00 H new ATOM 1552 N PHE A 100 8.326 -7.778 0.946 1.00 0.00 N ATOM 1553 CA PHE A 100 8.182 -6.714 1.931 1.00 0.00 C ATOM 1554 C PHE A 100 6.793 -6.100 1.799 1.00 0.00 C ATOM 1555 O PHE A 100 6.110 -6.330 0.802 1.00 0.00 O ATOM 1556 CB PHE A 100 9.294 -5.652 1.785 1.00 0.00 C ATOM 1557 CG PHE A 100 9.608 -5.242 0.364 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.411 -6.044 -0.442 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.122 -4.053 -0.167 1.00 0.00 C ATOM 1560 CE1 PHE A 100 10.715 -5.674 -1.737 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.429 -3.678 -1.458 1.00 0.00 C ATOM 1562 CZ PHE A 100 10.225 -4.489 -2.246 1.00 0.00 C ATOM 0 H PHE A 100 7.708 -7.678 0.141 1.00 0.00 H new ATOM 0 HA PHE A 100 8.290 -7.134 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 100 9.003 -4.764 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 100 10.204 -6.036 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.802 -6.970 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.496 -3.415 0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 100 11.335 -6.311 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.047 -2.749 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 100 10.463 -4.195 -3.258 1.00 0.00 H new ATOM 1572 N GLY A 101 6.362 -5.350 2.807 1.00 0.00 N ATOM 1573 CA GLY A 101 5.015 -4.810 2.797 1.00 0.00 C ATOM 1574 C GLY A 101 4.756 -3.868 3.949 1.00 0.00 C ATOM 1575 O GLY A 101 5.588 -3.011 4.253 1.00 0.00 O ATOM 0 H GLY A 101 6.918 -5.107 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.846 -4.284 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.299 -5.631 2.836 1.00 0.00 H new ATOM 1579 N LEU A 102 3.601 -4.017 4.596 1.00 0.00 N ATOM 1580 CA LEU A 102 3.223 -3.142 5.699 1.00 0.00 C ATOM 1581 C LEU A 102 2.149 -3.778 6.585 1.00 0.00 C ATOM 1582 O LEU A 102 1.651 -4.872 6.305 1.00 0.00 O ATOM 1583 CB LEU A 102 2.756 -1.775 5.151 1.00 0.00 C ATOM 1584 CG LEU A 102 1.763 -1.812 3.966 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.378 -2.287 4.402 1.00 0.00 C ATOM 1586 CD2 LEU A 102 1.674 -0.438 3.301 1.00 0.00 C ATOM 0 H LEU A 102 2.913 -4.736 4.374 1.00 0.00 H new ATOM 0 HA LEU A 102 4.101 -2.988 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.294 -1.220 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.637 -1.212 4.841 1.00 0.00 H new ATOM 0 HG LEU A 102 2.143 -2.531 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.290 -2.299 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.452 -3.292 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.017 -1.609 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.971 -0.481 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.330 0.297 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.657 -0.149 2.930 1.00 0.00 H new ATOM 1598 N THR A 103 1.822 -3.083 7.668 1.00 0.00 N ATOM 1599 CA THR A 103 0.767 -3.490 8.584 1.00 0.00 C ATOM 1600 C THR A 103 -0.168 -2.303 8.831 1.00 0.00 C ATOM 1601 O THR A 103 0.290 -1.159 8.941 1.00 0.00 O ATOM 1602 CB THR A 103 1.363 -3.996 9.921 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.262 -5.089 9.664 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.271 -4.449 10.888 1.00 0.00 C ATOM 0 H THR A 103 2.286 -2.215 7.936 1.00 0.00 H new ATOM 0 HA THR A 103 0.205 -4.311 8.139 1.00 0.00 H new ATOM 0 HB THR A 103 1.901 -3.169 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.640 -5.408 10.510 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.727 -4.797 11.815 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.394 -3.613 11.103 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.300 -5.261 10.437 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.465 -2.580 8.899 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.478 -1.538 9.010 1.00 0.00 C ATOM 1614 C PHE A 104 -2.656 -1.088 10.454 1.00 0.00 C ATOM 1615 O PHE A 104 -2.202 -1.749 11.393 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.824 -2.043 8.475 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.788 -2.510 7.041 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.137 -1.765 6.069 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.419 -3.688 6.663 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.116 -2.187 4.755 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -4.401 -4.110 5.349 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.748 -3.358 4.395 1.00 0.00 C ATOM 0 H PHE A 104 -1.842 -3.528 8.879 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.139 -0.689 8.417 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.166 -2.865 9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.560 -1.244 8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.641 -0.845 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.930 -4.281 7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.604 -1.599 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.897 -5.027 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.732 -3.686 3.366 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.339 0.035 10.620 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.683 0.549 11.935 1.00 0.00 C ATOM 1634 C GLN A 105 -5.193 0.723 12.043 1.00 0.00 C ATOM 1635 O GLN A 105 -5.839 0.139 12.916 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.989 1.891 12.189 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.338 2.508 13.540 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.852 3.939 13.674 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.733 4.191 14.128 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -3.689 4.882 13.274 1.00 0.00 N ATOM 0 H GLN A 105 -3.669 0.614 9.848 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.345 -0.166 12.685 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.910 1.750 12.130 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.263 2.589 11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.419 2.481 13.678 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.900 1.904 14.335 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.605 4.628 12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.418 5.864 13.335 1.00 0.00 H new ATOM 1649 N SER A 106 -5.749 1.514 11.133 1.00 0.00 N ATOM 1650 CA SER A 106 -7.165 1.847 11.154 1.00 0.00 C ATOM 1651 C SER A 106 -7.848 1.351 9.875 1.00 0.00 C ATOM 1652 O SER A 106 -7.217 1.289 8.819 1.00 0.00 O ATOM 1653 CB SER A 106 -7.323 3.368 11.295 1.00 0.00 C ATOM 1654 OG SER A 106 -6.594 3.858 12.417 1.00 0.00 O ATOM 0 H SER A 106 -5.232 1.940 10.364 1.00 0.00 H new ATOM 0 HA SER A 106 -7.641 1.356 12.003 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.972 3.859 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.378 3.618 11.405 1.00 0.00 H new ATOM 0 HG SER A 106 -6.710 4.829 12.484 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.149 0.990 9.948 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.908 0.520 8.778 1.00 0.00 C ATOM 1662 C PRO A 107 -9.830 1.496 7.598 1.00 0.00 C ATOM 1663 O PRO A 107 -10.073 1.117 6.449 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.355 0.393 9.298 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.372 1.092 10.619 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.976 0.990 11.166 1.00 0.00 C ATOM 0 HA PRO A 107 -9.510 -0.417 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.062 0.849 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.643 -0.653 9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.670 2.134 10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.090 0.628 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.735 1.829 11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.836 0.081 11.750 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.498 2.752 7.891 1.00 0.00 N ATOM 1675 CA ALA A 108 -9.300 3.764 6.857 1.00 0.00 C ATOM 1676 C ALA A 108 -8.138 3.376 5.943 1.00 0.00 C ATOM 1677 O ALA A 108 -8.336 3.069 4.763 1.00 0.00 O ATOM 1678 CB ALA A 108 -9.043 5.129 7.491 1.00 0.00 C ATOM 0 H ALA A 108 -9.360 3.094 8.842 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.207 3.824 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.897 5.873 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.898 5.412 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.150 5.079 8.114 1.00 0.00 H new ATOM 1684 N ASP A 109 -6.930 3.368 6.509 1.00 0.00 N ATOM 1685 CA ASP A 109 -5.724 3.026 5.759 1.00 0.00 C ATOM 1686 C ASP A 109 -5.786 1.584 5.263 1.00 0.00 C ATOM 1687 O ASP A 109 -5.392 1.292 4.134 1.00 0.00 O ATOM 1688 CB ASP A 109 -4.461 3.261 6.610 1.00 0.00 C ATOM 1689 CG ASP A 109 -4.571 2.697 8.022 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.228 1.517 8.238 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.004 3.446 8.928 1.00 0.00 O ATOM 0 H ASP A 109 -6.762 3.596 7.489 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.669 3.681 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.605 2.807 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.265 4.332 6.668 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.310 0.696 6.103 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.491 -0.707 5.737 1.00 0.00 C ATOM 1698 C ALA A 110 -7.259 -0.840 4.421 1.00 0.00 C ATOM 1699 O ALA A 110 -6.758 -1.399 3.435 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.220 -1.451 6.853 1.00 0.00 C ATOM 0 H ALA A 110 -6.619 0.924 7.048 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.505 -1.151 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.350 -2.496 6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.635 -1.394 7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.197 -0.996 7.016 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.470 -0.296 4.408 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.342 -0.373 3.243 1.00 0.00 C ATOM 1708 C ARG A 111 -8.753 0.428 2.080 1.00 0.00 C ATOM 1709 O ARG A 111 -8.970 0.094 0.912 1.00 0.00 O ATOM 1710 CB ARG A 111 -10.737 0.148 3.612 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.823 -0.158 2.583 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.188 0.330 3.063 1.00 0.00 C ATOM 1713 NE ARG A 111 -14.281 -0.112 2.193 1.00 0.00 N ATOM 1714 CZ ARG A 111 -15.568 0.191 2.393 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.928 0.936 3.430 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -16.497 -0.262 1.562 1.00 0.00 N ATOM 0 H ARG A 111 -8.873 0.207 5.199 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.426 -1.412 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.030 -0.283 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -10.682 1.228 3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.575 0.320 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.861 -1.232 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.364 -0.033 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.184 1.419 3.111 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.045 -0.687 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.222 1.281 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.911 1.164 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -16.231 -0.843 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -17.478 -0.029 1.718 1.00 0.00 H new ATOM 1730 N ALA A 112 -7.996 1.475 2.413 1.00 0.00 N ATOM 1731 CA ALA A 112 -7.362 2.328 1.409 1.00 0.00 C ATOM 1732 C ALA A 112 -6.318 1.553 0.605 1.00 0.00 C ATOM 1733 O ALA A 112 -6.311 1.608 -0.624 1.00 0.00 O ATOM 1734 CB ALA A 112 -6.731 3.550 2.067 1.00 0.00 C ATOM 0 H ALA A 112 -7.807 1.753 3.376 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.135 2.665 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.264 4.173 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.501 4.124 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -5.976 3.228 2.785 1.00 0.00 H new ATOM 1740 N PHE A 113 -5.442 0.828 1.302 1.00 0.00 N ATOM 1741 CA PHE A 113 -4.410 0.029 0.640 1.00 0.00 C ATOM 1742 C PHE A 113 -5.039 -1.125 -0.132 1.00 0.00 C ATOM 1743 O PHE A 113 -4.695 -1.364 -1.293 1.00 0.00 O ATOM 1744 CB PHE A 113 -3.392 -0.514 1.653 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.460 0.537 2.210 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -1.510 1.136 1.395 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.529 0.919 3.541 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -0.652 2.092 1.897 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.670 1.875 4.048 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.730 2.462 3.225 1.00 0.00 C ATOM 0 H PHE A 113 -5.426 0.778 2.321 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.885 0.681 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.929 -0.982 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -2.799 -1.294 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.442 0.850 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.263 0.464 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.081 2.552 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.734 2.163 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.057 3.209 3.619 1.00 0.00 H new ATOM 1760 N ASP A 114 -5.963 -1.830 0.519 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.671 -2.953 -0.105 1.00 0.00 C ATOM 1762 C ASP A 114 -7.298 -2.529 -1.426 1.00 0.00 C ATOM 1763 O ASP A 114 -6.920 -3.011 -2.498 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.765 -3.465 0.832 1.00 0.00 C ATOM 1765 CG ASP A 114 -8.625 -4.555 0.206 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -8.103 -5.657 -0.054 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -9.830 -4.310 -0.026 1.00 0.00 O ATOM 0 H ASP A 114 -6.242 -1.644 1.482 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.949 -3.747 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.305 -3.851 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.403 -2.631 1.126 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.258 -1.619 -1.323 1.00 0.00 N ATOM 1773 CA ARG A 115 -8.937 -1.063 -2.494 1.00 0.00 C ATOM 1774 C ARG A 115 -7.932 -0.423 -3.451 1.00 0.00 C ATOM 1775 O ARG A 115 -8.071 -0.528 -4.668 1.00 0.00 O ATOM 1776 CB ARG A 115 -9.981 -0.017 -2.073 1.00 0.00 C ATOM 1777 CG ARG A 115 -10.652 0.693 -3.250 1.00 0.00 C ATOM 1778 CD ARG A 115 -11.605 1.792 -2.789 1.00 0.00 C ATOM 1779 NE ARG A 115 -12.725 1.259 -2.013 1.00 0.00 N ATOM 1780 CZ ARG A 115 -13.450 1.976 -1.152 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -13.175 3.258 -0.943 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -14.457 1.409 -0.502 1.00 0.00 N ATOM 0 H ARG A 115 -8.589 -1.245 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.441 -1.883 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.747 -0.504 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.501 0.727 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.888 1.124 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.201 -0.035 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.058 2.516 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.988 2.327 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 115 -12.967 0.276 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.404 3.702 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.734 3.799 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -14.677 0.426 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.012 1.956 0.156 1.00 0.00 H new ATOM 1796 N GLY A 116 -6.924 0.234 -2.883 1.00 0.00 N ATOM 1797 CA GLY A 116 -5.924 0.925 -3.678 1.00 0.00 C ATOM 1798 C GLY A 116 -5.233 0.007 -4.665 1.00 0.00 C ATOM 1799 O GLY A 116 -5.281 0.237 -5.877 1.00 0.00 O ATOM 0 H GLY A 116 -6.782 0.300 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.397 1.745 -4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.180 1.367 -3.016 1.00 0.00 H new ATOM 1803 N VAL A 117 -4.609 -1.050 -4.155 1.00 0.00 N ATOM 1804 CA VAL A 117 -3.889 -1.993 -5.003 1.00 0.00 C ATOM 1805 C VAL A 117 -4.858 -2.792 -5.869 1.00 0.00 C ATOM 1806 O VAL A 117 -4.568 -3.079 -7.030 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.005 -2.969 -4.183 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -3.836 -3.782 -3.192 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.220 -3.888 -5.118 1.00 0.00 C ATOM 0 H VAL A 117 -4.587 -1.275 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.233 -1.399 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.298 -2.375 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.183 -4.455 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.338 -3.107 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.581 -4.365 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.604 -4.567 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.915 -4.465 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.580 -3.288 -5.765 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.015 -3.130 -5.308 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.020 -3.898 -6.035 1.00 0.00 C ATOM 1821 C ARG A 118 -7.468 -3.121 -7.272 1.00 0.00 C ATOM 1822 O ARG A 118 -7.595 -3.681 -8.363 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.220 -4.197 -5.126 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.115 -5.327 -5.628 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.307 -5.545 -4.703 1.00 0.00 C ATOM 1826 NE ARG A 118 -11.005 -6.804 -4.974 1.00 0.00 N ATOM 1827 CZ ARG A 118 -12.328 -6.919 -5.100 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -13.096 -5.834 -5.131 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -12.880 -8.120 -5.226 1.00 0.00 N ATOM 0 H ARG A 118 -6.280 -2.885 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.584 -4.846 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.854 -4.452 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.819 -3.292 -5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.470 -5.094 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.536 -6.247 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.965 -5.538 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.005 -4.715 -4.814 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.442 -7.649 -5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.674 -4.908 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.107 -5.927 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -12.292 -8.954 -5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -13.892 -8.209 -5.322 1.00 0.00 H new ATOM 1843 N LYS A 119 -7.674 -1.819 -7.095 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.073 -0.940 -8.188 1.00 0.00 C ATOM 1845 C LYS A 119 -6.890 -0.655 -9.109 1.00 0.00 C ATOM 1846 O LYS A 119 -7.069 -0.420 -10.304 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.661 0.380 -7.646 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.147 0.565 -7.949 1.00 0.00 C ATOM 1849 CD LYS A 119 -10.428 0.494 -9.449 1.00 0.00 C ATOM 1850 CE LYS A 119 -11.888 0.782 -9.772 1.00 0.00 C ATOM 1851 NZ LYS A 119 -12.187 0.595 -11.217 1.00 0.00 N ATOM 0 H LYS A 119 -7.570 -1.347 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.846 -1.449 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.513 0.416 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.106 1.216 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.723 -0.204 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.481 1.527 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.794 1.211 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.163 -0.496 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.526 0.124 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.129 1.805 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.191 0.801 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.597 1.240 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.982 -0.388 -11.490 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.685 -0.660 -8.546 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.470 -0.478 -9.337 1.00 0.00 C ATOM 1867 C ALA A 120 -4.325 -1.621 -10.338 1.00 0.00 C ATOM 1868 O ALA A 120 -4.092 -1.396 -11.523 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.247 -0.393 -8.430 1.00 0.00 C ATOM 0 H ALA A 120 -5.523 -0.788 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.545 0.460 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.352 -0.258 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.356 0.452 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.158 -1.313 -7.853 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.492 -2.846 -9.845 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.446 -4.039 -10.685 1.00 0.00 C ATOM 1877 C ILE A 121 -5.629 -4.043 -11.655 1.00 0.00 C ATOM 1878 O ILE A 121 -5.486 -4.390 -12.831 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.473 -5.334 -9.829 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.266 -5.369 -8.873 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.492 -6.577 -10.719 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -3.246 -6.571 -7.948 1.00 0.00 C ATOM 0 H ILE A 121 -4.662 -3.039 -8.858 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.511 -4.017 -11.245 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.387 -5.332 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.349 -5.361 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.266 -4.460 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.511 -7.471 -10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.379 -6.558 -11.352 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.600 -6.590 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -2.366 -6.522 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.145 -6.570 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.213 -7.485 -8.540 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.790 -3.638 -11.144 1.00 0.00 N ATOM 1895 CA GLU A 122 -8.010 -3.555 -11.944 1.00 0.00 C ATOM 1896 C GLU A 122 -7.785 -2.668 -13.168 1.00 0.00 C ATOM 1897 O GLU A 122 -8.110 -3.049 -14.292 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.156 -2.991 -11.090 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.538 -3.129 -11.720 1.00 0.00 C ATOM 1900 CD GLU A 122 -11.014 -4.574 -11.776 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.611 -5.045 -10.783 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.784 -5.246 -12.806 1.00 0.00 O ATOM 0 H GLU A 122 -6.911 -3.360 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.276 -4.556 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.158 -3.498 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.963 -1.936 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -11.254 -2.536 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.516 -2.718 -12.729 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.207 -1.495 -12.933 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.955 -0.520 -13.995 1.00 0.00 C ATOM 1911 C ASP A 123 -5.774 -0.950 -14.866 1.00 0.00 C ATOM 1912 O ASP A 123 -5.767 -0.723 -16.080 1.00 0.00 O ATOM 1913 CB ASP A 123 -6.680 0.861 -13.383 1.00 0.00 C ATOM 1914 CG ASP A 123 -6.354 1.920 -14.430 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -7.295 2.441 -15.072 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -5.163 2.243 -14.611 1.00 0.00 O ATOM 0 H ASP A 123 -6.901 -1.192 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.842 -0.465 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.551 1.179 -12.811 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.849 0.783 -12.682 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.785 -1.575 -14.236 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.570 -2.014 -14.919 1.00 0.00 C ATOM 1923 C LEU A 124 -3.911 -3.043 -15.999 1.00 0.00 C ATOM 1924 O LEU A 124 -3.488 -2.917 -17.152 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.585 -2.600 -13.886 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.121 -2.795 -14.344 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.215 -3.012 -13.133 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.983 -3.969 -15.316 1.00 0.00 C ATOM 0 H LEU A 124 -4.801 -1.792 -13.239 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.098 -1.161 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.583 -1.948 -13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.970 -3.567 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.816 -1.889 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.813 -3.148 -13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.271 -2.144 -12.476 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.540 -3.899 -12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.060 -4.073 -15.615 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.314 -4.886 -14.829 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.596 -3.785 -16.198 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.682 -4.057 -15.614 1.00 0.00 N ATOM 1941 CA ILE A 125 -5.051 -5.137 -16.524 1.00 0.00 C ATOM 1942 C ILE A 125 -6.251 -4.739 -17.383 1.00 0.00 C ATOM 1943 O ILE A 125 -6.287 -5.026 -18.584 1.00 0.00 O ATOM 1944 CB ILE A 125 -5.382 -6.438 -15.747 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.180 -6.867 -14.884 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -5.789 -7.560 -16.705 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -4.422 -8.128 -14.077 1.00 0.00 C ATOM 0 H ILE A 125 -5.065 -4.153 -14.673 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.193 -5.323 -17.171 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.227 -6.237 -15.089 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.317 -7.022 -15.532 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.926 -6.055 -14.203 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.016 -8.461 -16.135 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.671 -7.255 -17.268 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.970 -7.764 -17.395 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.531 -8.365 -13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.264 -7.972 -13.402 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.646 -8.954 -14.752 1.00 0.00 H new ATOM 1959 N GLU A 126 -7.214 -4.060 -16.754 1.00 0.00 N ATOM 1960 CA GLU A 126 -8.460 -3.649 -17.406 1.00 0.00 C ATOM 1961 C GLU A 126 -9.302 -4.877 -17.782 1.00 0.00 C ATOM 1962 O GLU A 126 -10.228 -5.219 -17.014 1.00 0.00 O ATOM 1963 CB GLU A 126 -8.183 -2.755 -18.633 1.00 0.00 C ATOM 1964 CG GLU A 126 -9.447 -2.238 -19.316 1.00 0.00 C ATOM 1965 CD GLU A 126 -9.164 -1.246 -20.438 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -8.703 -1.670 -21.519 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -9.436 -0.038 -20.255 1.00 0.00 O ATOM 1968 OXT GLU A 126 -9.026 -5.509 -18.825 1.00 0.00 O ATOM 0 H GLU A 126 -7.151 -3.779 -15.775 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.034 -3.052 -16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.576 -1.905 -18.322 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.595 -3.319 -19.357 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.005 -3.083 -19.720 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.085 -1.761 -18.572 1.00 0.00 H new