USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 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 57 HIS : no HE2:sc= -5.61! K(o=-5.6!,f=-4.8) USER MOD Set 1.2: A 59 TYR OH : rot 0:sc= 0 USER MOD Set 2.1: A 28 CYS SG : rot -110:sc= 0.25 USER MOD Set 2.2: A 31 CYS SG : rot -68:sc= -1.82 USER MOD Set 2.3: A 60 HIS : no HE2:sc= -0.256 K(o=-3.1,f=-3.8) USER MOD Set 2.4: A 63 CYS SG : rot -175:sc= -1.28 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 57:sc= 0.6 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0345 (180deg=-0.238) USER MOD Single : A 32 SER OG : rot -55:sc= 0.0077 USER MOD Single : A 34 SER OG : rot 40:sc= 0.923 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -119:sc= 1.3 USER MOD Single : A 42 MET CE :methyl 146:sc= -0.15 (180deg=-2.39) USER MOD Single : A 45 MET CE :methyl 154:sc= -0.749 (180deg=-1.68!) USER MOD Single : A 47 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.6) USER MOD Single : A 48 SER OG : rot 42:sc= 0.0339 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.33! C(o=-1.3!,f=-2.4!) USER MOD Single : A 90 GLN : amide:sc= -0.0406 K(o=-0.041,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 154:sc= -0.108 (180deg=-0.584) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 77:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.317 10.270 -2.357 1.00 0.00 N ATOM 165 CA LEU A 15 0.863 10.372 -2.311 1.00 0.00 C ATOM 166 C LEU A 15 0.240 9.065 -1.830 1.00 0.00 C ATOM 167 O LEU A 15 -0.659 9.067 -0.988 1.00 0.00 O ATOM 168 CB LEU A 15 0.313 10.735 -3.692 1.00 0.00 C ATOM 169 CG LEU A 15 0.485 12.192 -4.121 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.584 12.295 -5.635 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.667 13.040 -3.601 1.00 0.00 C ATOM 0 HA LEU A 15 0.601 11.159 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.798 10.099 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.750 10.494 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 15 1.412 12.570 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.706 13.340 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.442 11.721 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.325 11.899 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.528 14.074 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.607 12.662 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.692 12.992 -2.512 1.00 0.00 H new ATOM 183 N TYR A 16 0.725 7.952 -2.368 1.00 0.00 N ATOM 184 CA TYR A 16 0.216 6.638 -1.995 1.00 0.00 C ATOM 185 C TYR A 16 1.297 5.810 -1.307 1.00 0.00 C ATOM 186 O TYR A 16 2.484 6.127 -1.390 1.00 0.00 O ATOM 187 CB TYR A 16 -0.301 5.898 -3.230 1.00 0.00 C ATOM 188 CG TYR A 16 -1.225 6.728 -4.091 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.558 6.907 -3.742 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.765 7.336 -5.253 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.406 7.664 -4.527 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.605 8.096 -6.042 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.925 8.257 -5.676 1.00 0.00 C ATOM 194 OH TYR A 16 -3.767 9.013 -6.459 1.00 0.00 O ATOM 0 H TYR A 16 1.470 7.933 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.607 6.781 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.549 5.574 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.827 4.998 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.938 6.447 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.268 7.212 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.440 7.791 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.230 8.562 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.272 9.361 -7.230 1.00 0.00 H new ATOM 204 N ARG A 17 0.877 4.747 -0.628 1.00 0.00 N ATOM 205 CA ARG A 17 1.809 3.873 0.075 1.00 0.00 C ATOM 206 C ARG A 17 1.186 2.503 0.323 1.00 0.00 C ATOM 207 O ARG A 17 0.223 2.374 1.080 1.00 0.00 O ATOM 208 CB ARG A 17 2.228 4.503 1.405 1.00 0.00 C ATOM 209 CG ARG A 17 3.066 3.583 2.277 1.00 0.00 C ATOM 210 CD ARG A 17 3.529 4.286 3.544 1.00 0.00 C ATOM 211 NE ARG A 17 4.484 5.354 3.260 1.00 0.00 N ATOM 212 CZ ARG A 17 4.635 6.427 4.027 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.899 6.575 5.119 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.526 7.356 3.702 1.00 0.00 N ATOM 0 H ARG A 17 -0.102 4.470 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 17 2.691 3.744 -0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.793 5.413 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.334 4.797 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.484 2.700 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.933 3.236 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.666 4.701 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.987 3.559 4.215 1.00 0.00 H new ATOM 0 HE ARG A 17 5.067 5.271 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.214 5.863 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.018 7.401 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.095 7.246 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.642 8.180 4.292 1.00 0.00 H new ATOM 228 N VAL A 18 1.742 1.480 -0.319 1.00 0.00 N ATOM 229 CA VAL A 18 1.242 0.119 -0.168 1.00 0.00 C ATOM 230 C VAL A 18 2.239 -0.752 0.588 1.00 0.00 C ATOM 231 O VAL A 18 3.436 -0.731 0.304 1.00 0.00 O ATOM 232 CB VAL A 18 0.947 -0.526 -1.535 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.227 -0.666 -2.346 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.271 -1.876 -1.352 1.00 0.00 C ATOM 0 H VAL A 18 2.539 1.569 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 18 0.315 0.184 0.402 1.00 0.00 H new ATOM 0 HB VAL A 18 0.266 0.123 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.999 -1.124 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.665 0.319 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.934 -1.294 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.070 -2.317 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.925 -2.536 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.667 -1.743 -0.814 1.00 0.00 H new ATOM 244 N GLU A 19 1.736 -1.516 1.553 1.00 0.00 N ATOM 245 CA GLU A 19 2.584 -2.395 2.350 1.00 0.00 C ATOM 246 C GLU A 19 1.745 -3.422 3.105 1.00 0.00 C ATOM 247 O GLU A 19 0.518 -3.333 3.138 1.00 0.00 O ATOM 248 CB GLU A 19 3.418 -1.576 3.338 1.00 0.00 C ATOM 249 CG GLU A 19 2.582 -0.771 4.319 1.00 0.00 C ATOM 250 CD GLU A 19 3.341 0.404 4.905 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.589 0.370 4.890 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.687 1.356 5.379 1.00 0.00 O ATOM 0 H GLU A 19 0.747 -1.544 1.801 1.00 0.00 H new ATOM 0 HA GLU A 19 3.253 -2.925 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.070 -2.249 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.063 -0.897 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.688 -0.406 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.249 -1.423 5.127 1.00 0.00 H new ATOM 259 N TYR A 20 2.417 -4.396 3.709 1.00 0.00 N ATOM 260 CA TYR A 20 1.734 -5.443 4.460 1.00 0.00 C ATOM 261 C TYR A 20 1.247 -4.917 5.807 1.00 0.00 C ATOM 262 O TYR A 20 2.034 -4.729 6.734 1.00 0.00 O ATOM 263 CB TYR A 20 2.666 -6.637 4.674 1.00 0.00 C ATOM 264 CG TYR A 20 3.272 -7.168 3.394 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.467 -7.542 2.325 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.648 -7.298 3.255 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.016 -8.029 1.154 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.205 -7.783 2.088 1.00 0.00 C ATOM 269 CZ TYR A 20 4.385 -8.147 1.040 1.00 0.00 C ATOM 270 OH TYR A 20 4.937 -8.631 -0.124 1.00 0.00 O ATOM 0 H TYR A 20 3.433 -4.482 3.693 1.00 0.00 H new ATOM 0 HA TYR A 20 0.869 -5.765 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.468 -6.345 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.111 -7.438 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.394 -7.451 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.293 -7.015 4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.376 -8.316 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.277 -7.877 1.996 1.00 0.00 H new ATOM 0 HH TYR A 20 4.643 -8.080 -0.879 1.00 0.00 H new ATOM 280 N ALA A 21 -0.057 -4.682 5.906 1.00 0.00 N ATOM 281 CA ALA A 21 -0.652 -4.180 7.139 1.00 0.00 C ATOM 282 C ALA A 21 0.074 -4.730 8.362 1.00 0.00 C ATOM 283 O ALA A 21 0.176 -5.944 8.543 1.00 0.00 O ATOM 284 CB ALA A 21 -2.130 -4.537 7.195 1.00 0.00 C ATOM 0 H ALA A 21 -0.722 -4.831 5.147 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.551 -3.095 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.561 -4.156 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.645 -4.091 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.244 -5.620 7.160 1.00 0.00 H new ATOM 290 N LYS A 22 0.579 -3.830 9.199 1.00 0.00 N ATOM 291 CA LYS A 22 1.295 -4.225 10.406 1.00 0.00 C ATOM 292 C LYS A 22 0.357 -4.904 11.399 1.00 0.00 C ATOM 293 O LYS A 22 0.663 -5.974 11.924 1.00 0.00 O ATOM 294 CB LYS A 22 1.948 -3.004 11.059 1.00 0.00 C ATOM 295 CG LYS A 22 3.349 -2.717 10.547 1.00 0.00 C ATOM 296 CD LYS A 22 3.320 -2.107 9.156 1.00 0.00 C ATOM 297 CE LYS A 22 4.698 -2.123 8.512 1.00 0.00 C ATOM 298 NZ LYS A 22 5.520 -0.954 8.933 1.00 0.00 N ATOM 0 H LYS A 22 0.506 -2.822 9.063 1.00 0.00 H new ATOM 0 HA LYS A 22 2.070 -4.936 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.320 -2.130 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.989 -3.157 12.137 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.856 -2.038 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.927 -3.641 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.618 -2.658 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.957 -1.081 9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.214 -3.045 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.592 -2.121 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.452 -1.001 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.040 -0.074 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.643 -0.970 9.966 1.00 0.00 H new ATOM 312 N SER A 23 -0.787 -4.276 11.649 1.00 0.00 N ATOM 313 CA SER A 23 -1.769 -4.820 12.580 1.00 0.00 C ATOM 314 C SER A 23 -3.183 -4.678 12.023 1.00 0.00 C ATOM 315 O SER A 23 -3.438 -3.850 11.150 1.00 0.00 O ATOM 316 CB SER A 23 -1.668 -4.111 13.932 1.00 0.00 C ATOM 317 OG SER A 23 -2.394 -4.809 14.930 1.00 0.00 O ATOM 0 H SER A 23 -1.057 -3.391 11.220 1.00 0.00 H new ATOM 0 HA SER A 23 -1.556 -5.880 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.622 -4.032 14.227 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.052 -3.095 13.843 1.00 0.00 H new ATOM 0 HG SER A 23 -2.312 -4.337 15.785 1.00 0.00 H new ATOM 323 N GLY A 24 -4.099 -5.494 12.536 1.00 0.00 N ATOM 324 CA GLY A 24 -5.475 -5.445 12.079 1.00 0.00 C ATOM 325 C GLY A 24 -6.299 -4.417 12.828 1.00 0.00 C ATOM 326 O GLY A 24 -7.436 -4.685 13.215 1.00 0.00 O ATOM 0 H GLY A 24 -3.912 -6.188 13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.493 -5.214 11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.930 -6.428 12.200 1.00 0.00 H new ATOM 330 N ARG A 25 -5.723 -3.237 13.035 1.00 0.00 N ATOM 331 CA ARG A 25 -6.411 -2.166 13.746 1.00 0.00 C ATOM 332 C ARG A 25 -6.987 -1.147 12.768 1.00 0.00 C ATOM 333 O ARG A 25 -8.125 -0.702 12.917 1.00 0.00 O ATOM 334 CB ARG A 25 -5.453 -1.472 14.717 1.00 0.00 C ATOM 335 CG ARG A 25 -4.312 -0.742 14.028 1.00 0.00 C ATOM 336 CD ARG A 25 -3.186 -0.426 15.000 1.00 0.00 C ATOM 337 NE ARG A 25 -2.160 0.419 14.394 1.00 0.00 N ATOM 338 CZ ARG A 25 -0.912 0.495 14.842 1.00 0.00 C ATOM 339 NH1 ARG A 25 -0.537 -0.219 15.894 1.00 0.00 N ATOM 340 NH2 ARG A 25 -0.036 1.287 14.237 1.00 0.00 N ATOM 0 H ARG A 25 -4.782 -2.999 12.721 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.233 -2.607 14.310 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.015 -0.761 15.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.039 -2.215 15.399 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.928 -1.353 13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.684 0.183 13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.595 0.074 15.878 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.733 -1.356 15.344 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.416 0.981 13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.208 -0.829 16.362 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.422 -0.159 16.236 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.321 1.838 13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.922 1.345 14.582 1.00 0.00 H new ATOM 354 N ALA A 26 -6.193 -0.781 11.766 1.00 0.00 N ATOM 355 CA ALA A 26 -6.625 0.185 10.763 1.00 0.00 C ATOM 356 C ALA A 26 -7.901 -0.279 10.069 1.00 0.00 C ATOM 357 O ALA A 26 -8.046 -1.455 9.736 1.00 0.00 O ATOM 358 CB ALA A 26 -5.520 0.415 9.743 1.00 0.00 C ATOM 0 H ALA A 26 -5.248 -1.139 11.628 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.840 1.127 11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.856 1.138 9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.633 0.798 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.278 -0.526 9.250 1.00 0.00 H new ATOM 364 N SER A 27 -8.824 0.653 9.853 1.00 0.00 N ATOM 365 CA SER A 27 -10.090 0.339 9.202 1.00 0.00 C ATOM 366 C SER A 27 -10.123 0.893 7.781 1.00 0.00 C ATOM 367 O SER A 27 -9.335 1.771 7.426 1.00 0.00 O ATOM 368 CB SER A 27 -11.258 0.908 10.010 1.00 0.00 C ATOM 369 OG SER A 27 -11.423 2.294 9.762 1.00 0.00 O ATOM 0 H SER A 27 -8.718 1.632 10.120 1.00 0.00 H new ATOM 0 HA SER A 27 -10.185 -0.746 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.175 0.378 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.083 0.744 11.073 1.00 0.00 H new ATOM 0 HG SER A 27 -12.177 2.633 10.289 1.00 0.00 H new ATOM 375 N CYS A 28 -11.039 0.374 6.971 1.00 0.00 N ATOM 376 CA CYS A 28 -11.176 0.814 5.588 1.00 0.00 C ATOM 377 C CYS A 28 -12.203 1.937 5.474 1.00 0.00 C ATOM 378 O CYS A 28 -12.911 2.246 6.432 1.00 0.00 O ATOM 379 CB CYS A 28 -11.585 -0.359 4.696 1.00 0.00 C ATOM 380 SG CYS A 28 -11.186 -0.127 2.933 1.00 0.00 S ATOM 0 H CYS A 28 -11.698 -0.353 7.249 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.210 1.194 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.091 -1.263 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.658 -0.521 4.796 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.284 0.038 2.258 1.00 0.00 H new ATOM 385 N LYS A 29 -12.278 2.544 4.294 1.00 0.00 N ATOM 386 CA LYS A 29 -13.219 3.632 4.052 1.00 0.00 C ATOM 387 C LYS A 29 -14.182 3.277 2.924 1.00 0.00 C ATOM 388 O LYS A 29 -15.360 3.634 2.964 1.00 0.00 O ATOM 389 CB LYS A 29 -12.465 4.918 3.707 1.00 0.00 C ATOM 390 CG LYS A 29 -11.475 5.349 4.775 1.00 0.00 C ATOM 391 CD LYS A 29 -12.182 5.926 5.990 1.00 0.00 C ATOM 392 CE LYS A 29 -11.274 6.864 6.770 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.008 7.573 7.854 1.00 0.00 N ATOM 0 H LYS A 29 -11.699 2.301 3.490 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.796 3.790 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.933 4.776 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.186 5.720 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.869 4.495 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.794 6.093 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.075 6.464 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.513 5.115 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.450 6.296 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.836 7.595 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.354 8.202 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.779 8.135 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.404 6.877 8.518 1.00 0.00 H new ATOM 407 N LYS A 30 -13.675 2.570 1.920 1.00 0.00 N ATOM 408 CA LYS A 30 -14.491 2.164 0.782 1.00 0.00 C ATOM 409 C LYS A 30 -15.521 1.118 1.197 1.00 0.00 C ATOM 410 O LYS A 30 -16.637 1.089 0.676 1.00 0.00 O ATOM 411 CB LYS A 30 -13.605 1.607 -0.334 1.00 0.00 C ATOM 412 CG LYS A 30 -14.386 0.983 -1.478 1.00 0.00 C ATOM 413 CD LYS A 30 -14.699 2.001 -2.561 1.00 0.00 C ATOM 414 CE LYS A 30 -16.008 1.681 -3.266 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.184 1.901 -2.379 1.00 0.00 N ATOM 0 H LYS A 30 -12.703 2.266 1.871 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.020 3.043 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.982 2.410 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.933 0.859 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.812 0.161 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.315 0.559 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.756 2.996 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.888 2.020 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.103 2.303 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.995 0.644 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.036 2.040 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.315 1.072 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.023 2.745 -1.792 1.00 0.00 H new ATOM 429 N CYS A 31 -15.141 0.261 2.138 1.00 0.00 N ATOM 430 CA CYS A 31 -16.032 -0.786 2.624 1.00 0.00 C ATOM 431 C CYS A 31 -16.310 -0.615 4.115 1.00 0.00 C ATOM 432 O CYS A 31 -17.362 -1.018 4.611 1.00 0.00 O ATOM 433 CB CYS A 31 -15.422 -2.165 2.364 1.00 0.00 C ATOM 434 SG CYS A 31 -13.968 -2.542 3.394 1.00 0.00 S ATOM 0 H CYS A 31 -14.222 0.271 2.580 1.00 0.00 H new ATOM 0 HA CYS A 31 -16.975 -0.705 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.183 -2.926 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.137 -2.232 1.314 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.977 -1.778 3.042 1.00 0.00 H new ATOM 439 N SER A 32 -15.360 -0.013 4.823 1.00 0.00 N ATOM 440 CA SER A 32 -15.501 0.210 6.258 1.00 0.00 C ATOM 441 C SER A 32 -15.350 -1.099 7.027 1.00 0.00 C ATOM 442 O SER A 32 -16.173 -1.427 7.881 1.00 0.00 O ATOM 443 CB SER A 32 -16.860 0.842 6.566 1.00 0.00 C ATOM 444 OG SER A 32 -16.859 1.454 7.844 1.00 0.00 O ATOM 0 H SER A 32 -14.484 0.329 4.427 1.00 0.00 H new ATOM 0 HA SER A 32 -14.712 0.891 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.101 1.584 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.637 0.079 6.525 1.00 0.00 H new ATOM 0 HG SER A 32 -16.594 0.797 8.521 1.00 0.00 H new ATOM 450 N GLU A 33 -14.291 -1.841 6.718 1.00 0.00 N ATOM 451 CA GLU A 33 -14.032 -3.114 7.380 1.00 0.00 C ATOM 452 C GLU A 33 -12.699 -3.080 8.122 1.00 0.00 C ATOM 453 O GLU A 33 -11.969 -2.091 8.063 1.00 0.00 O ATOM 454 CB GLU A 33 -14.031 -4.254 6.360 1.00 0.00 C ATOM 455 CG GLU A 33 -15.403 -4.552 5.778 1.00 0.00 C ATOM 456 CD GLU A 33 -15.474 -5.915 5.118 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.776 -6.900 5.824 1.00 0.00 O ATOM 458 OE2 GLU A 33 -15.228 -5.997 3.897 1.00 0.00 O ATOM 0 H GLU A 33 -13.599 -1.583 6.014 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.828 -3.286 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.348 -4.003 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.644 -5.155 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.149 -4.497 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.658 -3.785 5.047 1.00 0.00 H new ATOM 465 N SER A 34 -12.390 -4.168 8.821 1.00 0.00 N ATOM 466 CA SER A 34 -11.147 -4.262 9.579 1.00 0.00 C ATOM 467 C SER A 34 -10.057 -4.936 8.752 1.00 0.00 C ATOM 468 O SER A 34 -10.053 -6.156 8.587 1.00 0.00 O ATOM 469 CB SER A 34 -11.374 -5.040 10.876 1.00 0.00 C ATOM 470 OG SER A 34 -11.797 -6.366 10.609 1.00 0.00 O ATOM 0 H SER A 34 -12.983 -4.996 8.878 1.00 0.00 H new ATOM 0 HA SER A 34 -10.821 -3.251 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.453 -5.059 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.123 -4.531 11.482 1.00 0.00 H new ATOM 0 HG SER A 34 -11.301 -6.719 9.841 1.00 0.00 H new ATOM 476 N ILE A 35 -9.133 -4.133 8.235 1.00 0.00 N ATOM 477 CA ILE A 35 -8.037 -4.651 7.427 1.00 0.00 C ATOM 478 C ILE A 35 -7.282 -5.752 8.165 1.00 0.00 C ATOM 479 O ILE A 35 -6.813 -5.571 9.289 1.00 0.00 O ATOM 480 CB ILE A 35 -7.047 -3.536 7.040 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.759 -2.450 6.231 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.881 -4.113 6.251 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.040 -1.120 6.240 1.00 0.00 C ATOM 0 H ILE A 35 -9.122 -3.121 8.362 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.481 -5.063 6.521 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.656 -3.086 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.867 -2.788 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.765 -2.313 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.190 -3.313 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.361 -4.854 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.255 -4.586 5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.602 -0.399 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.955 -0.759 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.044 -1.242 5.815 1.00 0.00 H new ATOM 495 N PRO A 36 -7.159 -6.921 7.518 1.00 0.00 N ATOM 496 CA PRO A 36 -6.460 -8.073 8.093 1.00 0.00 C ATOM 497 C PRO A 36 -4.954 -7.852 8.182 1.00 0.00 C ATOM 498 O PRO A 36 -4.350 -7.252 7.293 1.00 0.00 O ATOM 499 CB PRO A 36 -6.777 -9.206 7.113 1.00 0.00 C ATOM 500 CG PRO A 36 -7.054 -8.520 5.820 1.00 0.00 C ATOM 501 CD PRO A 36 -7.693 -7.206 6.176 1.00 0.00 C ATOM 0 HA PRO A 36 -6.779 -8.274 9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.939 -9.898 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.637 -9.788 7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.135 -8.366 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.716 -9.119 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.429 -6.424 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.781 -7.277 6.183 1.00 0.00 H new ATOM 509 N LYS A 37 -4.351 -8.342 9.261 1.00 0.00 N ATOM 510 CA LYS A 37 -2.915 -8.199 9.466 1.00 0.00 C ATOM 511 C LYS A 37 -2.135 -8.969 8.405 1.00 0.00 C ATOM 512 O LYS A 37 -2.586 -10.006 7.919 1.00 0.00 O ATOM 513 CB LYS A 37 -2.526 -8.697 10.861 1.00 0.00 C ATOM 514 CG LYS A 37 -1.030 -8.674 11.120 1.00 0.00 C ATOM 515 CD LYS A 37 -0.721 -8.737 12.606 1.00 0.00 C ATOM 516 CE LYS A 37 0.699 -9.219 12.860 1.00 0.00 C ATOM 517 NZ LYS A 37 0.912 -9.591 14.286 1.00 0.00 N ATOM 0 H LYS A 37 -4.835 -8.842 10.007 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.664 -7.142 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.025 -8.082 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.893 -9.715 10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.559 -9.516 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.600 -7.766 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.856 -7.750 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.427 -9.406 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.909 -10.080 12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.404 -8.436 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.892 -9.914 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.736 -8.763 14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.257 -10.356 14.547 1.00 0.00 H new ATOM 531 N ASP A 38 -0.962 -8.455 8.051 1.00 0.00 N ATOM 532 CA ASP A 38 -0.118 -9.095 7.049 1.00 0.00 C ATOM 533 C ASP A 38 -0.832 -9.169 5.703 1.00 0.00 C ATOM 534 O ASP A 38 -0.790 -10.194 5.022 1.00 0.00 O ATOM 535 CB ASP A 38 0.280 -10.499 7.508 1.00 0.00 C ATOM 536 CG ASP A 38 1.553 -10.500 8.330 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.507 -10.055 9.496 1.00 0.00 O ATOM 538 OD2 ASP A 38 2.597 -10.946 7.808 1.00 0.00 O ATOM 0 H ASP A 38 -0.574 -7.597 8.443 1.00 0.00 H new ATOM 0 HA ASP A 38 0.782 -8.492 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.530 -10.929 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.414 -11.139 6.636 1.00 0.00 H new ATOM 543 N SER A 39 -1.490 -8.077 5.327 1.00 0.00 N ATOM 544 CA SER A 39 -2.218 -8.020 4.065 1.00 0.00 C ATOM 545 C SER A 39 -1.802 -6.798 3.252 1.00 0.00 C ATOM 546 O SER A 39 -1.452 -5.756 3.810 1.00 0.00 O ATOM 547 CB SER A 39 -3.726 -7.985 4.323 1.00 0.00 C ATOM 548 OG SER A 39 -4.142 -6.696 4.739 1.00 0.00 O ATOM 0 H SER A 39 -1.534 -7.220 5.878 1.00 0.00 H new ATOM 0 HA SER A 39 -1.974 -8.915 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.260 -8.268 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.985 -8.718 5.087 1.00 0.00 H new ATOM 0 HG SER A 39 -4.537 -6.753 5.634 1.00 0.00 H new ATOM 554 N LEU A 40 -1.842 -6.932 1.931 1.00 0.00 N ATOM 555 CA LEU A 40 -1.469 -5.840 1.039 1.00 0.00 C ATOM 556 C LEU A 40 -2.546 -4.759 1.022 1.00 0.00 C ATOM 557 O LEU A 40 -3.617 -4.946 0.445 1.00 0.00 O ATOM 558 CB LEU A 40 -1.238 -6.368 -0.377 1.00 0.00 C ATOM 559 CG LEU A 40 -0.415 -5.470 -1.303 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.017 -5.360 -0.805 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.447 -6.002 -2.728 1.00 0.00 C ATOM 0 H LEU A 40 -2.129 -7.787 1.454 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.544 -5.400 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.741 -7.335 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.209 -6.542 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.857 -4.474 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.587 -4.718 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.022 -4.933 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.470 -6.351 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.143 -5.351 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.030 -7.009 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.477 -6.028 -3.084 1.00 0.00 H new ATOM 573 N ARG A 41 -2.253 -3.628 1.655 1.00 0.00 N ATOM 574 CA ARG A 41 -3.195 -2.518 1.711 1.00 0.00 C ATOM 575 C ARG A 41 -2.574 -1.248 1.137 1.00 0.00 C ATOM 576 O ARG A 41 -1.354 -1.140 1.020 1.00 0.00 O ATOM 577 CB ARG A 41 -3.641 -2.272 3.154 1.00 0.00 C ATOM 578 CG ARG A 41 -2.490 -2.008 4.111 1.00 0.00 C ATOM 579 CD ARG A 41 -2.972 -1.347 5.393 1.00 0.00 C ATOM 580 NE ARG A 41 -1.862 -0.893 6.226 1.00 0.00 N ATOM 581 CZ ARG A 41 -1.960 -0.690 7.535 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.111 -0.901 8.157 1.00 0.00 N ATOM 583 NH2 ARG A 41 -0.904 -0.277 8.224 1.00 0.00 N ATOM 0 H ARG A 41 -1.370 -3.457 2.136 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.064 -2.782 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.322 -1.421 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.202 -3.138 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.991 -2.947 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.752 -1.369 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.610 -0.499 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.583 -2.052 5.957 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.962 -0.722 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.924 -1.220 7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.184 -0.744 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.016 -0.115 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.980 -0.121 9.229 1.00 0.00 H new ATOM 597 N MET A 42 -3.423 -0.290 0.779 1.00 0.00 N ATOM 598 CA MET A 42 -2.957 0.973 0.217 1.00 0.00 C ATOM 599 C MET A 42 -3.291 2.137 1.144 1.00 0.00 C ATOM 600 O MET A 42 -4.169 2.029 1.999 1.00 0.00 O ATOM 601 CB MET A 42 -3.583 1.205 -1.159 1.00 0.00 C ATOM 602 CG MET A 42 -2.806 0.562 -2.297 1.00 0.00 C ATOM 603 SD MET A 42 -1.586 1.674 -3.020 1.00 0.00 S ATOM 604 CE MET A 42 -1.738 1.261 -4.757 1.00 0.00 C ATOM 0 H MET A 42 -4.436 -0.364 0.868 1.00 0.00 H new ATOM 0 HA MET A 42 -1.874 0.917 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.600 0.813 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.655 2.277 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.303 -0.332 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.503 0.240 -3.071 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.572 2.154 -5.359 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.997 0.505 -5.017 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.737 0.872 -4.952 1.00 0.00 H new ATOM 614 N ALA A 43 -2.586 3.249 0.968 1.00 0.00 N ATOM 615 CA ALA A 43 -2.809 4.434 1.788 1.00 0.00 C ATOM 616 C ALA A 43 -2.940 5.683 0.923 1.00 0.00 C ATOM 617 O ALA A 43 -2.124 5.920 0.031 1.00 0.00 O ATOM 618 CB ALA A 43 -1.680 4.601 2.793 1.00 0.00 C ATOM 0 H ALA A 43 -1.855 3.355 0.265 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.745 4.300 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.860 5.490 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.636 3.725 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.734 4.709 2.263 1.00 0.00 H new ATOM 624 N ILE A 44 -3.970 6.478 1.192 1.00 0.00 N ATOM 625 CA ILE A 44 -4.206 7.703 0.438 1.00 0.00 C ATOM 626 C ILE A 44 -4.176 8.924 1.351 1.00 0.00 C ATOM 627 O ILE A 44 -4.716 8.899 2.456 1.00 0.00 O ATOM 628 CB ILE A 44 -5.558 7.659 -0.298 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.584 6.497 -1.293 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.816 8.979 -1.010 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.981 6.074 -1.691 1.00 0.00 C ATOM 0 H ILE A 44 -4.654 6.296 1.926 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.404 7.782 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.350 7.503 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.031 6.783 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.065 5.644 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.775 8.933 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.835 9.788 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.023 9.163 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.923 5.246 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.531 5.757 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.496 6.914 -2.157 1.00 0.00 H new ATOM 643 N MET A 45 -3.543 9.993 0.879 1.00 0.00 N ATOM 644 CA MET A 45 -3.445 11.226 1.652 1.00 0.00 C ATOM 645 C MET A 45 -4.543 12.207 1.251 1.00 0.00 C ATOM 646 O MET A 45 -4.442 12.883 0.227 1.00 0.00 O ATOM 647 CB MET A 45 -2.072 11.871 1.454 1.00 0.00 C ATOM 648 CG MET A 45 -0.972 11.222 2.278 1.00 0.00 C ATOM 649 SD MET A 45 -0.717 12.042 3.863 1.00 0.00 S ATOM 650 CE MET A 45 -1.977 11.251 4.860 1.00 0.00 C ATOM 0 H MET A 45 -3.091 10.030 -0.034 1.00 0.00 H new ATOM 0 HA MET A 45 -3.572 10.976 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.804 11.818 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.135 12.928 1.715 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.222 10.175 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.041 11.238 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.681 11.277 5.909 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.923 11.779 4.737 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.096 10.215 4.542 1.00 0.00 H new ATOM 660 N VAL A 46 -5.591 12.280 2.065 1.00 0.00 N ATOM 661 CA VAL A 46 -6.707 13.179 1.796 1.00 0.00 C ATOM 662 C VAL A 46 -6.764 14.307 2.820 1.00 0.00 C ATOM 663 O VAL A 46 -6.117 14.242 3.865 1.00 0.00 O ATOM 664 CB VAL A 46 -8.050 12.425 1.804 1.00 0.00 C ATOM 665 CG1 VAL A 46 -8.181 11.554 0.563 1.00 0.00 C ATOM 666 CG2 VAL A 46 -8.184 11.589 3.068 1.00 0.00 C ATOM 0 H VAL A 46 -5.691 11.727 2.916 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.541 13.601 0.805 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.858 13.157 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.136 11.029 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.133 12.180 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.368 10.828 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.139 11.063 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.371 10.864 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.138 12.240 3.941 1.00 0.00 H new ATOM 676 N GLN A 47 -7.543 15.339 2.513 1.00 0.00 N ATOM 677 CA GLN A 47 -7.684 16.481 3.408 1.00 0.00 C ATOM 678 C GLN A 47 -8.901 16.317 4.314 1.00 0.00 C ATOM 679 O GLN A 47 -10.040 16.454 3.869 1.00 0.00 O ATOM 680 CB GLN A 47 -7.805 17.775 2.602 1.00 0.00 C ATOM 681 CG GLN A 47 -7.369 19.013 3.369 1.00 0.00 C ATOM 682 CD GLN A 47 -8.457 19.551 4.277 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.612 19.681 3.872 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.093 19.867 5.515 1.00 0.00 N ATOM 0 H GLN A 47 -8.086 15.408 1.652 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.793 16.532 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.203 17.687 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.840 17.900 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.488 18.775 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.075 19.789 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.124 19.743 5.809 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.782 20.233 6.171 1.00 0.00 H new ATOM 693 N SER A 48 -8.650 16.021 5.585 1.00 0.00 N ATOM 694 CA SER A 48 -9.725 15.834 6.552 1.00 0.00 C ATOM 695 C SER A 48 -10.440 17.152 6.832 1.00 0.00 C ATOM 696 O SER A 48 -9.837 18.137 7.258 1.00 0.00 O ATOM 697 CB SER A 48 -9.171 15.255 7.856 1.00 0.00 C ATOM 698 OG SER A 48 -7.970 15.905 8.233 1.00 0.00 O ATOM 0 H SER A 48 -7.712 15.906 5.969 1.00 0.00 H new ATOM 0 HA SER A 48 -10.444 15.134 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.911 15.363 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.988 14.187 7.735 1.00 0.00 H new ATOM 0 HG SER A 48 -8.059 16.869 8.082 1.00 0.00 H new ATOM 774 N LYS A 54 -3.999 16.464 6.984 1.00 0.00 N ATOM 775 CA LYS A 54 -4.259 15.292 6.156 1.00 0.00 C ATOM 776 C LYS A 54 -4.179 14.013 6.983 1.00 0.00 C ATOM 777 O LYS A 54 -3.346 13.895 7.882 1.00 0.00 O ATOM 778 CB LYS A 54 -3.260 15.228 4.999 1.00 0.00 C ATOM 779 CG LYS A 54 -3.655 16.081 3.806 1.00 0.00 C ATOM 780 CD LYS A 54 -2.814 15.753 2.583 1.00 0.00 C ATOM 781 CE LYS A 54 -3.143 16.674 1.418 1.00 0.00 C ATOM 782 NZ LYS A 54 -2.755 16.074 0.111 1.00 0.00 N ATOM 0 HA LYS A 54 -5.268 15.380 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.282 15.549 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.157 14.192 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.709 15.922 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.538 17.135 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.757 15.843 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.985 14.717 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.211 16.890 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.626 17.625 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.995 16.732 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.731 15.891 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.267 15.179 -0.026 1.00 0.00 H new ATOM 796 N VAL A 55 -5.049 13.057 6.673 1.00 0.00 N ATOM 797 CA VAL A 55 -5.074 11.786 7.386 1.00 0.00 C ATOM 798 C VAL A 55 -4.873 10.616 6.430 1.00 0.00 C ATOM 799 O VAL A 55 -5.418 10.583 5.326 1.00 0.00 O ATOM 800 CB VAL A 55 -6.401 11.594 8.144 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.519 12.599 9.279 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.581 11.714 7.190 1.00 0.00 C ATOM 0 H VAL A 55 -5.746 13.139 5.933 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.254 11.809 8.104 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.411 10.593 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.463 12.447 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.692 12.461 9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.487 13.611 8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.511 11.576 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.577 12.701 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.502 10.951 6.416 1.00 0.00 H new ATOM 812 N PRO A 56 -4.072 9.630 6.861 1.00 0.00 N ATOM 813 CA PRO A 56 -3.781 8.438 6.059 1.00 0.00 C ATOM 814 C PRO A 56 -4.993 7.524 5.918 1.00 0.00 C ATOM 815 O PRO A 56 -5.427 6.898 6.886 1.00 0.00 O ATOM 816 CB PRO A 56 -2.673 7.739 6.851 1.00 0.00 C ATOM 817 CG PRO A 56 -2.866 8.196 8.256 1.00 0.00 C ATOM 818 CD PRO A 56 -3.389 9.603 8.166 1.00 0.00 C ATOM 0 HA PRO A 56 -3.498 8.693 5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.754 6.655 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.686 8.013 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.569 7.551 8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.927 8.163 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.074 9.830 8.983 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.583 10.335 8.213 1.00 0.00 H new ATOM 826 N HIS A 57 -5.537 7.451 4.708 1.00 0.00 N ATOM 827 CA HIS A 57 -6.699 6.612 4.440 1.00 0.00 C ATOM 828 C HIS A 57 -6.274 5.251 3.898 1.00 0.00 C ATOM 829 O HIS A 57 -5.710 5.155 2.808 1.00 0.00 O ATOM 830 CB HIS A 57 -7.634 7.300 3.445 1.00 0.00 C ATOM 831 CG HIS A 57 -8.534 8.318 4.075 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.781 8.632 3.576 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.364 9.094 5.171 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.337 9.557 4.337 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.498 9.855 5.312 1.00 0.00 N ATOM 0 H HIS A 57 -5.191 7.963 3.897 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.229 6.460 5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.037 7.784 2.672 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.244 6.544 2.950 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -10.207 8.215 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.497 9.111 5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.313 9.995 4.187 1.00 0.00 H new ATOM 843 N TRP A 58 -6.546 4.202 4.666 1.00 0.00 N ATOM 844 CA TRP A 58 -6.190 2.846 4.263 1.00 0.00 C ATOM 845 C TRP A 58 -7.289 2.228 3.405 1.00 0.00 C ATOM 846 O TRP A 58 -8.470 2.305 3.742 1.00 0.00 O ATOM 847 CB TRP A 58 -5.937 1.976 5.495 1.00 0.00 C ATOM 848 CG TRP A 58 -4.816 2.475 6.355 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.928 3.162 7.531 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.414 2.329 6.106 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.680 3.451 8.027 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.734 2.950 7.172 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.666 1.733 5.087 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.344 2.992 7.245 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.287 1.775 5.161 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.638 2.400 6.234 1.00 0.00 C ATOM 0 H TRP A 58 -7.012 4.264 5.571 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.277 2.897 3.670 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.849 1.928 6.091 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.713 0.959 5.173 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.860 3.437 8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.489 3.957 8.892 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.157 1.248 4.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.841 3.475 8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.699 1.318 4.378 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.441 2.415 6.263 1.00 0.00 H new ATOM 867 N TYR A 59 -6.892 1.615 2.296 1.00 0.00 N ATOM 868 CA TYR A 59 -7.843 0.985 1.388 1.00 0.00 C ATOM 869 C TYR A 59 -7.370 -0.408 0.983 1.00 0.00 C ATOM 870 O TYR A 59 -6.223 -0.592 0.575 1.00 0.00 O ATOM 871 CB TYR A 59 -8.042 1.850 0.143 1.00 0.00 C ATOM 872 CG TYR A 59 -8.853 3.100 0.397 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.241 3.054 0.447 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.232 4.328 0.588 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.986 4.194 0.679 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.969 5.473 0.822 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.346 5.401 0.866 1.00 0.00 C ATOM 878 OH TYR A 59 -11.084 6.538 1.098 1.00 0.00 O ATOM 0 H TYR A 59 -5.918 1.541 2.004 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.795 0.888 1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.066 2.134 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.536 1.257 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.746 2.110 0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.154 4.389 0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.064 4.140 0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.470 6.419 0.970 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.038 6.314 1.098 1.00 0.00 H new ATOM 888 N HIS A 60 -8.263 -1.386 1.099 1.00 0.00 N ATOM 889 CA HIS A 60 -7.938 -2.763 0.744 1.00 0.00 C ATOM 890 C HIS A 60 -7.308 -2.832 -0.644 1.00 0.00 C ATOM 891 O HIS A 60 -7.442 -1.907 -1.445 1.00 0.00 O ATOM 892 CB HIS A 60 -9.194 -3.634 0.791 1.00 0.00 C ATOM 893 CG HIS A 60 -9.570 -4.069 2.174 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.677 -3.587 2.840 1.00 0.00 N ATOM 895 CD2 HIS A 60 -8.980 -4.949 3.016 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.750 -4.150 4.032 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.732 -4.981 4.164 1.00 0.00 N ATOM 0 H HIS A 60 -9.216 -1.251 1.436 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.217 -3.139 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.026 -3.081 0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.037 -4.517 0.171 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.336 -2.903 2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.084 -5.520 2.821 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.513 -3.963 4.773 1.00 0.00 H new ATOM 905 N PHE A 61 -6.620 -3.935 -0.921 1.00 0.00 N ATOM 906 CA PHE A 61 -5.968 -4.124 -2.212 1.00 0.00 C ATOM 907 C PHE A 61 -6.937 -3.847 -3.357 1.00 0.00 C ATOM 908 O PHE A 61 -6.549 -3.318 -4.399 1.00 0.00 O ATOM 909 CB PHE A 61 -5.419 -5.548 -2.326 1.00 0.00 C ATOM 910 CG PHE A 61 -4.617 -5.783 -3.574 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.564 -4.945 -3.904 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.916 -6.842 -4.416 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.823 -5.159 -5.052 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.179 -7.061 -5.565 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.132 -6.218 -5.883 1.00 0.00 C ATOM 0 H PHE A 61 -6.500 -4.711 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.142 -3.417 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.795 -5.759 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.250 -6.253 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.319 -4.115 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.734 -7.504 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.004 -4.499 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.422 -7.890 -6.213 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.556 -6.387 -6.781 1.00 0.00 H new ATOM 925 N SER A 62 -8.200 -4.210 -3.156 1.00 0.00 N ATOM 926 CA SER A 62 -9.225 -4.005 -4.173 1.00 0.00 C ATOM 927 C SER A 62 -9.941 -2.674 -3.963 1.00 0.00 C ATOM 928 O SER A 62 -10.168 -1.921 -4.911 1.00 0.00 O ATOM 929 CB SER A 62 -10.238 -5.151 -4.144 1.00 0.00 C ATOM 930 OG SER A 62 -10.815 -5.290 -2.857 1.00 0.00 O ATOM 0 H SER A 62 -8.538 -4.647 -2.299 1.00 0.00 H new ATOM 0 HA SER A 62 -8.736 -3.985 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.021 -4.967 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.747 -6.082 -4.428 1.00 0.00 H new ATOM 0 HG SER A 62 -11.460 -6.028 -2.866 1.00 0.00 H new ATOM 936 N CYS A 63 -10.293 -2.390 -2.714 1.00 0.00 N ATOM 937 CA CYS A 63 -10.983 -1.151 -2.376 1.00 0.00 C ATOM 938 C CYS A 63 -10.281 0.051 -3.002 1.00 0.00 C ATOM 939 O CYS A 63 -10.910 0.873 -3.669 1.00 0.00 O ATOM 940 CB CYS A 63 -11.055 -0.979 -0.857 1.00 0.00 C ATOM 941 SG CYS A 63 -12.340 -1.990 -0.055 1.00 0.00 S ATOM 0 H CYS A 63 -10.112 -3.002 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 63 -11.995 -1.208 -2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.086 -1.234 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.239 0.071 -0.629 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.395 -1.698 1.211 1.00 0.00 H new ATOM 946 N PHE A 64 -8.974 0.146 -2.782 1.00 0.00 N ATOM 947 CA PHE A 64 -8.185 1.246 -3.324 1.00 0.00 C ATOM 948 C PHE A 64 -8.498 1.464 -4.802 1.00 0.00 C ATOM 949 O PHE A 64 -8.479 2.593 -5.291 1.00 0.00 O ATOM 950 CB PHE A 64 -6.692 0.969 -3.142 1.00 0.00 C ATOM 951 CG PHE A 64 -5.808 2.006 -3.776 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.569 1.990 -5.140 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.218 2.996 -3.007 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.756 2.943 -5.726 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.405 3.951 -3.587 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.174 3.925 -4.948 1.00 0.00 C ATOM 0 H PHE A 64 -8.439 -0.526 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.448 2.152 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.468 0.914 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.457 -0.007 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.022 1.225 -5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.396 3.022 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.576 2.920 -6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.951 4.717 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.540 4.671 -5.403 1.00 0.00 H new ATOM 966 N TRP A 65 -8.783 0.375 -5.506 1.00 0.00 N ATOM 967 CA TRP A 65 -9.099 0.445 -6.928 1.00 0.00 C ATOM 968 C TRP A 65 -10.589 0.686 -7.143 1.00 0.00 C ATOM 969 O TRP A 65 -10.989 1.357 -8.096 1.00 0.00 O ATOM 970 CB TRP A 65 -8.672 -0.844 -7.631 1.00 0.00 C ATOM 971 CG TRP A 65 -7.246 -1.221 -7.365 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.798 -2.363 -6.765 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.082 -0.452 -7.689 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.425 -2.351 -6.696 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.962 -1.190 -7.257 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.876 0.786 -8.303 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.659 -0.728 -7.419 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.582 1.243 -8.463 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.487 0.488 -8.024 1.00 0.00 C ATOM 0 H TRP A 65 -8.802 -0.567 -5.116 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.549 1.283 -7.356 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.322 -1.658 -7.309 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.815 -0.728 -8.705 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.430 -3.159 -6.399 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.845 -3.087 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.713 1.375 -8.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.814 -1.308 -7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.412 2.199 -8.935 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.488 0.873 -8.165 1.00 0.00 H new ATOM 990 N LYS A 66 -11.408 0.136 -6.253 1.00 0.00 N ATOM 991 CA LYS A 66 -12.855 0.292 -6.344 1.00 0.00 C ATOM 992 C LYS A 66 -13.238 1.766 -6.440 1.00 0.00 C ATOM 993 O LYS A 66 -14.015 2.160 -7.309 1.00 0.00 O ATOM 994 CB LYS A 66 -13.535 -0.345 -5.131 1.00 0.00 C ATOM 995 CG LYS A 66 -13.366 -1.853 -5.061 1.00 0.00 C ATOM 996 CD LYS A 66 -14.552 -2.516 -4.380 1.00 0.00 C ATOM 997 CE LYS A 66 -14.138 -3.786 -3.652 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.301 -4.678 -3.389 1.00 0.00 N ATOM 0 H LYS A 66 -11.094 -0.422 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.194 -0.213 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.130 0.100 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.599 -0.108 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.252 -2.254 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.452 -2.093 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.002 -1.820 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.314 -2.753 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.397 -4.321 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.660 -3.524 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.978 -5.532 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.997 -4.177 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.742 -4.949 -4.291 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.687 2.575 -5.541 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.970 4.005 -5.525 1.00 0.00 C ATOM 1014 C VAL A 67 -12.761 4.622 -6.904 1.00 0.00 C ATOM 1015 O VAL A 67 -13.475 5.542 -7.299 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.080 4.742 -4.506 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.451 4.342 -3.086 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.611 4.461 -4.781 1.00 0.00 C ATOM 0 H VAL A 67 -12.042 2.264 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.014 4.118 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.247 5.814 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.812 4.872 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.493 4.599 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.314 3.268 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.997 4.989 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.425 3.390 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.357 4.802 -5.785 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.776 4.106 -7.634 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.491 4.617 -8.962 1.00 0.00 C ATOM 1030 C GLY A 68 -10.194 5.400 -9.016 1.00 0.00 C ATOM 1031 O GLY A 68 -10.129 6.467 -9.627 1.00 0.00 O ATOM 0 H GLY A 68 -11.171 3.344 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.439 3.785 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.312 5.257 -9.286 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.158 4.870 -8.373 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.856 5.526 -8.349 1.00 0.00 C ATOM 1037 C HIS A 69 -6.915 4.903 -9.376 1.00 0.00 C ATOM 1038 O HIS A 69 -6.616 3.711 -9.315 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.240 5.434 -6.953 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.619 6.571 -6.055 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.420 7.894 -6.391 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.188 6.577 -4.827 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.850 8.664 -5.408 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.321 7.890 -4.447 1.00 0.00 N ATOM 0 H HIS A 69 -9.195 3.988 -7.862 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.001 6.576 -8.605 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.549 4.497 -6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.154 5.401 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.483 5.711 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.821 9.744 -5.393 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.719 8.215 -3.566 1.00 0.00 H new ATOM 1052 N SER A 70 -6.451 5.718 -10.318 1.00 0.00 N ATOM 1053 CA SER A 70 -5.548 5.246 -11.361 1.00 0.00 C ATOM 1054 C SER A 70 -4.102 5.602 -11.028 1.00 0.00 C ATOM 1055 O SER A 70 -3.838 6.572 -10.318 1.00 0.00 O ATOM 1056 CB SER A 70 -5.935 5.849 -12.713 1.00 0.00 C ATOM 1057 OG SER A 70 -5.612 7.228 -12.768 1.00 0.00 O ATOM 0 H SER A 70 -6.686 6.709 -10.380 1.00 0.00 H new ATOM 0 HA SER A 70 -5.634 4.161 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.417 5.319 -13.513 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.004 5.716 -12.882 1.00 0.00 H new ATOM 0 HG SER A 70 -5.868 7.589 -13.642 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.170 4.809 -11.547 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.751 5.040 -11.307 1.00 0.00 C ATOM 1065 C ILE A 71 -0.916 4.638 -12.518 1.00 0.00 C ATOM 1066 O ILE A 71 -1.074 3.543 -13.058 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.255 4.262 -10.074 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.941 4.778 -8.808 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.257 4.377 -9.948 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.703 3.907 -7.594 1.00 0.00 C ATOM 0 H ILE A 71 -3.372 4.001 -12.136 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.631 6.108 -11.125 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.511 3.210 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.585 5.786 -8.597 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.013 4.850 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.592 3.822 -9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.729 3.966 -10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.534 5.426 -9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.219 4.333 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.084 2.904 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.634 3.855 -7.387 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.026 5.531 -12.938 1.00 0.00 N ATOM 1083 CA ARG A 72 0.835 5.270 -14.085 1.00 0.00 C ATOM 1084 C ARG A 72 2.010 4.378 -13.692 1.00 0.00 C ATOM 1085 O ARG A 72 2.161 3.270 -14.206 1.00 0.00 O ATOM 1086 CB ARG A 72 1.354 6.584 -14.671 1.00 0.00 C ATOM 1087 CG ARG A 72 0.271 7.428 -15.325 1.00 0.00 C ATOM 1088 CD ARG A 72 0.098 7.072 -16.793 1.00 0.00 C ATOM 1089 NE ARG A 72 1.312 7.325 -17.565 1.00 0.00 N ATOM 1090 CZ ARG A 72 1.309 7.651 -18.852 1.00 0.00 C ATOM 1091 NH1 ARG A 72 0.163 7.763 -19.509 1.00 0.00 N ATOM 1092 NH2 ARG A 72 2.455 7.866 -19.486 1.00 0.00 N ATOM 0 H ARG A 72 0.118 6.441 -12.501 1.00 0.00 H new ATOM 0 HA ARG A 72 0.243 4.752 -14.840 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.826 7.164 -13.878 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.126 6.364 -15.408 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.673 7.281 -14.800 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.526 8.484 -15.233 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.175 6.020 -16.881 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.725 7.651 -17.212 1.00 0.00 H new ATOM 0 HE ARG A 72 2.211 7.247 -17.089 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.720 7.599 -19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.164 8.014 -20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.339 7.781 -18.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.452 8.116 -20.475 1.00 0.00 H new ATOM 1106 N HIS A 73 2.839 4.870 -12.776 1.00 0.00 N ATOM 1107 CA HIS A 73 4.000 4.118 -12.313 1.00 0.00 C ATOM 1108 C HIS A 73 4.031 4.051 -10.789 1.00 0.00 C ATOM 1109 O HIS A 73 4.591 4.917 -10.117 1.00 0.00 O ATOM 1110 CB HIS A 73 5.288 4.757 -12.833 1.00 0.00 C ATOM 1111 CG HIS A 73 5.458 4.639 -14.317 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.372 3.440 -14.991 1.00 0.00 N ATOM 1113 CD2 HIS A 73 5.708 5.581 -15.257 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.564 3.648 -16.282 1.00 0.00 C ATOM 1115 NE2 HIS A 73 5.770 4.940 -16.469 1.00 0.00 N ATOM 0 H HIS A 73 2.728 5.786 -12.340 1.00 0.00 H new ATOM 0 HA HIS A 73 3.924 3.103 -12.703 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.298 5.811 -12.557 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.140 4.290 -12.340 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.835 6.640 -15.085 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.554 2.891 -17.053 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.946 5.388 -17.368 1.00 0.00 H new ATOM 1123 N PRO A 74 3.414 2.999 -10.230 1.00 0.00 N ATOM 1124 CA PRO A 74 3.358 2.794 -8.780 1.00 0.00 C ATOM 1125 C PRO A 74 4.718 2.434 -8.191 1.00 0.00 C ATOM 1126 O PRO A 74 4.923 2.520 -6.981 1.00 0.00 O ATOM 1127 CB PRO A 74 2.382 1.624 -8.625 1.00 0.00 C ATOM 1128 CG PRO A 74 2.465 0.888 -9.917 1.00 0.00 C ATOM 1129 CD PRO A 74 2.726 1.928 -10.971 1.00 0.00 C ATOM 0 HA PRO A 74 3.051 3.697 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.660 0.985 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.368 1.977 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.264 0.147 -9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.539 0.351 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.345 1.536 -11.778 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.800 2.283 -11.423 1.00 0.00 H new ATOM 1137 N ASP A 75 5.643 2.032 -9.055 1.00 0.00 N ATOM 1138 CA ASP A 75 6.985 1.660 -8.621 1.00 0.00 C ATOM 1139 C ASP A 75 7.639 2.799 -7.846 1.00 0.00 C ATOM 1140 O ASP A 75 8.363 2.569 -6.876 1.00 0.00 O ATOM 1141 CB ASP A 75 7.848 1.285 -9.826 1.00 0.00 C ATOM 1142 CG ASP A 75 7.622 2.204 -11.010 1.00 0.00 C ATOM 1143 OD1 ASP A 75 6.567 2.077 -11.667 1.00 0.00 O ATOM 1144 OD2 ASP A 75 8.499 3.051 -11.279 1.00 0.00 O ATOM 0 H ASP A 75 5.489 1.955 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 75 6.901 0.796 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.899 1.318 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.629 0.258 -10.120 1.00 0.00 H new ATOM 1149 N VAL A 76 7.382 4.029 -8.280 1.00 0.00 N ATOM 1150 CA VAL A 76 7.946 5.204 -7.627 1.00 0.00 C ATOM 1151 C VAL A 76 6.864 6.012 -6.919 1.00 0.00 C ATOM 1152 O VAL A 76 7.075 6.519 -5.818 1.00 0.00 O ATOM 1153 CB VAL A 76 8.672 6.113 -8.637 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.880 5.400 -9.225 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.717 6.557 -9.735 1.00 0.00 C ATOM 0 H VAL A 76 6.786 4.237 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 76 8.665 4.843 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 76 9.025 7.001 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.380 6.058 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.572 5.137 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.555 4.494 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.246 7.198 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.333 5.682 -10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.887 7.109 -9.294 1.00 0.00 H new ATOM 1165 N GLU A 77 5.705 6.127 -7.560 1.00 0.00 N ATOM 1166 CA GLU A 77 4.589 6.874 -6.990 1.00 0.00 C ATOM 1167 C GLU A 77 4.075 6.200 -5.721 1.00 0.00 C ATOM 1168 O GLU A 77 4.029 6.813 -4.654 1.00 0.00 O ATOM 1169 CB GLU A 77 3.456 6.998 -8.010 1.00 0.00 C ATOM 1170 CG GLU A 77 3.827 7.816 -9.236 1.00 0.00 C ATOM 1171 CD GLU A 77 2.614 8.381 -9.949 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.574 7.692 -9.989 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.706 9.514 -10.467 1.00 0.00 O ATOM 0 H GLU A 77 5.514 5.713 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 77 4.946 7.871 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.154 6.000 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.592 7.454 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.482 8.634 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.392 7.191 -9.928 1.00 0.00 H new ATOM 1180 N VAL A 78 3.688 4.935 -5.845 1.00 0.00 N ATOM 1181 CA VAL A 78 3.177 4.177 -4.710 1.00 0.00 C ATOM 1182 C VAL A 78 4.316 3.618 -3.864 1.00 0.00 C ATOM 1183 O VAL A 78 4.987 2.665 -4.260 1.00 0.00 O ATOM 1184 CB VAL A 78 2.276 3.015 -5.170 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.813 2.193 -3.977 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.087 3.543 -5.957 1.00 0.00 C ATOM 0 H VAL A 78 3.719 4.413 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 78 2.587 4.868 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 78 2.857 2.365 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.178 1.377 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.680 1.784 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.249 2.828 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.461 2.709 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.504 4.215 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.442 4.084 -6.834 1.00 0.00 H new ATOM 1196 N ASP A 79 4.529 4.218 -2.698 1.00 0.00 N ATOM 1197 CA ASP A 79 5.587 3.780 -1.795 1.00 0.00 C ATOM 1198 C ASP A 79 5.401 2.315 -1.411 1.00 0.00 C ATOM 1199 O ASP A 79 4.311 1.761 -1.547 1.00 0.00 O ATOM 1200 CB ASP A 79 5.607 4.651 -0.538 1.00 0.00 C ATOM 1201 CG ASP A 79 6.912 4.538 0.224 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.981 4.692 -0.404 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.866 4.298 1.448 1.00 0.00 O ATOM 0 H ASP A 79 3.983 5.009 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 79 6.540 3.883 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.442 5.691 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.783 4.362 0.114 1.00 0.00 H new ATOM 1208 N GLY A 80 6.474 1.693 -0.932 1.00 0.00 N ATOM 1209 CA GLY A 80 6.409 0.299 -0.537 1.00 0.00 C ATOM 1210 C GLY A 80 6.661 -0.645 -1.697 1.00 0.00 C ATOM 1211 O GLY A 80 7.325 -1.669 -1.540 1.00 0.00 O ATOM 0 H GLY A 80 7.387 2.130 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.144 0.112 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.428 0.091 -0.110 1.00 0.00 H new ATOM 1215 N PHE A 81 6.128 -0.300 -2.864 1.00 0.00 N ATOM 1216 CA PHE A 81 6.296 -1.125 -4.055 1.00 0.00 C ATOM 1217 C PHE A 81 7.672 -1.784 -4.070 1.00 0.00 C ATOM 1218 O PHE A 81 7.785 -3.008 -4.141 1.00 0.00 O ATOM 1219 CB PHE A 81 6.108 -0.281 -5.317 1.00 0.00 C ATOM 1220 CG PHE A 81 6.256 -1.065 -6.590 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.507 -1.454 -7.039 1.00 0.00 C ATOM 1222 CD2 PHE A 81 5.142 -1.412 -7.338 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.646 -2.175 -8.209 1.00 0.00 C ATOM 1224 CE2 PHE A 81 5.275 -2.134 -8.509 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.529 -2.515 -8.946 1.00 0.00 C ATOM 0 H PHE A 81 5.576 0.545 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 81 5.538 -1.908 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.119 0.177 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.835 0.531 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.385 -1.190 -6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.159 -1.115 -7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.628 -2.473 -8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.399 -2.400 -9.082 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.635 -3.077 -9.862 1.00 0.00 H new ATOM 1235 N SER A 82 8.715 -0.964 -4.003 1.00 0.00 N ATOM 1236 CA SER A 82 10.084 -1.465 -4.014 1.00 0.00 C ATOM 1237 C SER A 82 10.312 -2.447 -2.868 1.00 0.00 C ATOM 1238 O SER A 82 10.958 -3.480 -3.042 1.00 0.00 O ATOM 1239 CB SER A 82 11.076 -0.305 -3.910 1.00 0.00 C ATOM 1240 OG SER A 82 12.325 -0.649 -4.483 1.00 0.00 O ATOM 0 H SER A 82 8.638 0.051 -3.940 1.00 0.00 H new ATOM 0 HA SER A 82 10.245 -1.988 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.670 0.571 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.215 -0.034 -2.863 1.00 0.00 H new ATOM 0 HG SER A 82 12.941 0.110 -4.405 1.00 0.00 H new ATOM 1246 N GLU A 83 9.775 -2.117 -1.698 1.00 0.00 N ATOM 1247 CA GLU A 83 9.920 -2.969 -0.524 1.00 0.00 C ATOM 1248 C GLU A 83 9.278 -4.333 -0.759 1.00 0.00 C ATOM 1249 O GLU A 83 9.838 -5.367 -0.391 1.00 0.00 O ATOM 1250 CB GLU A 83 9.290 -2.301 0.700 1.00 0.00 C ATOM 1251 CG GLU A 83 10.019 -1.047 1.152 1.00 0.00 C ATOM 1252 CD GLU A 83 9.370 -0.397 2.359 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.663 -0.826 3.494 1.00 0.00 O ATOM 1254 OE2 GLU A 83 8.568 0.541 2.167 1.00 0.00 O ATOM 0 H GLU A 83 9.236 -1.266 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 83 10.985 -3.114 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.255 -2.047 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.269 -3.016 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.052 -1.298 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.047 -0.332 0.330 1.00 0.00 H new ATOM 1261 N LEU A 84 8.101 -4.328 -1.374 1.00 0.00 N ATOM 1262 CA LEU A 84 7.381 -5.565 -1.659 1.00 0.00 C ATOM 1263 C LEU A 84 8.255 -6.534 -2.447 1.00 0.00 C ATOM 1264 O LEU A 84 9.129 -6.120 -3.208 1.00 0.00 O ATOM 1265 CB LEU A 84 6.100 -5.264 -2.440 1.00 0.00 C ATOM 1266 CG LEU A 84 5.137 -4.269 -1.792 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.131 -3.759 -2.812 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.424 -4.909 -0.610 1.00 0.00 C ATOM 0 H LEU A 84 7.624 -3.482 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 84 7.119 -6.031 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.378 -4.882 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.568 -6.202 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 84 5.714 -3.420 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.454 -3.052 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.658 -3.262 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.559 -4.597 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.743 -4.186 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.859 -5.776 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.159 -5.224 0.131 1.00 0.00 H new ATOM 1280 N ARG A 85 8.012 -7.828 -2.260 1.00 0.00 N ATOM 1281 CA ARG A 85 8.777 -8.857 -2.955 1.00 0.00 C ATOM 1282 C ARG A 85 8.491 -8.828 -4.454 1.00 0.00 C ATOM 1283 O ARG A 85 7.471 -8.295 -4.891 1.00 0.00 O ATOM 1284 CB ARG A 85 8.445 -10.238 -2.388 1.00 0.00 C ATOM 1285 CG ARG A 85 9.104 -10.522 -1.048 1.00 0.00 C ATOM 1286 CD ARG A 85 10.605 -10.718 -1.196 1.00 0.00 C ATOM 1287 NE ARG A 85 10.929 -11.979 -1.859 1.00 0.00 N ATOM 1288 CZ ARG A 85 12.012 -12.159 -2.606 1.00 0.00 C ATOM 1289 NH1 ARG A 85 12.871 -11.165 -2.785 1.00 0.00 N ATOM 1290 NH2 ARG A 85 12.239 -13.335 -3.176 1.00 0.00 N ATOM 0 H ARG A 85 7.292 -8.188 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 85 9.837 -8.653 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.364 -10.325 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.755 -10.999 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.909 -9.696 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.661 -11.414 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.024 -9.890 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.073 -10.695 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 85 10.288 -12.764 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.701 -10.259 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.702 -11.306 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.581 -14.103 -3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.071 -13.472 -3.750 1.00 0.00 H new ATOM 1304 N TRP A 86 9.398 -9.403 -5.234 1.00 0.00 N ATOM 1305 CA TRP A 86 9.244 -9.443 -6.684 1.00 0.00 C ATOM 1306 C TRP A 86 7.823 -9.838 -7.070 1.00 0.00 C ATOM 1307 O TRP A 86 7.174 -9.159 -7.866 1.00 0.00 O ATOM 1308 CB TRP A 86 10.244 -10.425 -7.297 1.00 0.00 C ATOM 1309 CG TRP A 86 10.388 -10.276 -8.782 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.097 -9.314 -9.444 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.808 -11.113 -9.787 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.992 -9.504 -10.801 1.00 0.00 N ATOM 1313 CE2 TRP A 86 10.208 -10.601 -11.037 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.992 -12.247 -9.754 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.817 -11.184 -12.240 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 8.604 -12.824 -10.948 1.00 0.00 C ATOM 1317 CH2 TRP A 86 9.017 -12.293 -12.177 1.00 0.00 C ATOM 0 H TRP A 86 10.248 -9.848 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 86 9.442 -8.444 -7.073 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.218 -10.281 -6.828 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.928 -11.443 -7.070 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.657 -8.521 -8.971 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.428 -8.922 -11.516 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.670 -12.665 -8.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 10.134 -10.776 -13.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.972 -13.699 -10.934 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.698 -12.768 -13.093 1.00 0.00 H new ATOM 1328 N ASP A 87 7.345 -10.939 -6.501 1.00 0.00 N ATOM 1329 CA ASP A 87 5.999 -11.424 -6.785 1.00 0.00 C ATOM 1330 C ASP A 87 4.979 -10.295 -6.668 1.00 0.00 C ATOM 1331 O ASP A 87 4.231 -10.022 -7.607 1.00 0.00 O ATOM 1332 CB ASP A 87 5.631 -12.560 -5.830 1.00 0.00 C ATOM 1333 CG ASP A 87 4.431 -13.353 -6.308 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.440 -12.727 -6.740 1.00 0.00 O ATOM 1335 OD2 ASP A 87 4.483 -14.599 -6.252 1.00 0.00 O ATOM 0 H ASP A 87 7.869 -11.513 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 87 5.983 -11.800 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.484 -13.229 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.420 -12.147 -4.843 1.00 0.00 H new ATOM 1340 N ASP A 88 4.955 -9.644 -5.511 1.00 0.00 N ATOM 1341 CA ASP A 88 4.027 -8.544 -5.271 1.00 0.00 C ATOM 1342 C ASP A 88 4.225 -7.433 -6.297 1.00 0.00 C ATOM 1343 O ASP A 88 3.299 -7.076 -7.024 1.00 0.00 O ATOM 1344 CB ASP A 88 4.214 -7.990 -3.858 1.00 0.00 C ATOM 1345 CG ASP A 88 3.436 -8.776 -2.820 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.133 -9.959 -3.078 1.00 0.00 O ATOM 1347 OD2 ASP A 88 3.131 -8.207 -1.751 1.00 0.00 O ATOM 0 H ASP A 88 5.567 -9.858 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 88 3.012 -8.929 -5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.273 -8.005 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.895 -6.948 -3.834 1.00 0.00 H new ATOM 1352 N GLN A 89 5.437 -6.891 -6.348 1.00 0.00 N ATOM 1353 CA GLN A 89 5.755 -5.818 -7.284 1.00 0.00 C ATOM 1354 C GLN A 89 5.069 -6.047 -8.627 1.00 0.00 C ATOM 1355 O GLN A 89 4.463 -5.134 -9.187 1.00 0.00 O ATOM 1356 CB GLN A 89 7.268 -5.718 -7.482 1.00 0.00 C ATOM 1357 CG GLN A 89 8.015 -5.256 -6.240 1.00 0.00 C ATOM 1358 CD GLN A 89 9.479 -4.973 -6.512 1.00 0.00 C ATOM 1359 OE1 GLN A 89 10.257 -5.885 -6.795 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.863 -3.705 -6.426 1.00 0.00 N ATOM 0 H GLN A 89 6.215 -7.176 -5.753 1.00 0.00 H new ATOM 0 HA GLN A 89 5.388 -4.882 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.652 -6.692 -7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.474 -5.026 -8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.541 -4.355 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.934 -6.020 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.184 -2.982 -6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.837 -3.454 -6.597 1.00 0.00 H new ATOM 1369 N GLN A 90 5.168 -7.270 -9.136 1.00 0.00 N ATOM 1370 CA GLN A 90 4.558 -7.617 -10.414 1.00 0.00 C ATOM 1371 C GLN A 90 3.037 -7.552 -10.326 1.00 0.00 C ATOM 1372 O GLN A 90 2.381 -6.934 -11.165 1.00 0.00 O ATOM 1373 CB GLN A 90 4.996 -9.017 -10.849 1.00 0.00 C ATOM 1374 CG GLN A 90 6.500 -9.159 -11.014 1.00 0.00 C ATOM 1375 CD GLN A 90 7.043 -8.329 -12.161 1.00 0.00 C ATOM 1376 OE1 GLN A 90 6.353 -8.092 -13.152 1.00 0.00 O ATOM 1377 NE2 GLN A 90 8.287 -7.882 -12.031 1.00 0.00 N ATOM 0 H GLN A 90 5.665 -8.037 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 90 4.892 -6.892 -11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.649 -9.742 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.510 -9.264 -11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.993 -8.860 -10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.746 -10.208 -11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.823 -8.103 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.706 -7.318 -12.770 1.00 0.00 H new ATOM 1386 N LYS A 91 2.480 -8.194 -9.305 1.00 0.00 N ATOM 1387 CA LYS A 91 1.036 -8.209 -9.105 1.00 0.00 C ATOM 1388 C LYS A 91 0.449 -6.811 -9.272 1.00 0.00 C ATOM 1389 O LYS A 91 -0.395 -6.580 -10.138 1.00 0.00 O ATOM 1390 CB LYS A 91 0.698 -8.753 -7.715 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.771 -9.097 -7.537 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.217 -8.912 -6.097 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.016 -10.182 -5.284 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.083 -11.186 -5.552 1.00 0.00 N ATOM 0 H LYS A 91 3.008 -8.712 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 91 0.597 -8.861 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.297 -9.644 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.983 -8.014 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.375 -8.466 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.943 -10.129 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.656 -8.095 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.269 -8.627 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.043 -10.614 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.007 -9.936 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.911 -12.037 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.009 -10.783 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.075 -11.440 -6.560 1.00 0.00 H new ATOM 1408 N VAL A 92 0.902 -5.880 -8.438 1.00 0.00 N ATOM 1409 CA VAL A 92 0.424 -4.504 -8.495 1.00 0.00 C ATOM 1410 C VAL A 92 0.465 -3.967 -9.921 1.00 0.00 C ATOM 1411 O VAL A 92 -0.562 -3.584 -10.482 1.00 0.00 O ATOM 1412 CB VAL A 92 1.259 -3.582 -7.587 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.781 -2.142 -7.703 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.196 -4.057 -6.143 1.00 0.00 C ATOM 0 H VAL A 92 1.600 -6.054 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.607 -4.512 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 92 2.298 -3.623 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.383 -1.505 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.882 -1.807 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.265 -2.081 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.792 -3.394 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.161 -4.047 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.590 -5.071 -6.076 1.00 0.00 H new ATOM 1424 N LYS A 93 1.659 -3.941 -10.504 1.00 0.00 N ATOM 1425 CA LYS A 93 1.836 -3.452 -11.866 1.00 0.00 C ATOM 1426 C LYS A 93 0.647 -3.837 -12.741 1.00 0.00 C ATOM 1427 O LYS A 93 -0.073 -2.974 -13.244 1.00 0.00 O ATOM 1428 CB LYS A 93 3.127 -4.012 -12.467 1.00 0.00 C ATOM 1429 CG LYS A 93 4.387 -3.417 -11.863 1.00 0.00 C ATOM 1430 CD LYS A 93 5.632 -4.146 -12.340 1.00 0.00 C ATOM 1431 CE LYS A 93 6.141 -3.578 -13.655 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.598 -2.168 -13.511 1.00 0.00 N ATOM 0 H LYS A 93 2.519 -4.253 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 93 1.901 -2.365 -11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.143 -5.093 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.127 -3.828 -13.541 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.457 -2.363 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.329 -3.467 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.412 -4.069 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.410 -5.206 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.965 -4.191 -14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.350 -3.629 -14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.310 -1.958 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.787 -1.527 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.017 -2.033 -12.569 1.00 0.00 H new ATOM 1446 N LYS A 94 0.444 -5.139 -12.917 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.659 -5.639 -13.728 1.00 0.00 C ATOM 1448 C LYS A 94 -1.972 -4.970 -13.333 1.00 0.00 C ATOM 1449 O LYS A 94 -2.688 -4.435 -14.180 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.783 -7.157 -13.577 1.00 0.00 C ATOM 1451 CG LYS A 94 0.179 -7.936 -14.458 1.00 0.00 C ATOM 1452 CD LYS A 94 0.557 -9.267 -13.830 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.408 -10.370 -14.238 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.115 -11.720 -13.892 1.00 0.00 N ATOM 0 H LYS A 94 1.030 -5.867 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.448 -5.399 -14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.607 -7.426 -12.535 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.804 -7.455 -13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.278 -8.109 -15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.079 -7.344 -14.628 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.569 -9.538 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.562 -9.170 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.367 -10.215 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.590 -10.315 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.571 -12.444 -14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.018 -11.879 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.264 -11.782 -12.865 1.00 0.00 H new ATOM 1468 N THR A 95 -2.282 -5.001 -12.041 1.00 0.00 N ATOM 1469 CA THR A 95 -3.508 -4.398 -11.534 1.00 0.00 C ATOM 1470 C THR A 95 -3.620 -2.939 -11.962 1.00 0.00 C ATOM 1471 O THR A 95 -4.595 -2.544 -12.601 1.00 0.00 O ATOM 1472 CB THR A 95 -3.579 -4.476 -9.997 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.383 -5.828 -9.566 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.920 -3.967 -9.491 1.00 0.00 C ATOM 0 H THR A 95 -1.700 -5.438 -11.326 1.00 0.00 H new ATOM 0 HA THR A 95 -4.337 -4.964 -11.958 1.00 0.00 H new ATOM 0 HB THR A 95 -2.790 -3.846 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.430 -6.052 -9.615 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.947 -4.032 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.054 -2.929 -9.796 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.722 -4.575 -9.910 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.617 -2.143 -11.607 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.603 -0.729 -11.958 1.00 0.00 C ATOM 1484 C ALA A 96 -3.007 -0.520 -13.413 1.00 0.00 C ATOM 1485 O ALA A 96 -3.828 0.343 -13.721 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.226 -0.135 -11.700 1.00 0.00 C ATOM 0 H ALA A 96 -1.803 -2.454 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.331 -0.217 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.230 0.922 -11.967 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.975 -0.242 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.485 -0.659 -12.304 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.424 -1.315 -14.305 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.723 -1.215 -15.728 1.00 0.00 C ATOM 1494 C GLU A 97 -4.230 -1.240 -15.971 1.00 0.00 C ATOM 1495 O GLU A 97 -4.759 -0.437 -16.738 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.053 -2.357 -16.495 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.536 -2.282 -16.495 1.00 0.00 C ATOM 1498 CD GLU A 97 0.079 -2.907 -17.732 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -0.255 -4.072 -18.037 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.894 -2.233 -18.396 1.00 0.00 O ATOM 0 H GLU A 97 -1.742 -2.035 -14.067 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.330 -0.265 -16.089 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.361 -3.307 -16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.409 -2.349 -17.525 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.228 -1.239 -16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.151 -2.786 -15.608 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.914 -2.169 -15.311 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.359 -2.298 -15.452 1.00 0.00 C ATOM 1509 C ALA A 98 -7.054 -0.959 -15.235 1.00 0.00 C ATOM 1510 O ALA A 98 -7.985 -0.607 -15.958 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.893 -3.337 -14.478 1.00 0.00 C ATOM 0 H ALA A 98 -4.491 -2.843 -14.673 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.572 -2.626 -16.469 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.973 -3.423 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.428 -4.301 -14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.661 -3.032 -13.458 1.00 0.00 H new