USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 161:sc= 0.0119 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0.0098 USER MOD Set 2.1: A 23 THR OG1 : rot 111:sc= -0.17 USER MOD Set 2.2: A 30 CYS SG : rot -144:sc= 1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.769 K(o=-0.77,f=-0.099) USER MOD Single : A 40 TYR OH : rot 0:sc= -0.857 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.474 K(o=-0.47,f=-3.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 56 ASN : amide:sc= 0.207 K(o=0.21,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -1.45 (180deg=-5.31!) USER MOD Single : A 71 HIS : no HE2:sc= -9.02! C(o=-9!,f=-8.7!) USER MOD Single : A 73 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 156:sc= -2.36! (180deg=-2.85!) USER MOD Single : A 79 MET CE :methyl 159:sc= -0.245 (180deg=-1.73) USER MOD Single : A 80 HIS : no HE2:sc= -13.2! C(o=-13!,f=-18!) USER MOD Single : A 83 ASN : amide:sc=-0.00931 X(o=-0.0093,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1 K(o=-1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.936 7.904 13.389 1.00 0.00 N ATOM 170 CA ALA A 15 4.737 7.145 13.077 1.00 0.00 C ATOM 171 C ALA A 15 4.521 7.142 11.562 1.00 0.00 C ATOM 172 O ALA A 15 4.308 8.193 10.959 1.00 0.00 O ATOM 173 CB ALA A 15 3.546 7.737 13.834 1.00 0.00 C ATOM 0 HA ALA A 15 4.845 6.109 13.397 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.647 7.168 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.737 7.690 14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.405 8.776 13.536 1.00 0.00 H new ATOM 179 N LEU A 16 4.582 5.948 10.990 1.00 0.00 N ATOM 180 CA LEU A 16 4.396 5.794 9.557 1.00 0.00 C ATOM 181 C LEU A 16 2.943 5.407 9.275 1.00 0.00 C ATOM 182 O LEU A 16 2.255 4.883 10.150 1.00 0.00 O ATOM 183 CB LEU A 16 5.417 4.808 8.987 1.00 0.00 C ATOM 184 CG LEU A 16 6.872 5.033 9.403 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.742 3.832 9.028 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.414 6.339 8.817 1.00 0.00 C ATOM 0 H LEU A 16 4.758 5.078 11.493 1.00 0.00 H new ATOM 0 HA LEU A 16 4.580 6.739 9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.126 3.801 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.361 4.846 7.899 1.00 0.00 H new ATOM 0 HG LEU A 16 6.906 5.128 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.771 4.018 9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.369 2.941 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.707 3.680 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.450 6.475 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.364 6.298 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.815 7.175 9.176 1.00 0.00 H new ATOM 198 N PRO A 17 2.507 5.688 8.017 1.00 0.00 N ATOM 199 CA PRO A 17 1.149 5.375 7.609 1.00 0.00 C ATOM 200 C PRO A 17 0.980 3.873 7.370 1.00 0.00 C ATOM 201 O PRO A 17 1.957 3.166 7.126 1.00 0.00 O ATOM 202 CB PRO A 17 0.913 6.205 6.358 1.00 0.00 C ATOM 203 CG PRO A 17 2.292 6.593 5.849 1.00 0.00 C ATOM 204 CD PRO A 17 3.294 6.308 6.955 1.00 0.00 C ATOM 0 HA PRO A 17 0.413 5.617 8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.366 5.634 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.317 7.089 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.542 6.026 4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.315 7.648 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.086 5.644 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.774 7.224 7.301 1.00 0.00 H new ATOM 212 N VAL A 18 -0.266 3.430 7.448 1.00 0.00 N ATOM 213 CA VAL A 18 -0.575 2.025 7.243 1.00 0.00 C ATOM 214 C VAL A 18 -1.106 1.826 5.822 1.00 0.00 C ATOM 215 O VAL A 18 -2.206 2.271 5.499 1.00 0.00 O ATOM 216 CB VAL A 18 -1.549 1.541 8.318 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.100 0.155 7.976 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.887 1.542 9.698 1.00 0.00 C ATOM 0 H VAL A 18 -1.074 4.019 7.650 1.00 0.00 H new ATOM 0 HA VAL A 18 0.325 1.418 7.342 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.388 2.237 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.790 -0.165 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.626 0.198 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.277 -0.556 7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.601 1.194 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.022 0.879 9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.566 2.554 9.947 1.00 0.00 H new ATOM 228 N LEU A 19 -0.300 1.157 5.011 1.00 0.00 N ATOM 229 CA LEU A 19 -0.675 0.893 3.632 1.00 0.00 C ATOM 230 C LEU A 19 -1.354 -0.475 3.545 1.00 0.00 C ATOM 231 O LEU A 19 -0.710 -1.505 3.736 1.00 0.00 O ATOM 232 CB LEU A 19 0.537 1.038 2.710 1.00 0.00 C ATOM 233 CG LEU A 19 0.257 0.922 1.210 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.130 2.279 0.619 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.444 0.295 0.477 1.00 0.00 C ATOM 0 H LEU A 19 0.612 0.790 5.283 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.399 1.631 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.999 2.007 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.269 0.278 2.983 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.594 0.255 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.324 2.169 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.027 2.649 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.685 2.987 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.218 0.224 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.329 0.915 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.632 -0.702 0.875 1.00 0.00 H new ATOM 247 N THR A 20 -2.647 -0.441 3.257 1.00 0.00 N ATOM 248 CA THR A 20 -3.420 -1.666 3.143 1.00 0.00 C ATOM 249 C THR A 20 -3.192 -2.315 1.777 1.00 0.00 C ATOM 250 O THR A 20 -3.757 -1.879 0.775 1.00 0.00 O ATOM 251 CB THR A 20 -4.887 -1.326 3.416 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.828 -0.323 4.427 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.641 -2.480 4.080 1.00 0.00 C ATOM 0 H THR A 20 -3.178 0.415 3.099 1.00 0.00 H new ATOM 0 HA THR A 20 -3.100 -2.405 3.877 1.00 0.00 H new ATOM 0 HB THR A 20 -5.379 -1.061 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.737 -0.043 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.677 -2.187 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.614 -3.354 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.170 -2.722 5.033 1.00 0.00 H new ATOM 261 N LEU A 21 -2.362 -3.348 1.780 1.00 0.00 N ATOM 262 CA LEU A 21 -2.052 -4.062 0.553 1.00 0.00 C ATOM 263 C LEU A 21 -2.972 -5.278 0.429 1.00 0.00 C ATOM 264 O LEU A 21 -2.984 -6.144 1.302 1.00 0.00 O ATOM 265 CB LEU A 21 -0.563 -4.410 0.497 1.00 0.00 C ATOM 266 CG LEU A 21 -0.188 -5.620 -0.361 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.771 -5.495 -1.770 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.328 -5.828 -0.384 1.00 0.00 C ATOM 0 H LEU A 21 -1.895 -3.707 2.612 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.241 -3.429 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.021 -3.542 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.214 -4.589 1.514 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.628 -6.509 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.490 -6.368 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.858 -5.433 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.382 -4.595 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.567 -6.694 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.810 -4.943 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.688 -5.995 0.631 1.00 0.00 H new ATOM 280 N PHE A 22 -3.721 -5.304 -0.664 1.00 0.00 N ATOM 281 CA PHE A 22 -4.643 -6.399 -0.914 1.00 0.00 C ATOM 282 C PHE A 22 -4.154 -7.275 -2.069 1.00 0.00 C ATOM 283 O PHE A 22 -4.353 -6.939 -3.235 1.00 0.00 O ATOM 284 CB PHE A 22 -5.986 -5.775 -1.296 1.00 0.00 C ATOM 285 CG PHE A 22 -6.748 -5.166 -0.117 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.367 -5.976 0.784 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.805 -3.815 0.031 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.074 -5.410 1.878 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.512 -3.250 1.125 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.131 -4.060 2.026 1.00 0.00 C ATOM 0 H PHE A 22 -3.708 -4.584 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.724 -7.027 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.815 -5.001 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.609 -6.537 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.321 -7.049 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.313 -3.172 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.567 -6.053 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.558 -2.177 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.668 -3.630 2.859 1.00 0.00 H new ATOM 300 N THR A 23 -3.522 -8.381 -1.704 1.00 0.00 N ATOM 301 CA THR A 23 -3.003 -9.308 -2.696 1.00 0.00 C ATOM 302 C THR A 23 -3.933 -10.515 -2.837 1.00 0.00 C ATOM 303 O THR A 23 -4.797 -10.739 -1.991 1.00 0.00 O ATOM 304 CB THR A 23 -1.576 -9.684 -2.290 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.358 -10.945 -2.917 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.453 -9.984 -0.795 1.00 0.00 C ATOM 0 H THR A 23 -3.358 -8.656 -0.736 1.00 0.00 H new ATOM 0 HA THR A 23 -2.966 -8.850 -3.684 1.00 0.00 H new ATOM 0 HB THR A 23 -0.897 -8.873 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.695 -10.845 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.421 -10.245 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.744 -9.104 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.106 -10.817 -0.536 1.00 0.00 H new ATOM 314 N LYS A 24 -3.723 -11.260 -3.912 1.00 0.00 N ATOM 315 CA LYS A 24 -4.532 -12.439 -4.174 1.00 0.00 C ATOM 316 C LYS A 24 -3.752 -13.396 -5.078 1.00 0.00 C ATOM 317 O LYS A 24 -2.609 -13.121 -5.439 1.00 0.00 O ATOM 318 CB LYS A 24 -5.897 -12.037 -4.736 1.00 0.00 C ATOM 319 CG LYS A 24 -5.776 -11.564 -6.186 1.00 0.00 C ATOM 320 CD LYS A 24 -6.961 -12.052 -7.023 1.00 0.00 C ATOM 321 CE LYS A 24 -7.012 -13.581 -7.061 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.630 -14.047 -8.322 1.00 0.00 N ATOM 0 H LYS A 24 -3.005 -11.071 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.739 -12.973 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.580 -12.885 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.326 -11.243 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.730 -10.475 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.845 -11.934 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.890 -11.664 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.880 -11.662 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.004 -13.987 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.583 -13.953 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.376 -15.042 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.664 -13.960 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.285 -13.467 -9.113 1.00 0.00 H new ATOM 385 N LEU A 29 0.543 -10.119 -10.318 1.00 0.00 N ATOM 386 CA LEU A 29 0.596 -8.682 -10.108 1.00 0.00 C ATOM 387 C LEU A 29 0.896 -8.397 -8.635 1.00 0.00 C ATOM 388 O LEU A 29 1.908 -7.777 -8.313 1.00 0.00 O ATOM 389 CB LEU A 29 -0.687 -8.020 -10.614 1.00 0.00 C ATOM 390 CG LEU A 29 -1.187 -8.484 -11.984 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.426 -7.696 -12.411 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.072 -8.411 -13.029 1.00 0.00 C ATOM 0 HA LEU A 29 1.406 -8.241 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.476 -8.196 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.525 -6.943 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.483 -9.530 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.761 -8.045 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.221 -7.844 -11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.180 -6.636 -12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.454 -8.746 -13.993 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.279 -7.383 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.755 -9.052 -12.724 1.00 0.00 H new ATOM 404 N CYS A 30 -0.003 -8.862 -7.780 1.00 0.00 N ATOM 405 CA CYS A 30 0.152 -8.664 -6.349 1.00 0.00 C ATOM 406 C CYS A 30 1.577 -9.064 -5.961 1.00 0.00 C ATOM 407 O CYS A 30 2.107 -8.590 -4.958 1.00 0.00 O ATOM 408 CB CYS A 30 -0.896 -9.443 -5.553 1.00 0.00 C ATOM 409 SG CYS A 30 -0.478 -11.225 -5.544 1.00 0.00 S ATOM 0 H CYS A 30 -0.842 -9.376 -8.051 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.009 -7.614 -6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.942 -9.067 -4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.883 -9.295 -5.992 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.571 -11.927 -5.599 1.00 0.00 H new ATOM 415 N ASP A 31 2.157 -9.933 -6.777 1.00 0.00 N ATOM 416 CA ASP A 31 3.510 -10.402 -6.532 1.00 0.00 C ATOM 417 C ASP A 31 4.497 -9.265 -6.805 1.00 0.00 C ATOM 418 O ASP A 31 5.283 -8.898 -5.934 1.00 0.00 O ATOM 419 CB ASP A 31 3.864 -11.569 -7.456 1.00 0.00 C ATOM 420 CG ASP A 31 4.314 -12.845 -6.743 1.00 0.00 C ATOM 421 OD1 ASP A 31 3.422 -13.662 -6.426 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.539 -12.975 -6.530 1.00 0.00 O ATOM 0 H ASP A 31 1.714 -10.324 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 31 3.570 -10.733 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.995 -11.802 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.657 -11.250 -8.132 1.00 0.00 H new ATOM 427 N GLU A 32 4.424 -8.740 -8.020 1.00 0.00 N ATOM 428 CA GLU A 32 5.301 -7.653 -8.419 1.00 0.00 C ATOM 429 C GLU A 32 5.058 -6.425 -7.539 1.00 0.00 C ATOM 430 O GLU A 32 6.002 -5.839 -7.011 1.00 0.00 O ATOM 431 CB GLU A 32 5.114 -7.313 -9.899 1.00 0.00 C ATOM 432 CG GLU A 32 6.407 -6.763 -10.503 1.00 0.00 C ATOM 433 CD GLU A 32 6.571 -7.219 -11.954 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.016 -6.525 -12.833 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.249 -8.251 -12.152 1.00 0.00 O ATOM 0 H GLU A 32 3.771 -9.048 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 32 6.333 -7.975 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.804 -8.205 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.316 -6.579 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.399 -5.674 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.260 -7.099 -9.914 1.00 0.00 H new ATOM 442 N ALA A 33 3.788 -6.072 -7.408 1.00 0.00 N ATOM 443 CA ALA A 33 3.410 -4.924 -6.601 1.00 0.00 C ATOM 444 C ALA A 33 4.301 -4.864 -5.359 1.00 0.00 C ATOM 445 O ALA A 33 5.038 -3.898 -5.166 1.00 0.00 O ATOM 446 CB ALA A 33 1.924 -5.016 -6.248 1.00 0.00 C ATOM 0 H ALA A 33 3.008 -6.560 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 33 3.557 -3.998 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.640 -4.155 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.333 -5.027 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.740 -5.932 -5.686 1.00 0.00 H new ATOM 452 N LYS A 34 4.204 -5.908 -4.549 1.00 0.00 N ATOM 453 CA LYS A 34 4.993 -5.985 -3.331 1.00 0.00 C ATOM 454 C LYS A 34 6.437 -5.585 -3.637 1.00 0.00 C ATOM 455 O LYS A 34 6.999 -4.717 -2.970 1.00 0.00 O ATOM 456 CB LYS A 34 4.860 -7.370 -2.694 1.00 0.00 C ATOM 457 CG LYS A 34 3.427 -7.622 -2.221 1.00 0.00 C ATOM 458 CD LYS A 34 3.037 -9.089 -2.411 1.00 0.00 C ATOM 459 CE LYS A 34 3.097 -9.848 -1.084 1.00 0.00 C ATOM 460 NZ LYS A 34 4.496 -10.198 -0.750 1.00 0.00 N ATOM 0 H LYS A 34 3.591 -6.707 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 34 4.618 -5.280 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.148 -8.135 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.545 -7.453 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.334 -7.351 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.739 -6.984 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.030 -9.151 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.707 -9.557 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.669 -9.237 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.495 -10.754 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.519 -10.713 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.892 -10.799 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.061 -9.329 -0.668 1.00 0.00 H new ATOM 474 N GLU A 35 6.997 -6.236 -4.646 1.00 0.00 N ATOM 475 CA GLU A 35 8.365 -5.958 -5.049 1.00 0.00 C ATOM 476 C GLU A 35 8.550 -4.461 -5.304 1.00 0.00 C ATOM 477 O GLU A 35 9.646 -3.929 -5.132 1.00 0.00 O ATOM 478 CB GLU A 35 8.750 -6.777 -6.282 1.00 0.00 C ATOM 479 CG GLU A 35 8.302 -8.232 -6.137 1.00 0.00 C ATOM 480 CD GLU A 35 9.277 -9.179 -6.839 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.493 -8.900 -6.762 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.785 -10.161 -7.436 1.00 0.00 O ATOM 0 H GLU A 35 6.528 -6.955 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 35 9.030 -6.252 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.294 -6.339 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.830 -6.738 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.234 -8.492 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.304 -8.353 -6.559 1.00 0.00 H new ATOM 489 N VAL A 36 7.462 -3.824 -5.711 1.00 0.00 N ATOM 490 CA VAL A 36 7.490 -2.398 -5.992 1.00 0.00 C ATOM 491 C VAL A 36 7.433 -1.622 -4.675 1.00 0.00 C ATOM 492 O VAL A 36 7.793 -0.447 -4.627 1.00 0.00 O ATOM 493 CB VAL A 36 6.357 -2.032 -6.952 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.525 -0.606 -7.480 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.267 -3.036 -8.103 1.00 0.00 C ATOM 0 H VAL A 36 6.555 -4.269 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 36 8.420 -2.125 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 36 5.420 -2.075 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.706 -0.371 -8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.515 0.095 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.473 -0.524 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.453 -2.752 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.206 -3.040 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.077 -4.032 -7.703 1.00 0.00 H new ATOM 505 N LEU A 37 6.978 -2.311 -3.638 1.00 0.00 N ATOM 506 CA LEU A 37 6.869 -1.700 -2.324 1.00 0.00 C ATOM 507 C LEU A 37 8.047 -2.152 -1.458 1.00 0.00 C ATOM 508 O LEU A 37 7.987 -2.070 -0.232 1.00 0.00 O ATOM 509 CB LEU A 37 5.501 -1.999 -1.707 1.00 0.00 C ATOM 510 CG LEU A 37 4.293 -1.410 -2.437 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.050 -1.428 -1.545 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.600 -0.006 -2.963 1.00 0.00 C ATOM 0 H LEU A 37 6.681 -3.286 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 37 6.928 -0.614 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.377 -3.081 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.498 -1.628 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 37 4.078 -2.038 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.206 -1.004 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.820 -2.455 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.237 -0.838 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.724 0.389 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.856 0.647 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.439 -0.053 -3.658 1.00 0.00 H new ATOM 524 N GLN A 38 9.089 -2.619 -2.129 1.00 0.00 N ATOM 525 CA GLN A 38 10.279 -3.083 -1.436 1.00 0.00 C ATOM 526 C GLN A 38 11.012 -1.905 -0.792 1.00 0.00 C ATOM 527 O GLN A 38 11.332 -1.942 0.395 1.00 0.00 O ATOM 528 CB GLN A 38 11.202 -3.851 -2.385 1.00 0.00 C ATOM 529 CG GLN A 38 11.095 -5.359 -2.152 1.00 0.00 C ATOM 530 CD GLN A 38 12.482 -5.996 -2.042 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.715 -6.907 -1.265 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.386 -5.468 -2.862 1.00 0.00 N ATOM 0 H GLN A 38 9.134 -2.686 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 38 9.971 -3.769 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.942 -3.620 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.233 -3.529 -2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.529 -5.551 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.543 -5.819 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.124 -4.706 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.342 -5.825 -2.865 1.00 0.00 H new ATOM 541 N PRO A 39 11.263 -0.859 -1.625 1.00 0.00 N ATOM 542 CA PRO A 39 11.952 0.328 -1.149 1.00 0.00 C ATOM 543 C PRO A 39 11.027 1.191 -0.289 1.00 0.00 C ATOM 544 O PRO A 39 11.431 2.248 0.194 1.00 0.00 O ATOM 545 CB PRO A 39 12.427 1.038 -2.407 1.00 0.00 C ATOM 546 CG PRO A 39 11.592 0.474 -3.544 1.00 0.00 C ATOM 547 CD PRO A 39 10.899 -0.780 -3.036 1.00 0.00 C ATOM 0 HA PRO A 39 12.794 0.093 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.293 2.116 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.489 0.862 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.858 1.207 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.223 0.241 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.818 -0.714 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.231 -1.664 -3.581 1.00 0.00 H new ATOM 555 N TYR A 40 9.805 0.708 -0.123 1.00 0.00 N ATOM 556 CA TYR A 40 8.819 1.422 0.671 1.00 0.00 C ATOM 557 C TYR A 40 8.288 0.544 1.805 1.00 0.00 C ATOM 558 O TYR A 40 7.313 0.899 2.466 1.00 0.00 O ATOM 559 CB TYR A 40 7.670 1.754 -0.282 1.00 0.00 C ATOM 560 CG TYR A 40 8.107 2.490 -1.551 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.462 1.774 -2.676 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.145 3.869 -1.571 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.873 2.466 -3.870 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.556 4.561 -2.765 1.00 0.00 C ATOM 565 CZ TYR A 40 8.899 3.825 -3.856 1.00 0.00 C ATOM 566 OH TYR A 40 9.287 4.479 -4.983 1.00 0.00 O ATOM 0 H TYR A 40 9.475 -0.169 -0.525 1.00 0.00 H new ATOM 0 HA TYR A 40 9.260 2.312 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.168 0.829 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.938 2.365 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.432 0.695 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.866 4.430 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.154 1.918 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.591 5.640 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 40 9.505 3.827 -5.681 1.00 0.00 H new ATOM 576 N LYS A 41 8.952 -0.587 1.996 1.00 0.00 N ATOM 577 CA LYS A 41 8.559 -1.519 3.039 1.00 0.00 C ATOM 578 C LYS A 41 8.712 -0.845 4.404 1.00 0.00 C ATOM 579 O LYS A 41 7.943 -1.118 5.325 1.00 0.00 O ATOM 580 CB LYS A 41 9.339 -2.829 2.909 1.00 0.00 C ATOM 581 CG LYS A 41 10.778 -2.661 3.401 1.00 0.00 C ATOM 582 CD LYS A 41 11.465 -4.019 3.559 1.00 0.00 C ATOM 583 CE LYS A 41 12.138 -4.136 4.928 1.00 0.00 C ATOM 584 NZ LYS A 41 12.989 -5.346 4.985 1.00 0.00 N ATOM 0 H LYS A 41 9.760 -0.879 1.446 1.00 0.00 H new ATOM 0 HA LYS A 41 7.508 -1.789 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.843 -3.610 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.342 -3.153 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.338 -2.046 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.781 -2.135 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.732 -4.817 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.208 -4.149 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.743 -3.250 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.380 -4.180 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.438 -5.411 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.403 -6.190 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.724 -5.289 4.251 1.00 0.00 H new ATOM 598 N ASP A 42 9.709 0.023 4.491 1.00 0.00 N ATOM 599 CA ASP A 42 9.973 0.738 5.728 1.00 0.00 C ATOM 600 C ASP A 42 9.327 2.123 5.659 1.00 0.00 C ATOM 601 O ASP A 42 9.199 2.803 6.676 1.00 0.00 O ATOM 602 CB ASP A 42 11.476 0.928 5.945 1.00 0.00 C ATOM 603 CG ASP A 42 12.267 1.310 4.692 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.570 0.385 3.908 1.00 0.00 O ATOM 605 OD2 ASP A 42 12.551 2.518 4.547 1.00 0.00 O ATOM 0 H ASP A 42 10.344 0.247 3.725 1.00 0.00 H new ATOM 0 HA ASP A 42 9.561 0.153 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.624 1.701 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.889 0.004 6.350 1.00 0.00 H new ATOM 610 N ARG A 43 8.936 2.499 4.451 1.00 0.00 N ATOM 611 CA ARG A 43 8.306 3.791 4.236 1.00 0.00 C ATOM 612 C ARG A 43 6.920 3.819 4.882 1.00 0.00 C ATOM 613 O ARG A 43 6.288 4.871 4.958 1.00 0.00 O ATOM 614 CB ARG A 43 8.172 4.096 2.743 1.00 0.00 C ATOM 615 CG ARG A 43 9.488 4.626 2.171 1.00 0.00 C ATOM 616 CD ARG A 43 9.748 6.062 2.630 1.00 0.00 C ATOM 617 NE ARG A 43 10.472 6.058 3.921 1.00 0.00 N ATOM 618 CZ ARG A 43 10.636 7.140 4.694 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.128 8.320 4.311 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.307 7.043 5.849 1.00 0.00 N ATOM 0 H ARG A 43 9.043 1.932 3.610 1.00 0.00 H new ATOM 0 HA ARG A 43 8.940 4.550 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.877 3.193 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.382 4.831 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.311 3.985 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.456 4.589 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.332 6.593 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.803 6.596 2.735 1.00 0.00 H new ATOM 0 HE ARG A 43 10.871 5.176 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.617 8.394 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.253 9.144 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.693 6.145 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.432 7.867 6.437 1.00 0.00 H new ATOM 634 N PHE A 44 6.487 2.650 5.331 1.00 0.00 N ATOM 635 CA PHE A 44 5.187 2.527 5.969 1.00 0.00 C ATOM 636 C PHE A 44 4.907 1.077 6.368 1.00 0.00 C ATOM 637 O PHE A 44 5.717 0.190 6.106 1.00 0.00 O ATOM 638 CB PHE A 44 4.143 2.973 4.943 1.00 0.00 C ATOM 639 CG PHE A 44 4.307 2.326 3.567 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.171 0.980 3.427 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.588 3.096 2.482 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.323 0.379 2.150 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.740 2.496 1.204 1.00 0.00 C ATOM 644 CZ PHE A 44 4.605 1.150 1.065 1.00 0.00 C ATOM 0 H PHE A 44 7.014 1.779 5.266 1.00 0.00 H new ATOM 0 HA PHE A 44 5.156 3.136 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.149 2.741 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.197 4.056 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.947 0.368 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.696 4.165 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.215 -0.690 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.963 3.108 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.722 0.693 0.093 1.00 0.00 H new ATOM 654 N ILE A 45 3.757 0.882 6.996 1.00 0.00 N ATOM 655 CA ILE A 45 3.359 -0.445 7.434 1.00 0.00 C ATOM 656 C ILE A 45 2.513 -1.106 6.343 1.00 0.00 C ATOM 657 O ILE A 45 1.324 -0.818 6.215 1.00 0.00 O ATOM 658 CB ILE A 45 2.662 -0.374 8.794 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.616 0.140 9.873 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.049 -1.726 9.167 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.870 0.981 10.910 1.00 0.00 C ATOM 0 H ILE A 45 3.088 1.621 7.212 1.00 0.00 H new ATOM 0 HA ILE A 45 4.236 -1.075 7.584 1.00 0.00 H new ATOM 0 HB ILE A 45 1.843 0.342 8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.102 -0.703 10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.403 0.738 9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.560 -1.648 10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.316 -2.013 8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.834 -2.480 9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.572 1.334 11.666 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.405 1.836 10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.100 0.373 11.386 1.00 0.00 H new ATOM 673 N LEU A 46 3.160 -1.978 5.584 1.00 0.00 N ATOM 674 CA LEU A 46 2.483 -2.682 4.508 1.00 0.00 C ATOM 675 C LEU A 46 1.563 -3.750 5.103 1.00 0.00 C ATOM 676 O LEU A 46 2.032 -4.786 5.573 1.00 0.00 O ATOM 677 CB LEU A 46 3.498 -3.234 3.506 1.00 0.00 C ATOM 678 CG LEU A 46 2.915 -3.885 2.250 1.00 0.00 C ATOM 679 CD1 LEU A 46 2.073 -2.885 1.455 1.00 0.00 C ATOM 680 CD2 LEU A 46 4.018 -4.513 1.396 1.00 0.00 C ATOM 0 H LEU A 46 4.147 -2.213 5.693 1.00 0.00 H new ATOM 0 HA LEU A 46 1.852 -1.996 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.154 -2.420 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.120 -3.969 4.017 1.00 0.00 H new ATOM 0 HG LEU A 46 2.250 -4.691 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.670 -3.373 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.252 -2.526 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.696 -2.042 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.577 -4.969 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.727 -3.742 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.537 -5.276 1.976 1.00 0.00 H new ATOM 692 N GLN A 47 0.271 -3.461 5.064 1.00 0.00 N ATOM 693 CA GLN A 47 -0.719 -4.384 5.593 1.00 0.00 C ATOM 694 C GLN A 47 -1.251 -5.288 4.479 1.00 0.00 C ATOM 695 O GLN A 47 -2.133 -4.890 3.720 1.00 0.00 O ATOM 696 CB GLN A 47 -1.859 -3.631 6.280 1.00 0.00 C ATOM 697 CG GLN A 47 -2.452 -4.457 7.423 1.00 0.00 C ATOM 698 CD GLN A 47 -3.736 -3.816 7.955 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.560 -3.307 7.213 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.858 -3.868 9.278 1.00 0.00 N ATOM 0 H GLN A 47 -0.114 -2.600 4.674 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.238 -5.011 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.491 -2.681 6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.637 -3.399 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.664 -5.468 7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.724 -4.544 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.130 -4.309 9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.679 -3.467 9.731 1.00 0.00 H new ATOM 709 N GLU A 48 -0.693 -6.488 4.417 1.00 0.00 N ATOM 710 CA GLU A 48 -1.100 -7.452 3.408 1.00 0.00 C ATOM 711 C GLU A 48 -2.405 -8.134 3.823 1.00 0.00 C ATOM 712 O GLU A 48 -2.418 -8.948 4.745 1.00 0.00 O ATOM 713 CB GLU A 48 0.002 -8.482 3.157 1.00 0.00 C ATOM 714 CG GLU A 48 0.832 -8.109 1.927 1.00 0.00 C ATOM 715 CD GLU A 48 2.322 -8.348 2.178 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.767 -9.487 1.919 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.984 -7.385 2.624 1.00 0.00 O ATOM 0 H GLU A 48 0.038 -6.815 5.049 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.272 -6.919 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.650 -8.547 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.442 -9.467 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.505 -8.699 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.665 -7.062 1.675 1.00 0.00 H new ATOM 724 N VAL A 49 -3.471 -7.778 3.121 1.00 0.00 N ATOM 725 CA VAL A 49 -4.778 -8.346 3.405 1.00 0.00 C ATOM 726 C VAL A 49 -5.084 -9.445 2.386 1.00 0.00 C ATOM 727 O VAL A 49 -4.994 -9.221 1.180 1.00 0.00 O ATOM 728 CB VAL A 49 -5.835 -7.241 3.428 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.236 -7.826 3.621 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.521 -6.203 4.507 1.00 0.00 C ATOM 0 H VAL A 49 -3.456 -7.103 2.356 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.788 -8.807 4.393 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.813 -6.737 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.969 -7.019 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.462 -8.508 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.277 -8.368 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.288 -5.429 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.501 -6.687 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.549 -5.752 4.306 1.00 0.00 H new ATOM 740 N ASP A 50 -5.439 -10.610 2.908 1.00 0.00 N ATOM 741 CA ASP A 50 -5.758 -11.745 2.058 1.00 0.00 C ATOM 742 C ASP A 50 -7.236 -11.683 1.667 1.00 0.00 C ATOM 743 O ASP A 50 -8.109 -12.012 2.470 1.00 0.00 O ATOM 744 CB ASP A 50 -5.518 -13.066 2.791 1.00 0.00 C ATOM 745 CG ASP A 50 -4.141 -13.692 2.560 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.507 -13.312 1.552 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.754 -14.537 3.396 1.00 0.00 O ATOM 0 H ASP A 50 -5.513 -10.793 3.909 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.116 -11.699 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.651 -12.900 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.282 -13.780 2.482 1.00 0.00 H new ATOM 752 N ILE A 51 -7.472 -11.260 0.434 1.00 0.00 N ATOM 753 CA ILE A 51 -8.829 -11.151 -0.073 1.00 0.00 C ATOM 754 C ILE A 51 -9.306 -12.527 -0.541 1.00 0.00 C ATOM 755 O ILE A 51 -10.506 -12.760 -0.675 1.00 0.00 O ATOM 756 CB ILE A 51 -8.912 -10.071 -1.154 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.019 -10.418 -2.346 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.587 -8.692 -0.576 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.441 -9.638 -3.593 1.00 0.00 C ATOM 0 H ILE A 51 -6.746 -10.989 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.507 -10.830 0.718 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.938 -10.033 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.980 -10.191 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.073 -11.488 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.653 -7.942 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.299 -8.452 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.577 -8.698 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.790 -9.903 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.472 -9.886 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.362 -8.569 -3.397 1.00 0.00 H new ATOM 771 N THR A 52 -8.341 -13.404 -0.778 1.00 0.00 N ATOM 772 CA THR A 52 -8.647 -14.751 -1.228 1.00 0.00 C ATOM 773 C THR A 52 -9.368 -15.530 -0.127 1.00 0.00 C ATOM 774 O THR A 52 -9.879 -16.623 -0.368 1.00 0.00 O ATOM 775 CB THR A 52 -7.341 -15.406 -1.681 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.440 -15.167 -0.603 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.702 -14.680 -2.867 1.00 0.00 C ATOM 0 H THR A 52 -7.346 -13.207 -0.667 1.00 0.00 H new ATOM 0 HA THR A 52 -9.332 -14.739 -2.076 1.00 0.00 H new ATOM 0 HB THR A 52 -7.531 -16.445 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.567 -15.561 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.778 -15.186 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.391 -14.686 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.481 -13.650 -2.587 1.00 0.00 H new ATOM 785 N LEU A 53 -9.385 -14.939 1.058 1.00 0.00 N ATOM 786 CA LEU A 53 -10.035 -15.564 2.198 1.00 0.00 C ATOM 787 C LEU A 53 -11.542 -15.314 2.120 1.00 0.00 C ATOM 788 O LEU A 53 -11.989 -14.397 1.432 1.00 0.00 O ATOM 789 CB LEU A 53 -9.399 -15.088 3.505 1.00 0.00 C ATOM 790 CG LEU A 53 -8.059 -15.729 3.872 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.370 -14.955 4.997 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.237 -17.209 4.220 1.00 0.00 C ATOM 0 H LEU A 53 -8.959 -14.033 1.254 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.889 -16.644 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.259 -14.009 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.102 -15.274 4.317 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.406 -15.679 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.420 -15.432 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.190 -13.929 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.009 -14.951 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.270 -17.641 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.914 -17.304 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.654 -17.737 3.362 1.00 0.00 H new ATOM 804 N PRO A 54 -12.305 -16.168 2.854 1.00 0.00 N ATOM 805 CA PRO A 54 -13.753 -16.049 2.875 1.00 0.00 C ATOM 806 C PRO A 54 -14.193 -14.862 3.735 1.00 0.00 C ATOM 807 O PRO A 54 -15.055 -14.083 3.330 1.00 0.00 O ATOM 808 CB PRO A 54 -14.250 -17.383 3.407 1.00 0.00 C ATOM 809 CG PRO A 54 -13.059 -18.026 4.098 1.00 0.00 C ATOM 810 CD PRO A 54 -11.811 -17.265 3.681 1.00 0.00 C ATOM 0 HA PRO A 54 -14.172 -15.847 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.076 -17.242 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.619 -18.013 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.182 -17.993 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.977 -19.076 3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.266 -16.893 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.126 -17.903 3.124 1.00 0.00 H new ATOM 818 N GLU A 55 -13.581 -14.760 4.905 1.00 0.00 N ATOM 819 CA GLU A 55 -13.899 -13.682 5.825 1.00 0.00 C ATOM 820 C GLU A 55 -13.560 -12.329 5.195 1.00 0.00 C ATOM 821 O GLU A 55 -14.087 -11.298 5.609 1.00 0.00 O ATOM 822 CB GLU A 55 -13.168 -13.864 7.157 1.00 0.00 C ATOM 823 CG GLU A 55 -11.656 -13.719 6.977 1.00 0.00 C ATOM 824 CD GLU A 55 -10.906 -14.222 8.213 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.062 -15.423 8.522 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.193 -13.393 8.820 1.00 0.00 O ATOM 0 H GLU A 55 -12.866 -15.407 5.237 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.969 -13.709 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.525 -13.126 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.396 -14.847 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.335 -14.280 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.406 -12.674 6.796 1.00 0.00 H new ATOM 833 N ASN A 56 -12.683 -12.378 4.203 1.00 0.00 N ATOM 834 CA ASN A 56 -12.268 -11.169 3.511 1.00 0.00 C ATOM 835 C ASN A 56 -12.879 -11.154 2.109 1.00 0.00 C ATOM 836 O ASN A 56 -12.593 -10.261 1.312 1.00 0.00 O ATOM 837 CB ASN A 56 -10.746 -11.114 3.364 1.00 0.00 C ATOM 838 CG ASN A 56 -10.064 -11.053 4.732 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.533 -10.414 5.660 1.00 0.00 O ATOM 840 ND2 ASN A 56 -8.935 -11.752 4.805 1.00 0.00 N ATOM 0 H ASN A 56 -12.248 -13.235 3.862 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.605 -10.313 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.398 -11.992 2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.465 -10.241 2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.405 -11.776 5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.599 -12.265 3.990 1.00 0.00 H new ATOM 847 N SER A 57 -13.711 -12.153 1.850 1.00 0.00 N ATOM 848 CA SER A 57 -14.365 -12.265 0.557 1.00 0.00 C ATOM 849 C SER A 57 -14.910 -10.902 0.126 1.00 0.00 C ATOM 850 O SER A 57 -14.940 -10.590 -1.063 1.00 0.00 O ATOM 851 CB SER A 57 -15.493 -13.299 0.599 1.00 0.00 C ATOM 852 OG SER A 57 -15.921 -13.674 -0.707 1.00 0.00 O ATOM 0 H SER A 57 -13.947 -12.891 2.513 1.00 0.00 H new ATOM 0 HA SER A 57 -13.627 -12.601 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.154 -14.184 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.338 -12.892 1.155 1.00 0.00 H new ATOM 0 HG SER A 57 -16.640 -14.336 -0.638 1.00 0.00 H new ATOM 858 N THR A 58 -15.327 -10.127 1.116 1.00 0.00 N ATOM 859 CA THR A 58 -15.869 -8.805 0.854 1.00 0.00 C ATOM 860 C THR A 58 -14.839 -7.941 0.123 1.00 0.00 C ATOM 861 O THR A 58 -15.123 -7.398 -0.943 1.00 0.00 O ATOM 862 CB THR A 58 -16.325 -8.208 2.187 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.600 -8.802 2.415 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.624 -6.711 2.087 1.00 0.00 C ATOM 0 H THR A 58 -15.300 -10.389 2.101 1.00 0.00 H new ATOM 0 HA THR A 58 -16.733 -8.857 0.191 1.00 0.00 H new ATOM 0 HB THR A 58 -15.556 -8.375 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.968 -8.471 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.943 -6.338 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.725 -6.181 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.417 -6.546 1.357 1.00 0.00 H new ATOM 872 N TRP A 59 -13.663 -7.841 0.726 1.00 0.00 N ATOM 873 CA TRP A 59 -12.589 -7.053 0.146 1.00 0.00 C ATOM 874 C TRP A 59 -12.437 -7.468 -1.319 1.00 0.00 C ATOM 875 O TRP A 59 -12.291 -6.618 -2.196 1.00 0.00 O ATOM 876 CB TRP A 59 -11.297 -7.211 0.950 1.00 0.00 C ATOM 877 CG TRP A 59 -11.235 -6.339 2.206 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.251 -6.735 3.486 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.145 -4.900 2.250 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.179 -5.660 4.348 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.112 -4.508 3.572 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.093 -3.959 1.206 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.027 -3.170 3.974 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.008 -2.626 1.624 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.974 -2.215 2.951 1.00 0.00 C ATOM 0 H TRP A 59 -13.431 -8.293 1.610 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.826 -5.990 0.184 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.187 -8.256 1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.450 -6.967 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.312 -7.766 3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.176 -5.702 5.367 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.117 -4.243 0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.004 -2.889 5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.966 -1.863 0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.907 -1.164 3.192 1.00 0.00 H new ATOM 896 N TYR A 60 -12.476 -8.774 -1.538 1.00 0.00 N ATOM 897 CA TYR A 60 -12.343 -9.312 -2.881 1.00 0.00 C ATOM 898 C TYR A 60 -13.555 -8.945 -3.740 1.00 0.00 C ATOM 899 O TYR A 60 -13.406 -8.350 -4.807 1.00 0.00 O ATOM 900 CB TYR A 60 -12.288 -10.833 -2.723 1.00 0.00 C ATOM 901 CG TYR A 60 -11.896 -11.577 -4.001 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.866 -11.936 -4.915 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.574 -11.891 -4.239 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.498 -12.637 -6.118 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.205 -12.592 -5.442 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.186 -12.930 -6.322 1.00 0.00 C ATOM 907 OH TYR A 60 -10.838 -13.592 -7.458 1.00 0.00 O ATOM 0 H TYR A 60 -12.598 -9.476 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.455 -8.910 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.575 -11.081 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.264 -11.189 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.901 -11.691 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.815 -11.611 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.247 -12.923 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.174 -12.843 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.466 -13.364 -8.175 1.00 0.00 H new ATOM 917 N GLU A 61 -14.726 -9.314 -3.244 1.00 0.00 N ATOM 918 CA GLU A 61 -15.963 -9.030 -3.953 1.00 0.00 C ATOM 919 C GLU A 61 -15.970 -7.583 -4.449 1.00 0.00 C ATOM 920 O GLU A 61 -16.495 -7.294 -5.523 1.00 0.00 O ATOM 921 CB GLU A 61 -17.179 -9.313 -3.069 1.00 0.00 C ATOM 922 CG GLU A 61 -17.352 -10.816 -2.839 1.00 0.00 C ATOM 923 CD GLU A 61 -18.831 -11.208 -2.867 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.576 -10.557 -3.631 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.182 -12.150 -2.125 1.00 0.00 O ATOM 0 H GLU A 61 -14.845 -9.807 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.023 -9.690 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.063 -8.806 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.076 -8.908 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.811 -11.370 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.917 -11.093 -1.879 1.00 0.00 H new ATOM 932 N ARG A 62 -15.382 -6.711 -3.643 1.00 0.00 N ATOM 933 CA ARG A 62 -15.314 -5.301 -3.987 1.00 0.00 C ATOM 934 C ARG A 62 -14.058 -5.016 -4.813 1.00 0.00 C ATOM 935 O ARG A 62 -14.046 -4.100 -5.634 1.00 0.00 O ATOM 936 CB ARG A 62 -15.299 -4.428 -2.731 1.00 0.00 C ATOM 937 CG ARG A 62 -13.994 -4.611 -1.952 1.00 0.00 C ATOM 938 CD ARG A 62 -13.793 -3.475 -0.946 1.00 0.00 C ATOM 939 NE ARG A 62 -14.082 -2.173 -1.588 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.440 -1.069 -0.920 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.557 -1.102 0.415 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.683 0.068 -1.585 1.00 0.00 N ATOM 0 H ARG A 62 -14.948 -6.954 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.201 -5.060 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.416 -3.381 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.146 -4.685 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.010 -5.567 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.153 -4.641 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.448 -3.619 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.769 -3.486 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.004 -2.113 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.373 -1.968 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.830 -0.261 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.595 0.093 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.956 0.909 -1.075 1.00 0.00 H new ATOM 956 N TYR A 63 -13.032 -5.818 -4.567 1.00 0.00 N ATOM 957 CA TYR A 63 -11.774 -5.663 -5.278 1.00 0.00 C ATOM 958 C TYR A 63 -11.240 -7.017 -5.749 1.00 0.00 C ATOM 959 O TYR A 63 -10.219 -7.492 -5.254 1.00 0.00 O ATOM 960 CB TYR A 63 -10.792 -5.062 -4.271 1.00 0.00 C ATOM 961 CG TYR A 63 -11.110 -3.619 -3.877 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.434 -2.693 -4.848 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.073 -3.242 -2.550 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.733 -1.334 -4.477 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.372 -1.883 -2.178 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.687 -0.997 -3.160 1.00 0.00 C ATOM 967 OH TYR A 63 -11.970 0.287 -2.809 1.00 0.00 O ATOM 0 H TYR A 63 -13.046 -6.577 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.906 -5.035 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.785 -5.680 -3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.787 -5.100 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.463 -2.988 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.820 -3.966 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.988 -0.600 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.347 -1.575 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.900 0.383 -1.836 1.00 0.00 H new ATOM 977 N LYS A 64 -11.955 -7.602 -6.699 1.00 0.00 N ATOM 978 CA LYS A 64 -11.565 -8.892 -7.242 1.00 0.00 C ATOM 979 C LYS A 64 -10.926 -8.690 -8.617 1.00 0.00 C ATOM 980 O LYS A 64 -10.246 -9.580 -9.126 1.00 0.00 O ATOM 981 CB LYS A 64 -12.758 -9.851 -7.253 1.00 0.00 C ATOM 982 CG LYS A 64 -13.871 -9.331 -8.164 1.00 0.00 C ATOM 983 CD LYS A 64 -15.123 -10.204 -8.054 1.00 0.00 C ATOM 984 CE LYS A 64 -16.380 -9.343 -7.912 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.218 -9.830 -6.794 1.00 0.00 N ATOM 0 H LYS A 64 -12.802 -7.206 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.814 -9.361 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.435 -10.835 -7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.140 -9.973 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.115 -8.303 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.523 -9.316 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.209 -10.836 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.033 -10.868 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.099 -8.304 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.951 -9.367 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.122 -10.183 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.723 -10.599 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.398 -9.050 -6.130 1.00 0.00 H new ATOM 999 N PHE A 65 -11.167 -7.515 -9.180 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.624 -7.185 -10.486 1.00 0.00 C ATOM 1001 C PHE A 65 -9.974 -5.800 -10.476 1.00 0.00 C ATOM 1002 O PHE A 65 -9.552 -5.301 -11.518 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.796 -7.179 -11.470 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.101 -6.642 -10.879 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.208 -5.328 -10.549 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.154 -7.481 -10.683 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.420 -4.830 -10.000 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.366 -6.983 -10.135 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.473 -5.668 -9.805 1.00 0.00 C ATOM 0 H PHE A 65 -11.732 -6.779 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.862 -7.912 -10.766 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.526 -6.576 -12.337 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.962 -8.195 -11.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.372 -4.662 -10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.068 -8.525 -10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.505 -3.786 -9.738 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.202 -7.648 -9.980 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.394 -5.289 -9.388 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.914 -5.218 -9.287 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.324 -3.901 -9.127 1.00 0.00 C ATOM 1021 C ASP A 66 -8.099 -4.002 -8.215 1.00 0.00 C ATOM 1022 O ASP A 66 -7.764 -3.051 -7.512 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.313 -2.928 -8.483 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.789 -3.283 -8.677 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.170 -4.386 -8.230 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.502 -2.443 -9.267 1.00 0.00 O ATOM 0 H ASP A 66 -10.265 -5.635 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.049 -3.534 -10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.105 -2.876 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.138 -1.932 -8.891 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.465 -5.165 -8.257 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.285 -5.404 -7.443 1.00 0.00 C ATOM 1033 C ILE A 67 -5.051 -5.457 -8.345 1.00 0.00 C ATOM 1034 O ILE A 67 -5.171 -5.628 -9.558 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.472 -6.655 -6.582 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.495 -7.604 -7.209 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.843 -6.281 -5.145 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.665 -8.865 -6.360 1.00 0.00 C ATOM 0 H ILE A 67 -7.746 -5.952 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.133 -4.583 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.522 -7.187 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.454 -7.096 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.174 -7.878 -8.214 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.970 -7.188 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.049 -5.673 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.774 -5.715 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.398 -9.523 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.709 -9.383 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.010 -8.589 -5.363 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.862 -5.304 -7.703 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.809 -5.106 -6.264 1.00 0.00 C ATOM 1052 C PRO A 68 -4.234 -3.685 -5.890 1.00 0.00 C ATOM 1053 O PRO A 68 -3.999 -2.743 -6.646 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.373 -5.418 -5.877 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.565 -5.326 -7.162 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.542 -5.315 -8.327 1.00 0.00 C ATOM 0 HA PRO A 68 -4.502 -5.752 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.006 -4.710 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.294 -6.412 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.956 -4.422 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.882 -6.171 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.395 -4.439 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.411 -6.191 -8.962 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.852 -3.574 -4.724 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.312 -2.283 -4.240 1.00 0.00 C ATOM 1066 C VAL A 69 -4.364 -1.786 -3.148 1.00 0.00 C ATOM 1067 O VAL A 69 -3.736 -2.585 -2.454 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.764 -2.388 -3.769 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.178 -1.140 -2.987 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.707 -2.634 -4.949 1.00 0.00 C ATOM 0 H VAL A 69 -5.045 -4.357 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.297 -1.546 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.838 -3.244 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.214 -1.240 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.535 -1.028 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.080 -0.262 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.733 -2.705 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.628 -1.808 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.433 -3.565 -5.446 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.290 -0.468 -3.028 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.429 0.145 -2.031 1.00 0.00 C ATOM 1082 C PHE A 70 -4.137 1.310 -1.337 1.00 0.00 C ATOM 1083 O PHE A 70 -4.511 2.288 -1.982 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.200 0.679 -2.770 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.349 -0.408 -3.429 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.633 -0.820 -4.694 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.309 -0.963 -2.751 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.843 -1.829 -5.306 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.480 -1.972 -3.363 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.197 -2.384 -4.628 1.00 0.00 C ATOM 0 H PHE A 70 -4.812 0.192 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.161 -0.588 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.526 1.384 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.580 1.236 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.459 -0.380 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.083 -0.636 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.068 -2.156 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.305 -2.413 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.798 -3.151 -5.094 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.301 1.166 -0.030 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.958 2.194 0.760 1.00 0.00 C ATOM 1102 C HIS A 71 -3.943 2.846 1.701 1.00 0.00 C ATOM 1103 O HIS A 71 -3.369 2.178 2.559 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.169 1.620 1.499 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.233 1.054 0.589 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.412 0.508 1.063 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.283 0.957 -0.771 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.132 0.102 0.027 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.430 0.381 -1.108 1.00 0.00 N ATOM 0 H HIS A 71 -3.990 0.353 0.502 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.343 2.973 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.830 0.836 2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.611 2.404 2.114 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.682 0.431 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.519 1.292 -1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.104 -0.367 0.074 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.753 4.143 1.507 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.817 4.892 2.328 1.00 0.00 C ATOM 1119 C LEU A 72 -3.595 5.725 3.349 1.00 0.00 C ATOM 1120 O LEU A 72 -4.296 6.667 2.982 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.876 5.719 1.449 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.381 5.545 1.720 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.420 6.713 1.141 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.113 5.350 3.214 1.00 0.00 C ATOM 0 H LEU A 72 -4.231 4.694 0.794 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.176 4.213 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.068 5.466 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.127 6.772 1.572 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.045 4.641 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.480 6.565 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.264 6.763 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.088 7.645 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.958 5.229 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.468 6.221 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.637 4.461 3.565 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.445 5.348 4.610 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.125 6.048 5.687 1.00 0.00 C ATOM 1138 C ASN A 73 -5.616 5.711 5.647 1.00 0.00 C ATOM 1139 O ASN A 73 -6.450 6.519 6.055 1.00 0.00 O ATOM 1140 CB ASN A 73 -3.978 7.564 5.536 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.315 8.176 6.772 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.941 8.410 7.793 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -2.016 8.420 6.624 1.00 0.00 N ATOM 0 H ASN A 73 -2.862 4.567 4.910 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.677 5.734 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.383 7.789 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.959 8.015 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.483 8.827 7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.553 8.200 5.742 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.908 4.518 5.151 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.285 4.064 5.053 1.00 0.00 C ATOM 1152 C GLY A 74 -8.028 4.805 3.939 1.00 0.00 C ATOM 1153 O GLY A 74 -9.200 5.145 4.090 1.00 0.00 O ATOM 0 H GLY A 74 -5.214 3.851 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.305 2.992 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.793 4.225 6.004 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.315 5.033 2.846 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.892 5.728 1.708 1.00 0.00 C ATOM 1159 C GLN A 75 -7.245 5.245 0.408 1.00 0.00 C ATOM 1160 O GLN A 75 -6.043 5.411 0.210 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.751 7.243 1.860 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.103 7.893 2.163 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.957 9.406 2.339 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.691 9.908 3.418 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -9.146 10.101 1.221 1.00 0.00 N ATOM 0 H GLN A 75 -6.343 4.749 2.724 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.957 5.498 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.048 7.468 2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.337 7.667 0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.801 7.683 1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.525 7.457 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.366 9.617 0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.071 11.118 1.234 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.072 4.657 -0.444 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.596 4.149 -1.720 1.00 0.00 C ATOM 1176 C PHE A 76 -6.548 5.084 -2.325 1.00 0.00 C ATOM 1177 O PHE A 76 -6.888 6.132 -2.874 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.805 4.083 -2.655 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.463 4.302 -4.130 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.546 3.506 -4.741 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -9.077 5.293 -4.830 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.229 3.709 -6.110 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.760 5.496 -6.199 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.842 4.700 -6.810 1.00 0.00 C ATOM 0 H PHE A 76 -9.069 4.521 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.135 3.171 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.284 3.110 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.532 4.834 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.058 2.719 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.806 5.926 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.501 3.076 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.248 6.283 -6.755 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.600 4.855 -7.851 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.294 4.673 -2.206 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.194 5.461 -2.735 1.00 0.00 C ATOM 1196 C LEU A 77 -4.041 5.176 -4.231 1.00 0.00 C ATOM 1197 O LEU A 77 -3.853 6.096 -5.025 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.918 5.210 -1.928 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.685 4.799 -2.735 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.033 6.014 -3.398 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.695 4.021 -1.864 1.00 0.00 C ATOM 0 H LEU A 77 -5.015 3.804 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.405 6.526 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.679 6.117 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.123 4.431 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.006 4.131 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.159 5.694 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.748 6.489 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.727 6.726 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.173 3.740 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.375 4.646 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.177 3.122 -1.480 1.00 0.00 H new ATOM 1213 N MET A 78 -4.129 3.899 -4.570 1.00 0.00 N ATOM 1214 CA MET A 78 -4.003 3.481 -5.956 1.00 0.00 C ATOM 1215 C MET A 78 -4.248 1.978 -6.100 1.00 0.00 C ATOM 1216 O MET A 78 -3.958 1.207 -5.187 1.00 0.00 O ATOM 1217 CB MET A 78 -2.601 3.822 -6.466 1.00 0.00 C ATOM 1218 CG MET A 78 -1.564 2.844 -5.911 1.00 0.00 C ATOM 1219 SD MET A 78 0.078 3.511 -6.124 1.00 0.00 S ATOM 1220 CE MET A 78 0.968 2.533 -4.924 1.00 0.00 C ATOM 0 H MET A 78 -4.286 3.139 -3.908 1.00 0.00 H new ATOM 0 HA MET A 78 -4.752 4.010 -6.545 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.589 3.791 -7.555 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.341 4.839 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.756 2.658 -4.854 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.645 1.885 -6.423 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.022 2.493 -5.197 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.866 2.986 -3.938 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.560 1.522 -4.903 1.00 0.00 H new ATOM 1230 N MET A 79 -4.781 1.606 -7.255 1.00 0.00 N ATOM 1231 CA MET A 79 -5.069 0.209 -7.531 1.00 0.00 C ATOM 1232 C MET A 79 -4.824 -0.120 -9.005 1.00 0.00 C ATOM 1233 O MET A 79 -4.833 0.770 -9.854 1.00 0.00 O ATOM 1234 CB MET A 79 -6.526 -0.092 -7.176 1.00 0.00 C ATOM 1235 CG MET A 79 -7.482 0.754 -8.018 1.00 0.00 C ATOM 1236 SD MET A 79 -9.172 0.293 -7.674 1.00 0.00 S ATOM 1237 CE MET A 79 -9.848 1.888 -7.247 1.00 0.00 C ATOM 0 H MET A 79 -5.021 2.248 -8.010 1.00 0.00 H new ATOM 0 HA MET A 79 -4.404 -0.406 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.732 -1.150 -7.338 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.695 0.107 -6.118 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.333 1.811 -7.799 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.267 0.614 -9.077 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.931 1.868 -7.366 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.601 2.123 -6.212 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.425 2.650 -7.902 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.610 -1.402 -9.264 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.363 -1.860 -10.621 1.00 0.00 C ATOM 1249 C HIS A 80 -2.868 -1.766 -10.930 1.00 0.00 C ATOM 1250 O HIS A 80 -2.456 -1.933 -12.077 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.225 -1.087 -11.621 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.643 -0.851 -11.156 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.451 0.140 -11.687 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.387 -1.488 -10.207 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.626 0.093 -11.077 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.584 -0.916 -10.160 1.00 0.00 N ATOM 0 H HIS A 80 -4.603 -2.138 -8.557 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.653 -2.907 -10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.755 -0.125 -11.823 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.249 -1.634 -12.564 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.187 0.795 -12.423 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.058 -2.317 -9.597 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.469 0.740 -11.271 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.096 -1.499 -9.887 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.655 -1.381 -10.033 1.00 0.00 C ATOM 1266 C ARG A 81 -0.052 -0.701 -8.802 1.00 0.00 C ATOM 1267 O ARG A 81 -0.716 -0.562 -7.777 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.292 -0.575 -11.282 1.00 0.00 C ATOM 1269 CG ARG A 81 0.437 -1.448 -12.305 1.00 0.00 C ATOM 1270 CD ARG A 81 0.198 -0.941 -13.728 1.00 0.00 C ATOM 1271 NE ARG A 81 1.483 -0.548 -14.348 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.599 -0.057 -15.589 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.509 0.103 -16.351 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.806 0.272 -16.069 1.00 0.00 N ATOM 0 H ARG A 81 -2.441 -1.361 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.248 -2.387 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.197 -0.163 -11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.339 0.269 -11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.506 -1.450 -12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.093 -2.479 -12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.280 -1.718 -14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.482 -0.089 -13.710 1.00 0.00 H new ATOM 0 HE ARG A 81 2.334 -0.658 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.410 -0.149 -15.986 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.598 0.477 -17.296 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.636 0.149 -15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.895 0.646 -17.014 1.00 0.00 H new ATOM 1288 N VAL A 82 1.202 -0.296 -8.945 1.00 0.00 N ATOM 1289 CA VAL A 82 1.903 0.366 -7.858 1.00 0.00 C ATOM 1290 C VAL A 82 2.658 1.578 -8.407 1.00 0.00 C ATOM 1291 O VAL A 82 3.864 1.509 -8.640 1.00 0.00 O ATOM 1292 CB VAL A 82 2.814 -0.631 -7.139 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.411 -0.013 -5.873 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.064 -1.924 -6.816 1.00 0.00 C ATOM 0 H VAL A 82 1.750 -0.414 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 82 1.195 0.733 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 82 3.636 -0.879 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.054 -0.742 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.997 0.867 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.608 0.277 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.734 -2.615 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.214 -1.700 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.709 -2.379 -7.740 1.00 0.00 H new ATOM 1304 N ASN A 83 1.918 2.660 -8.598 1.00 0.00 N ATOM 1305 CA ASN A 83 2.503 3.885 -9.116 1.00 0.00 C ATOM 1306 C ASN A 83 3.292 4.579 -8.003 1.00 0.00 C ATOM 1307 O ASN A 83 2.822 5.554 -7.419 1.00 0.00 O ATOM 1308 CB ASN A 83 1.420 4.851 -9.600 1.00 0.00 C ATOM 1309 CG ASN A 83 1.240 4.758 -11.116 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.077 3.691 -11.684 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.279 5.933 -11.739 1.00 0.00 N ATOM 0 H ASN A 83 0.918 2.714 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 83 3.151 3.622 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.477 4.624 -9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.688 5.871 -9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.169 5.977 -12.752 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.419 6.790 -11.203 1.00 0.00 H new ATOM 1318 N THR A 84 4.477 4.047 -7.742 1.00 0.00 N ATOM 1319 CA THR A 84 5.335 4.603 -6.709 1.00 0.00 C ATOM 1320 C THR A 84 5.201 6.126 -6.667 1.00 0.00 C ATOM 1321 O THR A 84 4.925 6.699 -5.614 1.00 0.00 O ATOM 1322 CB THR A 84 6.764 4.126 -6.976 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.958 4.370 -8.366 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.911 2.609 -6.839 1.00 0.00 C ATOM 0 H THR A 84 4.863 3.237 -8.228 1.00 0.00 H new ATOM 0 HA THR A 84 5.040 4.255 -5.719 1.00 0.00 H new ATOM 0 HB THR A 84 7.446 4.620 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.861 4.091 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.944 2.324 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.640 2.307 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.253 2.114 -7.553 1.00 0.00 H new ATOM 1332 N SER A 85 5.401 6.739 -7.824 1.00 0.00 N ATOM 1333 CA SER A 85 5.306 8.185 -7.932 1.00 0.00 C ATOM 1334 C SER A 85 4.147 8.698 -7.075 1.00 0.00 C ATOM 1335 O SER A 85 4.316 9.630 -6.291 1.00 0.00 O ATOM 1336 CB SER A 85 5.121 8.617 -9.388 1.00 0.00 C ATOM 1337 OG SER A 85 5.509 9.973 -9.596 1.00 0.00 O ATOM 0 H SER A 85 5.629 6.261 -8.696 1.00 0.00 H new ATOM 0 HA SER A 85 6.238 8.618 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.710 7.968 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.077 8.491 -9.674 1.00 0.00 H new ATOM 0 HG SER A 85 5.378 10.210 -10.538 1.00 0.00 H new ATOM 1343 N LYS A 86 2.996 8.067 -7.255 1.00 0.00 N ATOM 1344 CA LYS A 86 1.809 8.449 -6.507 1.00 0.00 C ATOM 1345 C LYS A 86 2.043 8.187 -5.018 1.00 0.00 C ATOM 1346 O LYS A 86 1.831 9.069 -4.188 1.00 0.00 O ATOM 1347 CB LYS A 86 0.573 7.744 -7.069 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.605 8.714 -7.188 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.351 8.512 -8.508 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.437 7.444 -8.366 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.769 8.016 -8.665 1.00 0.00 N ATOM 0 H LYS A 86 2.860 7.295 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 86 1.617 9.516 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.803 7.324 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.299 6.911 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.289 8.565 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.243 9.740 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.801 9.453 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.647 8.219 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.231 6.615 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.427 7.039 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.494 7.278 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.970 8.792 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.780 8.381 -9.639 1.00 0.00 H new ATOM 1365 N LEU A 87 2.477 6.969 -4.726 1.00 0.00 N ATOM 1366 CA LEU A 87 2.742 6.580 -3.351 1.00 0.00 C ATOM 1367 C LEU A 87 3.649 7.623 -2.696 1.00 0.00 C ATOM 1368 O LEU A 87 3.246 8.291 -1.744 1.00 0.00 O ATOM 1369 CB LEU A 87 3.302 5.157 -3.296 1.00 0.00 C ATOM 1370 CG LEU A 87 4.144 4.815 -2.065 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.320 4.949 -0.783 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.772 3.426 -2.199 1.00 0.00 C ATOM 0 H LEU A 87 2.651 6.240 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 87 1.816 6.557 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.468 4.457 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.911 4.993 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 87 4.961 5.533 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.942 4.700 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.961 5.974 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.469 4.269 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.365 3.208 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.985 2.679 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.414 3.400 -3.079 1.00 0.00 H new ATOM 1384 N GLU A 88 4.856 7.731 -3.230 1.00 0.00 N ATOM 1385 CA GLU A 88 5.823 8.683 -2.709 1.00 0.00 C ATOM 1386 C GLU A 88 5.139 10.013 -2.387 1.00 0.00 C ATOM 1387 O GLU A 88 5.253 10.519 -1.272 1.00 0.00 O ATOM 1388 CB GLU A 88 6.978 8.884 -3.692 1.00 0.00 C ATOM 1389 CG GLU A 88 7.448 7.547 -4.267 1.00 0.00 C ATOM 1390 CD GLU A 88 8.969 7.526 -4.435 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.655 7.470 -3.392 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.411 7.568 -5.604 1.00 0.00 O ATOM 0 H GLU A 88 5.187 7.175 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 88 6.240 8.279 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.661 9.541 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.808 9.379 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.140 6.735 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.970 7.373 -5.231 1.00 0.00 H new ATOM 1399 N LYS A 89 4.443 10.540 -3.384 1.00 0.00 N ATOM 1400 CA LYS A 89 3.740 11.801 -3.220 1.00 0.00 C ATOM 1401 C LYS A 89 3.026 11.811 -1.867 1.00 0.00 C ATOM 1402 O LYS A 89 3.311 12.652 -1.017 1.00 0.00 O ATOM 1403 CB LYS A 89 2.810 12.054 -4.409 1.00 0.00 C ATOM 1404 CG LYS A 89 2.586 13.553 -4.621 1.00 0.00 C ATOM 1405 CD LYS A 89 1.465 14.073 -3.719 1.00 0.00 C ATOM 1406 CE LYS A 89 1.856 15.401 -3.068 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.694 16.317 -3.021 1.00 0.00 N ATOM 0 H LYS A 89 4.351 10.117 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 89 4.445 12.632 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.239 11.616 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.853 11.560 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.508 14.095 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.335 13.743 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.555 14.205 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.244 13.336 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.227 15.223 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.668 15.863 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.977 17.214 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.358 16.501 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.070 15.881 -2.466 1.00 0.00 H new ATOM 1421 N GLN A 90 2.111 10.866 -1.711 1.00 0.00 N ATOM 1422 CA GLN A 90 1.354 10.755 -0.475 1.00 0.00 C ATOM 1423 C GLN A 90 2.301 10.678 0.723 1.00 0.00 C ATOM 1424 O GLN A 90 2.175 11.452 1.670 1.00 0.00 O ATOM 1425 CB GLN A 90 0.417 9.545 -0.513 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.600 9.674 -1.649 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.483 10.909 -1.456 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.513 10.871 -0.804 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.023 12.002 -2.058 1.00 0.00 N ATOM 0 H GLN A 90 1.876 10.170 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 90 0.737 11.648 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.000 8.633 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.106 9.455 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.078 9.741 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.222 8.780 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.153 11.964 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.540 12.878 -1.989 1.00 0.00 H new ATOM 1438 N LEU A 91 3.230 9.736 0.643 1.00 0.00 N ATOM 1439 CA LEU A 91 4.199 9.547 1.710 1.00 0.00 C ATOM 1440 C LEU A 91 4.656 10.913 2.224 1.00 0.00 C ATOM 1441 O LEU A 91 4.494 11.223 3.404 1.00 0.00 O ATOM 1442 CB LEU A 91 5.346 8.651 1.239 1.00 0.00 C ATOM 1443 CG LEU A 91 5.083 7.145 1.286 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.168 6.375 0.529 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.936 6.658 2.729 1.00 0.00 C ATOM 0 H LEU A 91 3.332 9.095 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 91 3.743 9.025 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.597 8.924 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.223 8.866 1.850 1.00 0.00 H new ATOM 0 HG LEU A 91 4.137 6.948 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.957 5.307 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.181 6.695 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.139 6.574 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.750 5.584 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.853 6.870 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.101 7.173 3.204 1.00 0.00 H new