USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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 32 THR OG1 : rot -100:sc= 0.669 USER MOD Set 1.2: A 34 HIS : no HE2:sc= -0.499 K(o=0.17,f=-3.6) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0.0873 (180deg=0.0307) USER MOD Single : A 25 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.662 USER MOD Single : A 38 GLN : amide:sc= -0.0971 K(o=-0.097,f=-0.64) USER MOD Single : A 50 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 44:sc= 0.516 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -9:sc= -0.785 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -115:sc= -5.53! (180deg=-9.57!) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= -0.0665 (180deg=-0.363) USER MOD Single : A 81 MET CE :methyl -105:sc= -1.59 (180deg=-4.95!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 150:sc= 0.72 USER MOD Single : A 85 TYR OH : rot -23:sc= 0.793 USER MOD Single : A 86 TYR OH : rot 0:sc= -4.33! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -2.01! K(o=-2!,f=-0.81) USER MOD Single : A 93 GLN : amide:sc= -0.142 K(o=-0.14,f=-1) USER MOD Single : A 95 ASN : amide:sc= -2.58 K(o=-2.6,f=-0.45) USER MOD Single : A 97 GLN : amide:sc= -0.0057 X(o=-0.0057,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.852 7.717 -3.410 1.00 0.00 N ATOM 201 CA LEU A 17 1.080 6.282 -3.390 1.00 0.00 C ATOM 202 C LEU A 17 -0.078 5.576 -4.098 1.00 0.00 C ATOM 203 O LEU A 17 -1.239 5.937 -3.909 1.00 0.00 O ATOM 204 CB LEU A 17 1.312 5.796 -1.958 1.00 0.00 C ATOM 205 CG LEU A 17 1.164 4.291 -1.728 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.498 3.570 -1.939 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.569 4.003 -0.348 1.00 0.00 C ATOM 0 HA LEU A 17 1.989 6.033 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.315 6.093 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.613 6.314 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 17 0.466 3.900 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.365 2.502 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.843 3.735 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.237 3.959 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.474 2.926 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.223 4.411 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.415 4.466 -0.272 1.00 0.00 H new ATOM 219 N VAL A 18 0.277 4.582 -4.899 1.00 0.00 N ATOM 220 CA VAL A 18 -0.718 3.822 -5.636 1.00 0.00 C ATOM 221 C VAL A 18 -0.577 2.338 -5.294 1.00 0.00 C ATOM 222 O VAL A 18 0.435 1.716 -5.615 1.00 0.00 O ATOM 223 CB VAL A 18 -0.588 4.105 -7.135 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.556 3.238 -7.942 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.803 5.590 -7.433 1.00 0.00 C ATOM 0 H VAL A 18 1.241 4.285 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.723 4.128 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 18 0.426 3.846 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.444 3.459 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.336 2.185 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.579 3.452 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.705 5.764 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.800 5.886 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.057 6.180 -6.900 1.00 0.00 H new ATOM 235 N ILE A 19 -1.607 1.812 -4.647 1.00 0.00 N ATOM 236 CA ILE A 19 -1.610 0.412 -4.257 1.00 0.00 C ATOM 237 C ILE A 19 -2.369 -0.403 -5.307 1.00 0.00 C ATOM 238 O ILE A 19 -3.561 -0.188 -5.522 1.00 0.00 O ATOM 239 CB ILE A 19 -2.161 0.252 -2.839 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.235 0.911 -1.814 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.420 -1.220 -2.514 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.975 1.185 -0.503 1.00 0.00 C ATOM 0 H ILE A 19 -2.445 2.330 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.592 0.023 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.120 0.767 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.378 0.264 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.846 1.845 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.811 -1.305 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.146 -1.626 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.488 -1.779 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.294 1.653 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.817 1.851 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.342 0.246 -0.089 1.00 0.00 H new ATOM 254 N ARG A 20 -1.647 -1.321 -5.932 1.00 0.00 N ATOM 255 CA ARG A 20 -2.237 -2.169 -6.953 1.00 0.00 C ATOM 256 C ARG A 20 -2.658 -3.511 -6.351 1.00 0.00 C ATOM 257 O ARG A 20 -1.824 -4.391 -6.143 1.00 0.00 O ATOM 258 CB ARG A 20 -1.253 -2.418 -8.098 1.00 0.00 C ATOM 259 CG ARG A 20 -1.715 -3.584 -8.975 1.00 0.00 C ATOM 260 CD ARG A 20 -0.733 -3.831 -10.121 1.00 0.00 C ATOM 261 NE ARG A 20 -1.038 -5.120 -10.780 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.181 -5.782 -11.570 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.039 -5.279 -11.805 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.544 -6.946 -12.126 1.00 0.00 N ATOM 0 H ARG A 20 -0.659 -1.496 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.113 -1.653 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.160 -1.517 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.264 -2.633 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.806 -4.485 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.704 -3.370 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.795 -3.019 -10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.288 -3.841 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.958 -5.531 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.315 -4.393 -11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.691 -5.783 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.473 -7.328 -11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.108 -7.449 -12.727 1.00 0.00 H new ATOM 278 N ILE A 21 -3.952 -3.625 -6.087 1.00 0.00 N ATOM 279 CA ILE A 21 -4.494 -4.844 -5.513 1.00 0.00 C ATOM 280 C ILE A 21 -4.587 -5.917 -6.600 1.00 0.00 C ATOM 281 O ILE A 21 -4.908 -5.616 -7.748 1.00 0.00 O ATOM 282 CB ILE A 21 -5.824 -4.561 -4.812 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.617 -3.687 -3.574 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.555 -5.863 -4.478 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.788 -2.205 -3.915 1.00 0.00 C ATOM 0 H ILE A 21 -4.640 -2.893 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.829 -5.230 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.459 -4.001 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.331 -3.971 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.621 -3.858 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.497 -5.634 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.755 -6.414 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.935 -6.470 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.636 -1.605 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.057 -1.919 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.793 -2.034 -4.300 1.00 0.00 H new ATOM 297 N LYS A 22 -4.301 -7.147 -6.198 1.00 0.00 N ATOM 298 CA LYS A 22 -4.349 -8.266 -7.124 1.00 0.00 C ATOM 299 C LYS A 22 -5.772 -8.826 -7.168 1.00 0.00 C ATOM 300 O LYS A 22 -6.278 -9.325 -6.164 1.00 0.00 O ATOM 301 CB LYS A 22 -3.289 -9.308 -6.759 1.00 0.00 C ATOM 302 CG LYS A 22 -3.347 -10.505 -7.711 1.00 0.00 C ATOM 303 CD LYS A 22 -3.025 -10.081 -9.145 1.00 0.00 C ATOM 304 CE LYS A 22 -1.859 -10.896 -9.709 1.00 0.00 C ATOM 305 NZ LYS A 22 -0.646 -10.054 -9.822 1.00 0.00 N ATOM 0 H LYS A 22 -4.035 -7.393 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.105 -7.936 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.299 -8.854 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.443 -9.646 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.639 -11.267 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.339 -10.955 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.905 -10.215 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.776 -9.020 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.658 -11.750 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.125 -11.294 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.017 -10.488 -10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.911 -9.107 -10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.190 -9.975 -8.891 1.00 0.00 H new ATOM 319 N ILE A 23 -6.378 -8.724 -8.342 1.00 0.00 N ATOM 320 CA ILE A 23 -7.733 -9.214 -8.530 1.00 0.00 C ATOM 321 C ILE A 23 -7.683 -10.656 -9.037 1.00 0.00 C ATOM 322 O ILE A 23 -6.831 -11.002 -9.855 1.00 0.00 O ATOM 323 CB ILE A 23 -8.523 -8.269 -9.438 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.352 -6.814 -8.996 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.995 -8.679 -9.507 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.554 -6.347 -8.172 1.00 0.00 C ATOM 0 H ILE A 23 -5.955 -8.309 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.269 -9.228 -7.581 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.120 -8.348 -10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.441 -6.714 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.236 -6.175 -9.872 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.534 -7.991 -10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.073 -9.691 -9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.429 -8.647 -8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.407 -5.310 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.460 -6.426 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.652 -6.973 -7.285 1.00 0.00 H new ATOM 338 N PRO A 24 -8.632 -11.481 -8.518 1.00 0.00 N ATOM 339 CA PRO A 24 -8.704 -12.878 -8.910 1.00 0.00 C ATOM 340 C PRO A 24 -9.296 -13.024 -10.313 1.00 0.00 C ATOM 341 O PRO A 24 -10.469 -12.723 -10.531 1.00 0.00 O ATOM 342 CB PRO A 24 -9.550 -13.544 -7.837 1.00 0.00 C ATOM 343 CG PRO A 24 -10.303 -12.421 -7.143 1.00 0.00 C ATOM 344 CD PRO A 24 -9.657 -11.107 -7.548 1.00 0.00 C ATOM 0 HA PRO A 24 -7.723 -13.348 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.240 -14.265 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.925 -14.090 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.355 -12.433 -7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.265 -12.548 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.386 -10.426 -7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.221 -10.598 -6.688 1.00 0.00 H new ATOM 352 N ASN A 25 -8.457 -13.486 -11.229 1.00 0.00 N ATOM 353 CA ASN A 25 -8.882 -13.676 -12.606 1.00 0.00 C ATOM 354 C ASN A 25 -9.700 -12.462 -13.054 1.00 0.00 C ATOM 355 O ASN A 25 -10.917 -12.551 -13.206 1.00 0.00 O ATOM 356 CB ASN A 25 -9.766 -14.917 -12.743 1.00 0.00 C ATOM 357 CG ASN A 25 -8.940 -16.133 -13.167 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.965 -16.031 -13.894 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.383 -17.286 -12.675 1.00 0.00 N ATOM 0 H ASN A 25 -7.485 -13.734 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.990 -13.798 -13.221 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.261 -15.122 -11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.549 -14.731 -13.478 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.900 -18.156 -12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.206 -17.301 -12.072 1.00 0.00 H new ATOM 366 N SER A 26 -8.997 -11.357 -13.254 1.00 0.00 N ATOM 367 CA SER A 26 -9.642 -10.127 -13.682 1.00 0.00 C ATOM 368 C SER A 26 -8.586 -9.084 -14.052 1.00 0.00 C ATOM 369 O SER A 26 -8.700 -8.417 -15.080 1.00 0.00 O ATOM 370 CB SER A 26 -10.567 -9.582 -12.592 1.00 0.00 C ATOM 371 OG SER A 26 -11.841 -9.211 -13.111 1.00 0.00 O ATOM 0 H SER A 26 -7.987 -11.288 -13.128 1.00 0.00 H new ATOM 0 HA SER A 26 -10.250 -10.347 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.697 -10.336 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.101 -8.717 -12.120 1.00 0.00 H new ATOM 0 HG SER A 26 -12.403 -8.870 -12.385 1.00 0.00 H new ATOM 377 N GLY A 27 -7.582 -8.975 -13.195 1.00 0.00 N ATOM 378 CA GLY A 27 -6.506 -8.024 -13.419 1.00 0.00 C ATOM 379 C GLY A 27 -5.986 -7.462 -12.094 1.00 0.00 C ATOM 380 O GLY A 27 -5.391 -8.187 -11.299 1.00 0.00 O ATOM 0 H GLY A 27 -7.491 -9.530 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.692 -8.511 -13.956 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.862 -7.209 -14.049 1.00 0.00 H new ATOM 384 N ALA A 28 -6.231 -6.174 -11.898 1.00 0.00 N ATOM 385 CA ALA A 28 -5.795 -5.506 -10.683 1.00 0.00 C ATOM 386 C ALA A 28 -6.299 -4.062 -10.692 1.00 0.00 C ATOM 387 O ALA A 28 -6.424 -3.450 -11.751 1.00 0.00 O ATOM 388 CB ALA A 28 -4.271 -5.591 -10.573 1.00 0.00 C ATOM 0 H ALA A 28 -6.726 -5.576 -12.560 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.213 -5.996 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.943 -5.090 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.966 -6.637 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.816 -5.106 -11.437 1.00 0.00 H new ATOM 394 N VAL A 29 -6.576 -3.559 -9.497 1.00 0.00 N ATOM 395 CA VAL A 29 -7.064 -2.198 -9.354 1.00 0.00 C ATOM 396 C VAL A 29 -6.026 -1.365 -8.598 1.00 0.00 C ATOM 397 O VAL A 29 -5.319 -1.883 -7.735 1.00 0.00 O ATOM 398 CB VAL A 29 -8.435 -2.202 -8.675 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.819 -0.798 -8.205 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.504 -2.781 -9.603 1.00 0.00 C ATOM 0 H VAL A 29 -6.472 -4.069 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.201 -1.737 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.371 -2.843 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.798 -0.830 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.078 -0.438 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.856 -0.125 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.469 -2.772 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.565 -2.178 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.241 -3.806 -9.866 1.00 0.00 H new ATOM 410 N ASP A 30 -5.966 -0.090 -8.951 1.00 0.00 N ATOM 411 CA ASP A 30 -5.027 0.819 -8.317 1.00 0.00 C ATOM 412 C ASP A 30 -5.785 1.753 -7.372 1.00 0.00 C ATOM 413 O ASP A 30 -6.697 2.462 -7.794 1.00 0.00 O ATOM 414 CB ASP A 30 -4.308 1.682 -9.357 1.00 0.00 C ATOM 415 CG ASP A 30 -5.075 2.926 -9.807 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.258 2.762 -10.175 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.461 4.015 -9.772 1.00 0.00 O ATOM 0 H ASP A 30 -6.553 0.335 -9.669 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.295 0.221 -7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.348 1.994 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.096 1.068 -10.232 1.00 0.00 H new ATOM 422 N TRP A 31 -5.380 1.723 -6.111 1.00 0.00 N ATOM 423 CA TRP A 31 -6.010 2.557 -5.102 1.00 0.00 C ATOM 424 C TRP A 31 -5.174 3.830 -4.953 1.00 0.00 C ATOM 425 O TRP A 31 -4.041 3.781 -4.477 1.00 0.00 O ATOM 426 CB TRP A 31 -6.178 1.795 -3.786 1.00 0.00 C ATOM 427 CG TRP A 31 -6.489 2.689 -2.584 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.131 3.865 -2.575 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.144 2.429 -1.207 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.224 4.381 -1.298 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.605 3.479 -0.440 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.464 1.342 -0.629 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.436 3.546 0.948 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.304 1.424 0.759 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.762 2.475 1.546 1.00 0.00 C ATOM 0 H TRP A 31 -4.623 1.134 -5.765 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.019 2.835 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.980 1.066 -3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.265 1.236 -3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.526 4.349 -3.456 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.665 5.262 -1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.095 0.510 -1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.806 4.380 1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.789 0.614 1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.598 2.465 2.613 1.00 0.00 H new ATOM 446 N THR A 32 -5.766 4.941 -5.368 1.00 0.00 N ATOM 447 CA THR A 32 -5.091 6.225 -5.286 1.00 0.00 C ATOM 448 C THR A 32 -4.940 6.656 -3.826 1.00 0.00 C ATOM 449 O THR A 32 -5.885 7.163 -3.224 1.00 0.00 O ATOM 450 CB THR A 32 -5.874 7.226 -6.137 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.322 8.491 -5.781 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.342 7.329 -5.718 1.00 0.00 C ATOM 0 H THR A 32 -6.706 4.978 -5.762 1.00 0.00 H new ATOM 0 HA THR A 32 -4.077 6.164 -5.681 1.00 0.00 H new ATOM 0 HB THR A 32 -5.816 6.934 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.911 8.935 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.852 8.053 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.819 6.355 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.402 7.653 -4.679 1.00 0.00 H new ATOM 460 N VAL A 33 -3.744 6.438 -3.298 1.00 0.00 N ATOM 461 CA VAL A 33 -3.457 6.798 -1.920 1.00 0.00 C ATOM 462 C VAL A 33 -2.616 8.075 -1.896 1.00 0.00 C ATOM 463 O VAL A 33 -1.510 8.105 -2.433 1.00 0.00 O ATOM 464 CB VAL A 33 -2.785 5.625 -1.202 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.430 5.996 0.239 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.669 4.377 -1.246 1.00 0.00 C ATOM 0 H VAL A 33 -2.963 6.016 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.380 7.007 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.857 5.397 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.954 5.145 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.745 6.844 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.338 6.263 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.169 3.558 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.620 4.587 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.849 4.095 -2.283 1.00 0.00 H new ATOM 476 N HIS A 34 -3.172 9.100 -1.266 1.00 0.00 N ATOM 477 CA HIS A 34 -2.486 10.377 -1.165 1.00 0.00 C ATOM 478 C HIS A 34 -1.733 10.451 0.165 1.00 0.00 C ATOM 479 O HIS A 34 -0.689 11.096 0.256 1.00 0.00 O ATOM 480 CB HIS A 34 -3.466 11.537 -1.356 1.00 0.00 C ATOM 481 CG HIS A 34 -4.298 11.437 -2.612 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.487 12.505 -3.472 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.986 10.387 -3.145 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.257 12.104 -4.473 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.566 10.791 -4.268 1.00 0.00 N ATOM 0 H HIS A 34 -4.089 9.072 -0.821 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.751 10.463 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.132 11.583 -0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.907 12.472 -1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.100 13.441 -3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.048 9.394 -2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.583 12.710 -5.305 1.00 0.00 H new ATOM 493 N SER A 35 -2.291 9.781 1.162 1.00 0.00 N ATOM 494 CA SER A 35 -1.684 9.762 2.483 1.00 0.00 C ATOM 495 C SER A 35 -0.776 8.539 2.624 1.00 0.00 C ATOM 496 O SER A 35 -0.897 7.779 3.583 1.00 0.00 O ATOM 497 CB SER A 35 -2.752 9.760 3.579 1.00 0.00 C ATOM 498 OG SER A 35 -2.958 11.060 4.125 1.00 0.00 O ATOM 0 H SER A 35 -3.157 9.247 1.082 1.00 0.00 H new ATOM 0 HA SER A 35 -1.085 10.666 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.690 9.385 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.455 9.076 4.374 1.00 0.00 H new ATOM 0 HG SER A 35 -3.648 11.017 4.820 1.00 0.00 H new ATOM 504 N GLY A 36 0.114 8.387 1.654 1.00 0.00 N ATOM 505 CA GLY A 36 1.042 7.269 1.659 1.00 0.00 C ATOM 506 C GLY A 36 1.551 6.985 3.073 1.00 0.00 C ATOM 507 O GLY A 36 1.462 5.856 3.553 1.00 0.00 O ATOM 0 H GLY A 36 0.212 9.019 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.550 6.382 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.884 7.488 1.003 1.00 0.00 H new ATOM 511 N PRO A 37 2.087 8.056 3.718 1.00 0.00 N ATOM 512 CA PRO A 37 2.610 7.932 5.068 1.00 0.00 C ATOM 513 C PRO A 37 1.474 7.841 6.089 1.00 0.00 C ATOM 514 O PRO A 37 1.521 7.019 7.003 1.00 0.00 O ATOM 515 CB PRO A 37 3.488 9.157 5.263 1.00 0.00 C ATOM 516 CG PRO A 37 3.059 10.152 4.197 1.00 0.00 C ATOM 517 CD PRO A 37 2.208 9.408 3.180 1.00 0.00 C ATOM 0 HA PRO A 37 3.186 7.018 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.359 9.575 6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.543 8.902 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.493 10.969 4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.931 10.594 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.231 9.877 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.679 9.403 2.197 1.00 0.00 H new ATOM 525 N GLN A 38 0.481 8.698 5.901 1.00 0.00 N ATOM 526 CA GLN A 38 -0.664 8.725 6.794 1.00 0.00 C ATOM 527 C GLN A 38 -1.663 7.633 6.409 1.00 0.00 C ATOM 528 O GLN A 38 -2.846 7.909 6.213 1.00 0.00 O ATOM 529 CB GLN A 38 -1.329 10.103 6.791 1.00 0.00 C ATOM 530 CG GLN A 38 -1.959 10.410 8.151 1.00 0.00 C ATOM 531 CD GLN A 38 -1.747 11.876 8.535 1.00 0.00 C ATOM 532 OE1 GLN A 38 -0.683 12.445 8.350 1.00 0.00 O ATOM 533 NE2 GLN A 38 -2.814 12.453 9.078 1.00 0.00 N ATOM 0 H GLN A 38 0.446 9.379 5.143 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.315 8.529 7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.590 10.867 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.094 10.140 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.026 10.189 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.522 9.764 8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.674 11.919 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.773 13.430 9.368 1.00 0.00 H new ATOM 542 N LEU A 39 -1.152 6.414 6.313 1.00 0.00 N ATOM 543 CA LEU A 39 -1.985 5.279 5.955 1.00 0.00 C ATOM 544 C LEU A 39 -1.896 4.219 7.055 1.00 0.00 C ATOM 545 O LEU A 39 -0.819 3.968 7.594 1.00 0.00 O ATOM 546 CB LEU A 39 -1.611 4.756 4.566 1.00 0.00 C ATOM 547 CG LEU A 39 -2.551 3.708 3.968 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.913 4.321 3.634 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.915 3.030 2.754 1.00 0.00 C ATOM 0 H LEU A 39 -0.171 6.188 6.477 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.030 5.581 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.561 5.603 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.609 4.329 4.618 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.720 2.934 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.563 3.555 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.366 4.719 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.782 5.126 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.604 2.290 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.697 3.778 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.990 2.538 3.055 1.00 0.00 H new ATOM 561 N LEU A 40 -3.042 3.627 7.356 1.00 0.00 N ATOM 562 CA LEU A 40 -3.106 2.600 8.383 1.00 0.00 C ATOM 563 C LEU A 40 -3.437 1.255 7.732 1.00 0.00 C ATOM 564 O LEU A 40 -3.904 1.210 6.595 1.00 0.00 O ATOM 565 CB LEU A 40 -4.085 3.007 9.486 1.00 0.00 C ATOM 566 CG LEU A 40 -3.701 4.244 10.301 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.897 4.768 11.098 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.495 3.957 11.198 1.00 0.00 C ATOM 0 H LEU A 40 -3.933 3.838 6.907 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.138 2.488 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.060 3.184 9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.200 2.167 10.171 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.406 5.032 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.597 5.647 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.701 5.037 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.246 3.994 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.243 4.852 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.738 3.147 11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.644 3.667 10.582 1.00 0.00 H new ATOM 580 N PHE A 41 -3.183 0.193 8.482 1.00 0.00 N ATOM 581 CA PHE A 41 -3.448 -1.149 7.993 1.00 0.00 C ATOM 582 C PHE A 41 -4.935 -1.337 7.686 1.00 0.00 C ATOM 583 O PHE A 41 -5.293 -1.866 6.635 1.00 0.00 O ATOM 584 CB PHE A 41 -3.042 -2.119 9.105 1.00 0.00 C ATOM 585 CG PHE A 41 -3.240 -3.593 8.748 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.611 -4.120 7.664 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.045 -4.377 9.515 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.794 -5.489 7.332 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.228 -5.745 9.184 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.599 -6.272 8.099 1.00 0.00 C ATOM 0 H PHE A 41 -2.796 0.235 9.425 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.889 -1.327 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.993 -1.953 9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.621 -1.892 10.000 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.972 -3.498 7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.545 -3.958 10.376 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.294 -5.908 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.866 -6.367 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.739 -7.313 7.847 1.00 0.00 H new ATOM 600 N ARG A 42 -5.761 -0.894 8.623 1.00 0.00 N ATOM 601 CA ARG A 42 -7.201 -1.007 8.465 1.00 0.00 C ATOM 602 C ARG A 42 -7.647 -0.332 7.167 1.00 0.00 C ATOM 603 O ARG A 42 -8.382 -0.923 6.377 1.00 0.00 O ATOM 604 CB ARG A 42 -7.936 -0.365 9.644 1.00 0.00 C ATOM 605 CG ARG A 42 -7.462 -0.957 10.973 1.00 0.00 C ATOM 606 CD ARG A 42 -7.595 -2.481 10.974 1.00 0.00 C ATOM 607 NE ARG A 42 -8.902 -2.874 10.402 1.00 0.00 N ATOM 608 CZ ARG A 42 -10.047 -2.906 11.097 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.053 -2.568 12.394 1.00 0.00 N ATOM 610 NH2 ARG A 42 -11.186 -3.276 10.496 1.00 0.00 N ATOM 0 H ARG A 42 -5.460 -0.456 9.494 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.449 -2.068 8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.766 0.712 9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.010 -0.519 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.423 -0.679 11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.047 -0.537 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.786 -2.925 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.504 -2.862 11.991 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.933 -3.137 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.186 -2.286 12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.925 -2.592 12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.182 -3.533 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.057 -3.300 11.025 1.00 0.00 H new ATOM 624 N ASP A 43 -7.184 0.896 6.986 1.00 0.00 N ATOM 625 CA ASP A 43 -7.527 1.658 5.797 1.00 0.00 C ATOM 626 C ASP A 43 -7.456 0.743 4.573 1.00 0.00 C ATOM 627 O ASP A 43 -8.391 0.692 3.776 1.00 0.00 O ATOM 628 CB ASP A 43 -6.547 2.813 5.581 1.00 0.00 C ATOM 629 CG ASP A 43 -6.847 4.075 6.392 1.00 0.00 C ATOM 630 OD1 ASP A 43 -6.979 3.937 7.628 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.936 5.149 5.759 1.00 0.00 O ATOM 0 H ASP A 43 -6.574 1.383 7.643 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.532 2.058 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.543 2.469 5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.542 3.072 4.522 1.00 0.00 H new ATOM 636 N VAL A 44 -6.337 0.042 4.462 1.00 0.00 N ATOM 637 CA VAL A 44 -6.131 -0.869 3.348 1.00 0.00 C ATOM 638 C VAL A 44 -7.286 -1.871 3.295 1.00 0.00 C ATOM 639 O VAL A 44 -7.914 -2.045 2.251 1.00 0.00 O ATOM 640 CB VAL A 44 -4.762 -1.540 3.467 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.546 -2.550 2.338 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.641 -0.499 3.493 1.00 0.00 C ATOM 0 H VAL A 44 -5.563 0.086 5.125 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.129 -0.324 2.404 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.737 -2.083 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.565 -3.013 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.317 -3.319 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.602 -2.039 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.678 -1.003 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.665 0.085 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.780 0.164 4.347 1.00 0.00 H new ATOM 652 N LEU A 45 -7.531 -2.504 4.433 1.00 0.00 N ATOM 653 CA LEU A 45 -8.599 -3.484 4.529 1.00 0.00 C ATOM 654 C LEU A 45 -9.939 -2.803 4.239 1.00 0.00 C ATOM 655 O LEU A 45 -10.857 -3.430 3.715 1.00 0.00 O ATOM 656 CB LEU A 45 -8.552 -4.197 5.882 1.00 0.00 C ATOM 657 CG LEU A 45 -7.344 -5.105 6.119 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.870 -5.741 4.811 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.219 -4.347 6.828 1.00 0.00 C ATOM 0 H LEU A 45 -7.008 -2.357 5.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.468 -4.264 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.575 -3.443 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.457 -4.795 5.987 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.652 -5.917 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.010 -6.381 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.676 -6.337 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.585 -4.958 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.372 -5.015 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.906 -3.502 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.576 -3.983 7.791 1.00 0.00 H new ATOM 671 N ASP A 46 -10.007 -1.528 4.594 1.00 0.00 N ATOM 672 CA ASP A 46 -11.218 -0.755 4.379 1.00 0.00 C ATOM 673 C ASP A 46 -11.392 -0.495 2.882 1.00 0.00 C ATOM 674 O ASP A 46 -12.512 -0.308 2.407 1.00 0.00 O ATOM 675 CB ASP A 46 -11.141 0.598 5.089 1.00 0.00 C ATOM 676 CG ASP A 46 -11.743 0.626 6.495 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.938 0.279 6.608 1.00 0.00 O ATOM 678 OD2 ASP A 46 -10.993 0.994 7.426 1.00 0.00 O ATOM 0 H ASP A 46 -9.243 -1.011 5.029 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.057 -1.324 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.095 0.899 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.651 1.342 4.477 1.00 0.00 H new ATOM 683 N VAL A 47 -10.269 -0.490 2.180 1.00 0.00 N ATOM 684 CA VAL A 47 -10.284 -0.256 0.746 1.00 0.00 C ATOM 685 C VAL A 47 -10.535 -1.579 0.019 1.00 0.00 C ATOM 686 O VAL A 47 -11.505 -1.707 -0.726 1.00 0.00 O ATOM 687 CB VAL A 47 -8.983 0.425 0.314 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.814 0.370 -1.206 1.00 0.00 C ATOM 689 CG2 VAL A 47 -8.926 1.868 0.819 1.00 0.00 C ATOM 0 H VAL A 47 -9.342 -0.644 2.577 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.095 0.421 0.478 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.154 -0.121 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.882 0.861 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.789 -0.670 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.651 0.880 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.992 2.329 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.766 2.430 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.979 1.875 1.908 1.00 0.00 H new ATOM 699 N ILE A 48 -9.645 -2.529 0.263 1.00 0.00 N ATOM 700 CA ILE A 48 -9.759 -3.838 -0.359 1.00 0.00 C ATOM 701 C ILE A 48 -11.215 -4.304 -0.294 1.00 0.00 C ATOM 702 O ILE A 48 -11.747 -4.825 -1.273 1.00 0.00 O ATOM 703 CB ILE A 48 -8.770 -4.819 0.274 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.359 -4.610 -0.279 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.245 -6.264 0.102 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.344 -5.479 0.466 1.00 0.00 C ATOM 0 H ILE A 48 -8.842 -2.419 0.882 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.489 -3.784 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.729 -4.618 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.341 -4.853 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.081 -3.560 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.524 -6.941 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.216 -6.388 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.334 -6.494 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.349 -5.311 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.347 -5.216 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.612 -6.530 0.352 1.00 0.00 H new ATOM 718 N GLY A 49 -11.817 -4.099 0.868 1.00 0.00 N ATOM 719 CA GLY A 49 -13.201 -4.491 1.072 1.00 0.00 C ATOM 720 C GLY A 49 -14.079 -4.036 -0.095 1.00 0.00 C ATOM 721 O GLY A 49 -15.069 -4.688 -0.423 1.00 0.00 O ATOM 0 H GLY A 49 -11.372 -3.667 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.264 -5.574 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.572 -4.058 2.001 1.00 0.00 H new ATOM 725 N GLN A 50 -13.683 -2.921 -0.691 1.00 0.00 N ATOM 726 CA GLN A 50 -14.422 -2.371 -1.816 1.00 0.00 C ATOM 727 C GLN A 50 -14.041 -3.097 -3.107 1.00 0.00 C ATOM 728 O GLN A 50 -14.875 -3.274 -3.993 1.00 0.00 O ATOM 729 CB GLN A 50 -14.184 -0.865 -1.943 1.00 0.00 C ATOM 730 CG GLN A 50 -14.512 -0.145 -0.634 1.00 0.00 C ATOM 731 CD GLN A 50 -15.537 0.968 -0.861 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.671 0.733 -1.247 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.078 2.188 -0.601 1.00 0.00 N ATOM 0 H GLN A 50 -12.861 -2.383 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.486 -2.524 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.145 -0.679 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.800 -0.463 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.901 -0.860 0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.601 0.276 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.118 2.314 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.686 2.998 -0.722 1.00 0.00 H new ATOM 742 N VAL A 51 -12.780 -3.499 -3.172 1.00 0.00 N ATOM 743 CA VAL A 51 -12.278 -4.203 -4.341 1.00 0.00 C ATOM 744 C VAL A 51 -12.786 -5.646 -4.318 1.00 0.00 C ATOM 745 O VAL A 51 -13.203 -6.177 -5.346 1.00 0.00 O ATOM 746 CB VAL A 51 -10.752 -4.106 -4.394 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.212 -4.686 -5.703 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.287 -2.662 -4.200 1.00 0.00 C ATOM 0 H VAL A 51 -12.091 -3.351 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.651 -3.742 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.349 -4.699 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.125 -4.605 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.499 -5.735 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.627 -4.132 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.199 -2.621 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.704 -2.036 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.626 -2.298 -3.230 1.00 0.00 H new ATOM 758 N LEU A 52 -12.733 -6.240 -3.135 1.00 0.00 N ATOM 759 CA LEU A 52 -13.182 -7.612 -2.965 1.00 0.00 C ATOM 760 C LEU A 52 -14.308 -7.651 -1.931 1.00 0.00 C ATOM 761 O LEU A 52 -14.084 -8.015 -0.777 1.00 0.00 O ATOM 762 CB LEU A 52 -12.001 -8.523 -2.624 1.00 0.00 C ATOM 763 CG LEU A 52 -11.065 -8.870 -3.784 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.191 -7.672 -4.160 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.229 -10.111 -3.461 1.00 0.00 C ATOM 0 H LEU A 52 -12.386 -5.796 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.593 -7.997 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.414 -8.045 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.392 -9.452 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.674 -9.110 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.535 -7.945 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.826 -6.839 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.588 -7.377 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.572 -10.336 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.628 -9.923 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.890 -10.958 -3.280 1.00 0.00 H new ATOM 777 N PRO A 53 -15.526 -7.259 -2.392 1.00 0.00 N ATOM 778 CA PRO A 53 -16.688 -7.246 -1.519 1.00 0.00 C ATOM 779 C PRO A 53 -17.200 -8.666 -1.267 1.00 0.00 C ATOM 780 O PRO A 53 -17.914 -8.909 -0.295 1.00 0.00 O ATOM 781 CB PRO A 53 -17.703 -6.366 -2.229 1.00 0.00 C ATOM 782 CG PRO A 53 -17.254 -6.297 -3.680 1.00 0.00 C ATOM 783 CD PRO A 53 -15.829 -6.821 -3.751 1.00 0.00 C ATOM 0 HA PRO A 53 -16.465 -6.853 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.706 -6.785 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.737 -5.372 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.912 -6.893 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.303 -5.272 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.745 -7.644 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.138 -6.045 -4.080 1.00 0.00 H new ATOM 791 N GLU A 54 -16.817 -9.566 -2.160 1.00 0.00 N ATOM 792 CA GLU A 54 -17.229 -10.955 -2.047 1.00 0.00 C ATOM 793 C GLU A 54 -16.068 -11.814 -1.541 1.00 0.00 C ATOM 794 O GLU A 54 -16.191 -13.033 -1.440 1.00 0.00 O ATOM 795 CB GLU A 54 -17.758 -11.481 -3.383 1.00 0.00 C ATOM 796 CG GLU A 54 -18.107 -10.328 -4.326 1.00 0.00 C ATOM 797 CD GLU A 54 -19.122 -9.381 -3.682 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.371 -9.556 -2.470 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.626 -8.504 -4.417 1.00 0.00 O ATOM 0 H GLU A 54 -16.226 -9.361 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.042 -11.014 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -17.009 -12.122 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.642 -12.096 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.202 -9.777 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.514 -10.725 -5.256 1.00 0.00 H new ATOM 806 N ALA A 55 -14.966 -11.143 -1.236 1.00 0.00 N ATOM 807 CA ALA A 55 -13.784 -11.829 -0.743 1.00 0.00 C ATOM 808 C ALA A 55 -13.025 -10.905 0.211 1.00 0.00 C ATOM 809 O ALA A 55 -11.930 -10.443 -0.106 1.00 0.00 O ATOM 810 CB ALA A 55 -12.924 -12.279 -1.926 1.00 0.00 C ATOM 0 H ALA A 55 -14.867 -10.131 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.063 -12.722 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.037 -12.794 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.499 -12.956 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.622 -11.408 -2.508 1.00 0.00 H new ATOM 816 N THR A 56 -13.636 -10.665 1.362 1.00 0.00 N ATOM 817 CA THR A 56 -13.031 -9.805 2.365 1.00 0.00 C ATOM 818 C THR A 56 -11.553 -10.156 2.547 1.00 0.00 C ATOM 819 O THR A 56 -11.101 -11.206 2.095 1.00 0.00 O ATOM 820 CB THR A 56 -13.849 -9.933 3.652 1.00 0.00 C ATOM 821 OG1 THR A 56 -15.101 -9.334 3.329 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.300 -9.062 4.784 1.00 0.00 C ATOM 0 H THR A 56 -14.544 -11.051 1.622 1.00 0.00 H new ATOM 0 HA THR A 56 -13.049 -8.761 2.054 1.00 0.00 H new ATOM 0 HB THR A 56 -13.863 -10.975 3.970 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.694 -9.375 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.917 -9.190 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.275 -9.359 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.317 -8.016 4.479 1.00 0.00 H new ATOM 830 N THR A 57 -10.842 -9.255 3.209 1.00 0.00 N ATOM 831 CA THR A 57 -9.424 -9.456 3.456 1.00 0.00 C ATOM 832 C THR A 57 -8.985 -8.683 4.701 1.00 0.00 C ATOM 833 O THR A 57 -9.412 -7.550 4.916 1.00 0.00 O ATOM 834 CB THR A 57 -8.662 -9.054 2.191 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.392 -10.293 1.541 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.276 -8.485 2.499 1.00 0.00 C ATOM 0 H THR A 57 -11.221 -8.384 3.582 1.00 0.00 H new ATOM 0 HA THR A 57 -9.204 -10.502 3.667 1.00 0.00 H new ATOM 0 HB THR A 57 -9.242 -8.316 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.195 -10.854 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.778 -8.216 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.377 -7.599 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.683 -9.234 3.024 1.00 0.00 H new ATOM 844 N THR A 58 -8.137 -9.327 5.490 1.00 0.00 N ATOM 845 CA THR A 58 -7.635 -8.714 6.708 1.00 0.00 C ATOM 846 C THR A 58 -6.180 -8.278 6.525 1.00 0.00 C ATOM 847 O THR A 58 -5.771 -7.237 7.038 1.00 0.00 O ATOM 848 CB THR A 58 -7.832 -9.709 7.853 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.234 -9.677 8.104 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.208 -9.224 9.164 1.00 0.00 C ATOM 0 H THR A 58 -7.785 -10.267 5.309 1.00 0.00 H new ATOM 0 HA THR A 58 -8.186 -7.805 6.950 1.00 0.00 H new ATOM 0 HB THR A 58 -7.397 -10.670 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.450 -10.296 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.376 -9.967 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.137 -9.080 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.666 -8.280 9.458 1.00 0.00 H new ATOM 858 N ALA A 59 -5.438 -9.096 5.793 1.00 0.00 N ATOM 859 CA ALA A 59 -4.037 -8.807 5.537 1.00 0.00 C ATOM 860 C ALA A 59 -3.779 -8.855 4.029 1.00 0.00 C ATOM 861 O ALA A 59 -4.672 -9.190 3.253 1.00 0.00 O ATOM 862 CB ALA A 59 -3.162 -9.797 6.309 1.00 0.00 C ATOM 0 H ALA A 59 -5.780 -9.958 5.369 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.782 -7.806 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.111 -9.580 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.363 -9.704 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.388 -10.813 5.984 1.00 0.00 H new ATOM 868 N PHE A 60 -2.553 -8.514 3.660 1.00 0.00 N ATOM 869 CA PHE A 60 -2.166 -8.513 2.260 1.00 0.00 C ATOM 870 C PHE A 60 -0.659 -8.726 2.107 1.00 0.00 C ATOM 871 O PHE A 60 0.116 -8.363 2.992 1.00 0.00 O ATOM 872 CB PHE A 60 -2.535 -7.141 1.694 1.00 0.00 C ATOM 873 CG PHE A 60 -2.160 -5.971 2.606 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.965 -5.637 3.651 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.022 -5.264 2.372 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.617 -4.551 4.497 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.674 -4.178 3.218 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.479 -3.845 4.263 1.00 0.00 C ATOM 0 H PHE A 60 -1.815 -8.236 4.307 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.675 -9.320 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.040 -7.011 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.608 -7.113 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.869 -6.198 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.383 -5.529 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.256 -4.286 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.230 -3.616 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.214 -3.019 4.907 1.00 0.00 H new ATOM 888 N GLU A 61 -0.287 -9.312 0.979 1.00 0.00 N ATOM 889 CA GLU A 61 1.114 -9.577 0.699 1.00 0.00 C ATOM 890 C GLU A 61 1.648 -8.578 -0.329 1.00 0.00 C ATOM 891 O GLU A 61 0.891 -8.059 -1.147 1.00 0.00 O ATOM 892 CB GLU A 61 1.315 -11.016 0.220 1.00 0.00 C ATOM 893 CG GLU A 61 0.830 -12.017 1.271 1.00 0.00 C ATOM 894 CD GLU A 61 0.767 -13.432 0.693 1.00 0.00 C ATOM 895 OE1 GLU A 61 1.680 -13.765 -0.093 1.00 0.00 O ATOM 896 OE2 GLU A 61 -0.193 -14.149 1.050 1.00 0.00 O ATOM 0 H GLU A 61 -0.932 -9.611 0.247 1.00 0.00 H new ATOM 0 HA GLU A 61 1.678 -9.454 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.773 -11.172 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.370 -11.188 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.500 -12.001 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.156 -11.723 1.631 1.00 0.00 H new ATOM 903 N TYR A 62 2.949 -8.338 -0.253 1.00 0.00 N ATOM 904 CA TYR A 62 3.594 -7.410 -1.166 1.00 0.00 C ATOM 905 C TYR A 62 5.076 -7.748 -1.336 1.00 0.00 C ATOM 906 O TYR A 62 5.790 -7.935 -0.352 1.00 0.00 O ATOM 907 CB TYR A 62 3.468 -6.028 -0.522 1.00 0.00 C ATOM 908 CG TYR A 62 4.576 -5.707 0.483 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.830 -5.346 0.036 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.321 -5.779 1.838 1.00 0.00 C ATOM 911 CE1 TYR A 62 6.873 -5.044 0.982 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.364 -5.477 2.784 1.00 0.00 C ATOM 913 CZ TYR A 62 6.588 -5.124 2.309 1.00 0.00 C ATOM 914 OH TYR A 62 7.573 -4.839 3.203 1.00 0.00 O ATOM 0 H TYR A 62 3.574 -8.771 0.427 1.00 0.00 H new ATOM 0 HA TYR A 62 3.129 -7.456 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.472 -5.271 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.504 -5.960 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.030 -5.290 -1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.339 -6.062 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.859 -4.760 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.178 -5.530 3.847 1.00 0.00 H new ATOM 0 HH TYR A 62 8.426 -4.742 2.730 1.00 0.00 H new ATOM 924 N GLU A 63 5.496 -7.815 -2.591 1.00 0.00 N ATOM 925 CA GLU A 63 6.880 -8.127 -2.901 1.00 0.00 C ATOM 926 C GLU A 63 7.794 -6.983 -2.458 1.00 0.00 C ATOM 927 O GLU A 63 7.640 -5.849 -2.909 1.00 0.00 O ATOM 928 CB GLU A 63 7.055 -8.421 -4.393 1.00 0.00 C ATOM 929 CG GLU A 63 6.725 -9.882 -4.706 1.00 0.00 C ATOM 930 CD GLU A 63 6.039 -10.010 -6.067 1.00 0.00 C ATOM 931 OE1 GLU A 63 5.219 -9.118 -6.376 1.00 0.00 O ATOM 932 OE2 GLU A 63 6.351 -10.996 -6.769 1.00 0.00 O ATOM 0 H GLU A 63 4.901 -7.658 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 63 7.161 -9.025 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.407 -7.765 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.080 -8.204 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.640 -10.475 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.077 -10.287 -3.929 1.00 0.00 H new ATOM 939 N ASP A 64 8.727 -7.320 -1.579 1.00 0.00 N ATOM 940 CA ASP A 64 9.665 -6.335 -1.069 1.00 0.00 C ATOM 941 C ASP A 64 10.759 -6.092 -2.111 1.00 0.00 C ATOM 942 O ASP A 64 10.523 -6.238 -3.309 1.00 0.00 O ATOM 943 CB ASP A 64 10.337 -6.827 0.215 1.00 0.00 C ATOM 944 CG ASP A 64 10.702 -5.728 1.215 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.113 -4.632 1.095 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.562 -6.009 2.078 1.00 0.00 O ATOM 0 H ASP A 64 8.853 -8.261 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 64 9.112 -5.420 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.672 -7.538 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.243 -7.370 -0.052 1.00 0.00 H new ATOM 951 N GLU A 65 11.933 -5.727 -1.616 1.00 0.00 N ATOM 952 CA GLU A 65 13.063 -5.462 -2.489 1.00 0.00 C ATOM 953 C GLU A 65 13.592 -6.770 -3.084 1.00 0.00 C ATOM 954 O GLU A 65 14.089 -6.788 -4.209 1.00 0.00 O ATOM 955 CB GLU A 65 14.169 -4.713 -1.744 1.00 0.00 C ATOM 956 CG GLU A 65 15.045 -5.680 -0.945 1.00 0.00 C ATOM 957 CD GLU A 65 15.990 -4.921 -0.011 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.871 -4.214 -0.547 1.00 0.00 O ATOM 959 OE2 GLU A 65 15.810 -5.064 1.217 1.00 0.00 O ATOM 0 H GLU A 65 12.125 -5.609 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 65 12.724 -4.824 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.784 -4.163 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.726 -3.978 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.414 -6.351 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.625 -6.301 -1.628 1.00 0.00 H new ATOM 966 N ASP A 66 13.467 -7.831 -2.301 1.00 0.00 N ATOM 967 CA ASP A 66 13.926 -9.140 -2.736 1.00 0.00 C ATOM 968 C ASP A 66 12.766 -9.888 -3.396 1.00 0.00 C ATOM 969 O ASP A 66 12.748 -11.118 -3.417 1.00 0.00 O ATOM 970 CB ASP A 66 14.413 -9.975 -1.550 1.00 0.00 C ATOM 971 CG ASP A 66 15.933 -10.051 -1.393 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.476 -9.171 -0.691 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.517 -10.988 -1.979 1.00 0.00 O ATOM 0 H ASP A 66 13.055 -7.812 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 66 14.749 -8.994 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.989 -9.561 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.022 -10.987 -1.653 1.00 0.00 H new ATOM 978 N GLY A 67 11.827 -9.115 -3.920 1.00 0.00 N ATOM 979 CA GLY A 67 10.667 -9.690 -4.580 1.00 0.00 C ATOM 980 C GLY A 67 10.020 -10.769 -3.710 1.00 0.00 C ATOM 981 O GLY A 67 9.402 -11.700 -4.226 1.00 0.00 O ATOM 0 H GLY A 67 11.845 -8.095 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.940 -8.906 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.964 -10.119 -5.537 1.00 0.00 H new ATOM 985 N ASP A 68 10.184 -10.610 -2.405 1.00 0.00 N ATOM 986 CA ASP A 68 9.624 -11.559 -1.458 1.00 0.00 C ATOM 987 C ASP A 68 8.250 -11.065 -0.999 1.00 0.00 C ATOM 988 O ASP A 68 8.142 -10.005 -0.384 1.00 0.00 O ATOM 989 CB ASP A 68 10.515 -11.695 -0.222 1.00 0.00 C ATOM 990 CG ASP A 68 11.564 -12.806 -0.300 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.143 -13.981 -0.351 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.763 -12.454 -0.306 1.00 0.00 O ATOM 0 H ASP A 68 10.697 -9.837 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 68 9.548 -12.526 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.024 -10.746 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.881 -11.875 0.646 1.00 0.00 H new ATOM 997 N ARG A 69 7.236 -11.856 -1.317 1.00 0.00 N ATOM 998 CA ARG A 69 5.874 -11.512 -0.945 1.00 0.00 C ATOM 999 C ARG A 69 5.756 -11.380 0.575 1.00 0.00 C ATOM 1000 O ARG A 69 5.463 -12.355 1.266 1.00 0.00 O ATOM 1001 CB ARG A 69 4.885 -12.570 -1.436 1.00 0.00 C ATOM 1002 CG ARG A 69 4.748 -12.528 -2.959 1.00 0.00 C ATOM 1003 CD ARG A 69 3.807 -11.403 -3.394 1.00 0.00 C ATOM 1004 NE ARG A 69 3.526 -11.510 -4.843 1.00 0.00 N ATOM 1005 CZ ARG A 69 2.761 -12.464 -5.391 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.197 -13.399 -4.615 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.561 -12.483 -6.716 1.00 0.00 N ATOM 0 H ARG A 69 7.330 -12.734 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 69 5.633 -10.559 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.221 -13.559 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.911 -12.404 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.729 -12.382 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.369 -13.484 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.876 -11.458 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.257 -10.435 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 69 3.940 -10.814 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.350 -13.385 -3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.615 -14.125 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.991 -11.771 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.979 -13.209 -7.134 1.00 0.00 H new ATOM 1021 N ILE A 70 5.991 -10.166 1.052 1.00 0.00 N ATOM 1022 CA ILE A 70 5.915 -9.894 2.477 1.00 0.00 C ATOM 1023 C ILE A 70 4.466 -10.048 2.945 1.00 0.00 C ATOM 1024 O ILE A 70 3.566 -10.252 2.132 1.00 0.00 O ATOM 1025 CB ILE A 70 6.521 -8.526 2.794 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.810 -8.299 2.001 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.738 -8.358 4.300 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.731 -9.517 2.093 1.00 0.00 C ATOM 0 H ILE A 70 6.234 -9.360 0.476 1.00 0.00 H new ATOM 0 HA ILE A 70 6.509 -10.618 3.035 1.00 0.00 H new ATOM 0 HB ILE A 70 5.812 -7.759 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.569 -8.099 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.326 -7.418 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.170 -7.377 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.783 -8.445 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.416 -9.132 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.640 -9.330 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.990 -9.700 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.221 -10.391 1.688 1.00 0.00 H new ATOM 1040 N THR A 71 4.287 -9.945 4.253 1.00 0.00 N ATOM 1041 CA THR A 71 2.963 -10.071 4.839 1.00 0.00 C ATOM 1042 C THR A 71 2.716 -8.945 5.845 1.00 0.00 C ATOM 1043 O THR A 71 3.545 -8.696 6.719 1.00 0.00 O ATOM 1044 CB THR A 71 2.847 -11.468 5.450 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.862 -12.342 4.324 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.480 -11.715 6.093 1.00 0.00 C ATOM 0 H THR A 71 5.036 -9.776 4.924 1.00 0.00 H new ATOM 0 HA THR A 71 2.184 -9.966 4.083 1.00 0.00 H new ATOM 0 HB THR A 71 3.630 -11.603 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.792 -13.271 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.451 -12.721 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.315 -10.987 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.699 -11.613 5.339 1.00 0.00 H new ATOM 1054 N VAL A 72 1.572 -8.295 5.689 1.00 0.00 N ATOM 1055 CA VAL A 72 1.206 -7.202 6.573 1.00 0.00 C ATOM 1056 C VAL A 72 -0.017 -7.607 7.398 1.00 0.00 C ATOM 1057 O VAL A 72 -1.120 -7.719 6.865 1.00 0.00 O ATOM 1058 CB VAL A 72 0.983 -5.924 5.761 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.668 -4.740 6.677 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.190 -5.622 4.871 1.00 0.00 C ATOM 0 H VAL A 72 0.886 -8.505 4.963 1.00 0.00 H new ATOM 0 HA VAL A 72 2.014 -6.990 7.273 1.00 0.00 H new ATOM 0 HB VAL A 72 0.121 -6.085 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.514 -3.845 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.235 -4.953 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.501 -4.578 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.005 -4.709 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.076 -5.491 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.350 -6.451 4.181 1.00 0.00 H new ATOM 1070 N ARG A 73 0.219 -7.815 8.685 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.850 -8.205 9.589 1.00 0.00 C ATOM 1072 C ARG A 73 -1.150 -7.074 10.575 1.00 0.00 C ATOM 1073 O ARG A 73 -2.270 -6.957 11.068 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.478 -9.468 10.368 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.703 -10.721 9.520 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.073 -11.918 10.398 1.00 0.00 C ATOM 1077 NE ARG A 73 0.112 -12.376 11.156 1.00 0.00 N ATOM 1078 CZ ARG A 73 1.130 -13.061 10.618 1.00 0.00 C ATOM 1079 NH1 ARG A 73 1.113 -13.372 9.314 1.00 0.00 N ATOM 1080 NH2 ARG A 73 2.165 -13.435 11.382 1.00 0.00 N ATOM 0 H ARG A 73 1.135 -7.721 9.124 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.735 -8.411 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.566 -9.415 10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.076 -9.528 11.278 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.497 -10.537 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.200 -10.947 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.871 -11.641 11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.454 -12.730 9.778 1.00 0.00 H new ATOM 0 HE ARG A 73 0.157 -12.156 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.325 -13.087 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.888 -13.893 8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.178 -13.198 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.940 -13.957 10.972 1.00 0.00 H new ATOM 1094 N SER A 74 -0.128 -6.271 10.834 1.00 0.00 N ATOM 1095 CA SER A 74 -0.268 -5.155 11.753 1.00 0.00 C ATOM 1096 C SER A 74 0.340 -3.892 11.139 1.00 0.00 C ATOM 1097 O SER A 74 1.082 -3.969 10.161 1.00 0.00 O ATOM 1098 CB SER A 74 0.393 -5.462 13.098 1.00 0.00 C ATOM 1099 OG SER A 74 1.814 -5.510 12.996 1.00 0.00 O ATOM 0 H SER A 74 0.800 -6.371 10.423 1.00 0.00 H new ATOM 0 HA SER A 74 -1.331 -4.990 11.931 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.107 -4.701 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.024 -6.416 13.474 1.00 0.00 H new ATOM 0 HG SER A 74 2.199 -5.707 13.876 1.00 0.00 H new ATOM 1105 N ASP A 75 0.003 -2.760 11.739 1.00 0.00 N ATOM 1106 CA ASP A 75 0.507 -1.482 11.263 1.00 0.00 C ATOM 1107 C ASP A 75 2.022 -1.575 11.073 1.00 0.00 C ATOM 1108 O ASP A 75 2.561 -1.059 10.095 1.00 0.00 O ATOM 1109 CB ASP A 75 0.225 -0.368 12.273 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.577 0.814 11.725 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.219 1.280 10.622 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.530 1.225 12.422 1.00 0.00 O ATOM 0 H ASP A 75 -0.613 -2.701 12.550 1.00 0.00 H new ATOM 0 HA ASP A 75 0.007 -1.251 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.315 -0.793 13.119 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.175 0.004 12.656 1.00 0.00 H new ATOM 1117 N GLU A 76 2.666 -2.238 12.022 1.00 0.00 N ATOM 1118 CA GLU A 76 4.109 -2.405 11.971 1.00 0.00 C ATOM 1119 C GLU A 76 4.550 -2.772 10.553 1.00 0.00 C ATOM 1120 O GLU A 76 5.266 -2.010 9.905 1.00 0.00 O ATOM 1121 CB GLU A 76 4.575 -3.457 12.980 1.00 0.00 C ATOM 1122 CG GLU A 76 5.692 -2.907 13.868 1.00 0.00 C ATOM 1123 CD GLU A 76 5.292 -2.954 15.345 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.077 -4.082 15.839 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.210 -1.861 15.945 1.00 0.00 O ATOM 0 H GLU A 76 2.215 -2.666 12.831 1.00 0.00 H new ATOM 0 HA GLU A 76 4.575 -1.458 12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.734 -3.770 13.599 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.928 -4.342 12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.602 -3.487 13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.917 -1.880 13.581 1.00 0.00 H new ATOM 1132 N GLU A 77 4.105 -3.940 10.112 1.00 0.00 N ATOM 1133 CA GLU A 77 4.446 -4.417 8.782 1.00 0.00 C ATOM 1134 C GLU A 77 4.137 -3.343 7.738 1.00 0.00 C ATOM 1135 O GLU A 77 4.934 -3.106 6.832 1.00 0.00 O ATOM 1136 CB GLU A 77 3.711 -5.720 8.463 1.00 0.00 C ATOM 1137 CG GLU A 77 4.422 -6.919 9.093 1.00 0.00 C ATOM 1138 CD GLU A 77 5.114 -6.523 10.398 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.378 -6.250 11.371 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.364 -6.501 10.393 1.00 0.00 O ATOM 0 H GLU A 77 3.512 -4.570 10.652 1.00 0.00 H new ATOM 0 HA GLU A 77 5.516 -4.625 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.687 -5.664 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.653 -5.854 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.701 -7.713 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.157 -7.319 8.394 1.00 0.00 H new ATOM 1147 N MET A 78 2.978 -2.722 7.899 1.00 0.00 N ATOM 1148 CA MET A 78 2.554 -1.678 6.981 1.00 0.00 C ATOM 1149 C MET A 78 3.642 -0.615 6.818 1.00 0.00 C ATOM 1150 O MET A 78 4.254 -0.505 5.757 1.00 0.00 O ATOM 1151 CB MET A 78 1.275 -1.024 7.507 1.00 0.00 C ATOM 1152 CG MET A 78 0.099 -1.277 6.561 1.00 0.00 C ATOM 1153 SD MET A 78 -0.024 0.048 5.372 1.00 0.00 S ATOM 1154 CE MET A 78 -0.766 1.311 6.392 1.00 0.00 C ATOM 0 H MET A 78 2.319 -2.922 8.652 1.00 0.00 H new ATOM 0 HA MET A 78 2.367 -2.131 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.042 -1.418 8.496 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.431 0.049 7.620 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.234 -2.228 6.045 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.827 -1.352 7.131 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.763 1.543 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.839 0.953 7.419 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.150 2.210 6.364 1.00 0.00 H new ATOM 1164 N LYS A 79 3.851 0.141 7.886 1.00 0.00 N ATOM 1165 CA LYS A 79 4.855 1.191 7.876 1.00 0.00 C ATOM 1166 C LYS A 79 6.118 0.675 7.184 1.00 0.00 C ATOM 1167 O LYS A 79 6.739 1.394 6.401 1.00 0.00 O ATOM 1168 CB LYS A 79 5.099 1.713 9.293 1.00 0.00 C ATOM 1169 CG LYS A 79 4.450 3.084 9.491 1.00 0.00 C ATOM 1170 CD LYS A 79 5.283 3.953 10.436 1.00 0.00 C ATOM 1171 CE LYS A 79 4.689 3.954 11.846 1.00 0.00 C ATOM 1172 NZ LYS A 79 3.392 4.667 11.862 1.00 0.00 N ATOM 0 H LYS A 79 3.342 0.047 8.765 1.00 0.00 H new ATOM 0 HA LYS A 79 4.504 2.049 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.695 1.007 10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.171 1.784 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.346 3.584 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.446 2.960 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.307 3.582 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.326 4.973 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.551 2.929 12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.382 4.432 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.199 5.016 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.430 5.471 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.635 4.016 11.571 1.00 0.00 H new ATOM 1186 N ALA A 80 6.461 -0.566 7.496 1.00 0.00 N ATOM 1187 CA ALA A 80 7.640 -1.185 6.914 1.00 0.00 C ATOM 1188 C ALA A 80 7.458 -1.293 5.399 1.00 0.00 C ATOM 1189 O ALA A 80 8.309 -0.841 4.635 1.00 0.00 O ATOM 1190 CB ALA A 80 7.878 -2.547 7.571 1.00 0.00 C ATOM 0 H ALA A 80 5.943 -1.160 8.144 1.00 0.00 H new ATOM 0 HA ALA A 80 8.524 -0.575 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.762 -3.012 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.030 -2.413 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.012 -3.188 7.405 1.00 0.00 H new ATOM 1196 N MET A 81 6.343 -1.894 5.010 1.00 0.00 N ATOM 1197 CA MET A 81 6.039 -2.067 3.600 1.00 0.00 C ATOM 1198 C MET A 81 6.136 -0.736 2.851 1.00 0.00 C ATOM 1199 O MET A 81 6.623 -0.688 1.722 1.00 0.00 O ATOM 1200 CB MET A 81 4.628 -2.637 3.448 1.00 0.00 C ATOM 1201 CG MET A 81 4.255 -2.792 1.972 1.00 0.00 C ATOM 1202 SD MET A 81 2.547 -3.289 1.822 1.00 0.00 S ATOM 1203 CE MET A 81 1.740 -1.737 2.179 1.00 0.00 C ATOM 0 H MET A 81 5.639 -2.267 5.647 1.00 0.00 H new ATOM 0 HA MET A 81 6.767 -2.757 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.567 -3.605 3.946 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.911 -1.980 3.941 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.416 -1.850 1.447 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.901 -3.533 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.321 -1.768 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.465 -0.926 2.113 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.940 -1.568 1.458 1.00 0.00 H new ATOM 1213 N LEU A 82 5.664 0.313 3.509 1.00 0.00 N ATOM 1214 CA LEU A 82 5.692 1.641 2.920 1.00 0.00 C ATOM 1215 C LEU A 82 7.118 2.192 2.981 1.00 0.00 C ATOM 1216 O LEU A 82 7.589 2.811 2.029 1.00 0.00 O ATOM 1217 CB LEU A 82 4.654 2.545 3.589 1.00 0.00 C ATOM 1218 CG LEU A 82 3.198 2.313 3.177 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.255 2.506 4.366 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.816 3.202 1.992 1.00 0.00 C ATOM 0 H LEU A 82 5.260 0.270 4.445 1.00 0.00 H new ATOM 0 HA LEU A 82 5.412 1.597 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.730 2.416 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.911 3.582 3.373 1.00 0.00 H new ATOM 0 HG LEU A 82 3.096 1.278 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.227 2.335 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.513 1.798 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.353 3.523 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.777 3.018 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.938 4.249 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.460 2.973 1.143 1.00 0.00 H new ATOM 1232 N SER A 83 7.765 1.947 4.111 1.00 0.00 N ATOM 1233 CA SER A 83 9.127 2.411 4.309 1.00 0.00 C ATOM 1234 C SER A 83 10.031 1.867 3.200 1.00 0.00 C ATOM 1235 O SER A 83 11.068 2.455 2.896 1.00 0.00 O ATOM 1236 CB SER A 83 9.659 1.991 5.681 1.00 0.00 C ATOM 1237 OG SER A 83 11.033 2.328 5.847 1.00 0.00 O ATOM 0 H SER A 83 7.371 1.433 4.899 1.00 0.00 H new ATOM 0 HA SER A 83 9.126 3.500 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.071 2.474 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.532 0.916 5.805 1.00 0.00 H new ATOM 0 HG SER A 83 11.334 2.045 6.736 1.00 0.00 H new ATOM 1243 N TYR A 84 9.605 0.751 2.627 1.00 0.00 N ATOM 1244 CA TYR A 84 10.363 0.122 1.559 1.00 0.00 C ATOM 1245 C TYR A 84 10.003 0.727 0.201 1.00 0.00 C ATOM 1246 O TYR A 84 10.849 1.326 -0.460 1.00 0.00 O ATOM 1247 CB TYR A 84 9.961 -1.354 1.570 1.00 0.00 C ATOM 1248 CG TYR A 84 9.793 -1.963 0.176 1.00 0.00 C ATOM 1249 CD1 TYR A 84 10.795 -1.827 -0.762 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.638 -2.649 -0.142 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.637 -2.400 -2.074 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.480 -3.222 -1.454 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.487 -3.069 -2.355 1.00 0.00 C ATOM 1254 OH TYR A 84 9.337 -3.611 -3.593 1.00 0.00 O ATOM 0 H TYR A 84 8.745 0.266 2.882 1.00 0.00 H new ATOM 0 HA TYR A 84 11.433 0.265 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.715 -1.922 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.025 -1.461 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.699 -1.291 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.853 -2.756 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.414 -2.301 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.582 -3.761 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 84 8.769 -4.407 -3.535 1.00 0.00 H new ATOM 1264 N TYR A 85 8.745 0.549 -0.175 1.00 0.00 N ATOM 1265 CA TYR A 85 8.262 1.070 -1.443 1.00 0.00 C ATOM 1266 C TYR A 85 8.884 2.434 -1.748 1.00 0.00 C ATOM 1267 O TYR A 85 9.313 2.687 -2.872 1.00 0.00 O ATOM 1268 CB TYR A 85 6.749 1.236 -1.281 1.00 0.00 C ATOM 1269 CG TYR A 85 6.033 1.684 -2.557 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.848 0.792 -3.593 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.571 2.979 -2.671 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.174 1.213 -4.794 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.897 3.400 -3.872 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.732 2.496 -4.874 1.00 0.00 C ATOM 1275 OH TYR A 85 4.095 2.894 -6.008 1.00 0.00 O ATOM 0 H TYR A 85 8.046 0.051 0.376 1.00 0.00 H new ATOM 0 HA TYR A 85 8.524 0.397 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.323 0.289 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.556 1.964 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.209 -0.222 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.715 3.677 -1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.023 0.525 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.531 4.411 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 85 4.357 2.312 -6.752 1.00 0.00 H new ATOM 1285 N TYR A 86 8.912 3.277 -0.726 1.00 0.00 N ATOM 1286 CA TYR A 86 9.475 4.609 -0.871 1.00 0.00 C ATOM 1287 C TYR A 86 11.000 4.552 -0.977 1.00 0.00 C ATOM 1288 O TYR A 86 11.596 5.261 -1.786 1.00 0.00 O ATOM 1289 CB TYR A 86 9.092 5.369 0.401 1.00 0.00 C ATOM 1290 CG TYR A 86 7.583 5.484 0.627 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.725 5.526 -0.453 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.081 5.545 1.911 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.305 5.634 -0.240 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.660 5.653 2.123 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.843 5.692 1.037 1.00 0.00 C ATOM 1296 OH TYR A 86 3.501 5.794 1.238 1.00 0.00 O ATOM 0 H TYR A 86 8.554 3.064 0.205 1.00 0.00 H new ATOM 0 HA TYR A 86 9.098 5.088 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.540 4.869 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.520 6.371 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.118 5.478 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.753 5.512 2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.622 5.668 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.253 5.702 3.122 1.00 0.00 H new ATOM 0 HH TYR A 86 3.041 5.812 0.373 1.00 0.00 H new ATOM 1306 N SER A 87 11.587 3.701 -0.149 1.00 0.00 N ATOM 1307 CA SER A 87 13.031 3.542 -0.139 1.00 0.00 C ATOM 1308 C SER A 87 13.524 3.148 -1.533 1.00 0.00 C ATOM 1309 O SER A 87 14.642 3.486 -1.919 1.00 0.00 O ATOM 1310 CB SER A 87 13.464 2.497 0.891 1.00 0.00 C ATOM 1311 OG SER A 87 14.831 2.126 0.735 1.00 0.00 O ATOM 0 H SER A 87 11.089 3.114 0.520 1.00 0.00 H new ATOM 0 HA SER A 87 13.477 4.496 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.308 2.892 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.835 1.612 0.795 1.00 0.00 H new ATOM 0 HG SER A 87 15.068 1.459 1.412 1.00 0.00 H new ATOM 1317 N THR A 88 12.665 2.438 -2.251 1.00 0.00 N ATOM 1318 CA THR A 88 12.998 1.995 -3.593 1.00 0.00 C ATOM 1319 C THR A 88 12.439 2.970 -4.631 1.00 0.00 C ATOM 1320 O THR A 88 13.149 3.381 -5.548 1.00 0.00 O ATOM 1321 CB THR A 88 12.481 0.565 -3.761 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.456 -0.063 -4.589 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.194 0.501 -4.588 1.00 0.00 C ATOM 0 H THR A 88 11.739 2.159 -1.927 1.00 0.00 H new ATOM 0 HA THR A 88 14.077 1.986 -3.750 1.00 0.00 H new ATOM 0 HB THR A 88 12.305 0.126 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.199 -0.996 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.870 -0.536 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.416 1.084 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.379 0.910 -5.581 1.00 0.00 H new ATOM 1331 N VAL A 89 11.171 3.311 -4.452 1.00 0.00 N ATOM 1332 CA VAL A 89 10.508 4.230 -5.362 1.00 0.00 C ATOM 1333 C VAL A 89 11.406 5.447 -5.595 1.00 0.00 C ATOM 1334 O VAL A 89 11.554 5.907 -6.726 1.00 0.00 O ATOM 1335 CB VAL A 89 9.127 4.601 -4.817 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.659 5.945 -5.378 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.108 3.499 -5.112 1.00 0.00 C ATOM 0 H VAL A 89 10.585 2.968 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 89 10.344 3.757 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 89 9.209 4.701 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.675 6.185 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.367 6.724 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.601 5.885 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.135 3.787 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.031 3.354 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.431 2.570 -4.643 1.00 0.00 H new ATOM 1347 N MET A 90 11.981 5.935 -4.505 1.00 0.00 N ATOM 1348 CA MET A 90 12.860 7.090 -4.576 1.00 0.00 C ATOM 1349 C MET A 90 14.098 6.785 -5.423 1.00 0.00 C ATOM 1350 O MET A 90 14.694 7.690 -6.004 1.00 0.00 O ATOM 1351 CB MET A 90 13.293 7.490 -3.164 1.00 0.00 C ATOM 1352 CG MET A 90 14.458 6.623 -2.681 1.00 0.00 C ATOM 1353 SD MET A 90 16.008 7.347 -3.189 1.00 0.00 S ATOM 1354 CE MET A 90 16.868 7.367 -1.624 1.00 0.00 C ATOM 0 H MET A 90 11.855 5.552 -3.568 1.00 0.00 H new ATOM 0 HA MET A 90 12.315 7.910 -5.044 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.587 8.539 -3.154 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.451 7.388 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.428 6.531 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.366 5.616 -3.088 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.862 7.792 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.310 7.972 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.958 6.349 -1.245 1.00 0.00 H new ATOM 1364 N GLU A 91 14.448 5.508 -5.465 1.00 0.00 N ATOM 1365 CA GLU A 91 15.604 5.073 -6.230 1.00 0.00 C ATOM 1366 C GLU A 91 15.239 4.934 -7.709 1.00 0.00 C ATOM 1367 O GLU A 91 16.113 4.970 -8.574 1.00 0.00 O ATOM 1368 CB GLU A 91 16.165 3.762 -5.678 1.00 0.00 C ATOM 1369 CG GLU A 91 17.089 4.020 -4.486 1.00 0.00 C ATOM 1370 CD GLU A 91 18.546 4.139 -4.937 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.781 4.894 -5.905 1.00 0.00 O ATOM 1372 OE2 GLU A 91 19.393 3.472 -4.303 1.00 0.00 O ATOM 0 H GLU A 91 13.951 4.760 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 91 16.383 5.830 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.345 3.111 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.713 3.239 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.786 4.936 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.993 3.208 -3.765 1.00 0.00 H new ATOM 1379 N GLN A 92 13.946 4.777 -7.955 1.00 0.00 N ATOM 1380 CA GLN A 92 13.455 4.632 -9.315 1.00 0.00 C ATOM 1381 C GLN A 92 13.467 5.984 -10.030 1.00 0.00 C ATOM 1382 O GLN A 92 13.564 6.041 -11.255 1.00 0.00 O ATOM 1383 CB GLN A 92 12.054 4.016 -9.329 1.00 0.00 C ATOM 1384 CG GLN A 92 12.112 2.515 -9.036 1.00 0.00 C ATOM 1385 CD GLN A 92 10.843 1.812 -9.523 1.00 0.00 C ATOM 1386 OE1 GLN A 92 10.074 1.261 -8.753 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.668 1.863 -10.840 1.00 0.00 N ATOM 0 H GLN A 92 13.224 4.747 -7.235 1.00 0.00 H new ATOM 0 HA GLN A 92 14.119 3.954 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.428 4.511 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.589 4.183 -10.301 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.984 2.079 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.233 2.354 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.351 2.341 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.850 1.424 -11.263 1.00 0.00 H new ATOM 1396 N GLN A 93 13.366 7.039 -9.236 1.00 0.00 N ATOM 1397 CA GLN A 93 13.364 8.387 -9.778 1.00 0.00 C ATOM 1398 C GLN A 93 14.797 8.894 -9.946 1.00 0.00 C ATOM 1399 O GLN A 93 15.127 9.510 -10.959 1.00 0.00 O ATOM 1400 CB GLN A 93 12.548 9.333 -8.894 1.00 0.00 C ATOM 1401 CG GLN A 93 11.124 8.808 -8.698 1.00 0.00 C ATOM 1402 CD GLN A 93 10.103 9.943 -8.801 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.248 10.875 -9.575 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.066 9.814 -7.978 1.00 0.00 N ATOM 0 H GLN A 93 13.285 6.988 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 93 12.891 8.362 -10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.036 9.443 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.515 10.323 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.906 8.048 -9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.041 8.326 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.006 9.008 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.330 10.521 -7.970 1.00 0.00 H new ATOM 1413 N VAL A 94 15.612 8.616 -8.939 1.00 0.00 N ATOM 1414 CA VAL A 94 17.002 9.036 -8.962 1.00 0.00 C ATOM 1415 C VAL A 94 17.736 8.294 -10.082 1.00 0.00 C ATOM 1416 O VAL A 94 18.668 8.830 -10.678 1.00 0.00 O ATOM 1417 CB VAL A 94 17.637 8.821 -7.587 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.745 9.381 -6.477 1.00 0.00 C ATOM 1419 CG2 VAL A 94 17.944 7.341 -7.350 1.00 0.00 C ATOM 0 H VAL A 94 15.335 8.104 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 94 17.075 10.102 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 94 18.581 9.366 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.220 9.215 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.600 10.450 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.779 8.877 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.395 7.216 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.020 6.765 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.636 6.986 -8.114 1.00 0.00 H new ATOM 1429 N ASN A 95 17.286 7.074 -10.333 1.00 0.00 N ATOM 1430 CA ASN A 95 17.888 6.253 -11.370 1.00 0.00 C ATOM 1431 C ASN A 95 17.528 6.828 -12.742 1.00 0.00 C ATOM 1432 O ASN A 95 18.408 7.073 -13.566 1.00 0.00 O ATOM 1433 CB ASN A 95 17.366 4.817 -11.308 1.00 0.00 C ATOM 1434 CG ASN A 95 18.262 3.945 -10.425 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.637 2.839 -10.778 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.581 4.503 -9.261 1.00 0.00 N ATOM 0 H ASN A 95 16.511 6.634 -9.836 1.00 0.00 H new ATOM 0 HA ASN A 95 18.967 6.251 -11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.349 4.813 -10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.322 4.398 -12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.174 4.001 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.232 5.433 -9.029 1.00 0.00 H new ATOM 1443 N GLY A 96 16.234 7.027 -12.944 1.00 0.00 N ATOM 1444 CA GLY A 96 15.748 7.568 -14.201 1.00 0.00 C ATOM 1445 C GLY A 96 14.703 6.643 -14.829 1.00 0.00 C ATOM 1446 O GLY A 96 14.685 6.456 -16.045 1.00 0.00 O ATOM 0 H GLY A 96 15.507 6.823 -12.258 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.313 8.553 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.582 7.701 -14.890 1.00 0.00 H new ATOM 1450 N GLN A 97 13.859 6.089 -13.972 1.00 0.00 N ATOM 1451 CA GLN A 97 12.814 5.187 -14.428 1.00 0.00 C ATOM 1452 C GLN A 97 11.484 5.534 -13.755 1.00 0.00 C ATOM 1453 O GLN A 97 11.464 6.167 -12.701 1.00 0.00 O ATOM 1454 CB GLN A 97 13.196 3.729 -14.168 1.00 0.00 C ATOM 1455 CG GLN A 97 14.302 3.274 -15.122 1.00 0.00 C ATOM 1456 CD GLN A 97 14.082 1.826 -15.565 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.070 0.901 -14.770 1.00 0.00 O ATOM 1458 NE2 GLN A 97 13.910 1.682 -16.876 1.00 0.00 N ATOM 0 H GLN A 97 13.877 6.247 -12.964 1.00 0.00 H new ATOM 0 HA GLN A 97 12.698 5.311 -15.505 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.531 3.615 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.320 3.092 -14.291 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.325 3.926 -15.995 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.271 3.365 -14.631 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.932 2.499 -17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.757 0.754 -17.271 1.00 0.00 H new ATOM 1467 N LEU A 98 10.405 5.103 -14.393 1.00 0.00 N ATOM 1468 CA LEU A 98 9.074 5.360 -13.870 1.00 0.00 C ATOM 1469 C LEU A 98 8.887 4.587 -12.562 1.00 0.00 C ATOM 1470 O LEU A 98 9.657 3.677 -12.260 1.00 0.00 O ATOM 1471 CB LEU A 98 8.013 5.047 -14.926 1.00 0.00 C ATOM 1472 CG LEU A 98 8.376 3.957 -15.938 1.00 0.00 C ATOM 1473 CD1 LEU A 98 8.992 2.744 -15.240 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.163 3.574 -16.789 1.00 0.00 C ATOM 0 H LEU A 98 10.426 4.578 -15.267 1.00 0.00 H new ATOM 0 HA LEU A 98 8.955 6.418 -13.636 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.097 4.751 -14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.791 5.964 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 98 9.131 4.357 -16.615 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.241 1.985 -15.982 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.897 3.048 -14.714 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.278 2.334 -14.526 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.448 2.798 -17.500 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.369 3.201 -16.143 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.808 4.450 -17.331 1.00 0.00 H new ATOM 1486 N ILE A 99 7.860 4.979 -11.822 1.00 0.00 N ATOM 1487 CA ILE A 99 7.562 4.334 -10.555 1.00 0.00 C ATOM 1488 C ILE A 99 6.494 3.261 -10.772 1.00 0.00 C ATOM 1489 O ILE A 99 5.623 3.411 -11.628 1.00 0.00 O ATOM 1490 CB ILE A 99 7.182 5.376 -9.500 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.204 6.514 -9.460 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.995 4.725 -8.129 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.514 6.051 -8.819 1.00 0.00 C ATOM 0 H ILE A 99 7.224 5.735 -12.076 1.00 0.00 H new ATOM 0 HA ILE A 99 8.447 3.829 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 99 6.224 5.814 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.396 6.871 -10.472 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.797 7.354 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.726 5.487 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.202 3.980 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.924 4.243 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.223 6.878 -8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.322 5.717 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.931 5.227 -9.398 1.00 0.00 H new ATOM 1505 N GLU A 100 6.595 2.202 -9.982 1.00 0.00 N ATOM 1506 CA GLU A 100 5.648 1.104 -10.078 1.00 0.00 C ATOM 1507 C GLU A 100 4.667 1.146 -8.904 1.00 0.00 C ATOM 1508 O GLU A 100 5.003 1.633 -7.826 1.00 0.00 O ATOM 1509 CB GLU A 100 6.374 -0.242 -10.138 1.00 0.00 C ATOM 1510 CG GLU A 100 7.246 -0.339 -11.391 1.00 0.00 C ATOM 1511 CD GLU A 100 6.414 -0.751 -12.607 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.448 -0.018 -12.909 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.764 -1.791 -13.207 1.00 0.00 O ATOM 0 H GLU A 100 7.318 2.081 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 100 5.083 1.216 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.993 -0.365 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.645 -1.053 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.724 0.622 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.043 -1.064 -11.228 1.00 0.00 H new ATOM 1520 N PRO A 101 3.441 0.616 -9.161 1.00 0.00 N ATOM 1521 CA PRO A 101 2.408 0.588 -8.139 1.00 0.00 C ATOM 1522 C PRO A 101 2.697 -0.495 -7.098 1.00 0.00 C ATOM 1523 O PRO A 101 3.136 -1.591 -7.442 1.00 0.00 O ATOM 1524 CB PRO A 101 1.112 0.354 -8.897 1.00 0.00 C ATOM 1525 CG PRO A 101 1.515 -0.203 -10.252 1.00 0.00 C ATOM 1526 CD PRO A 101 3.007 0.031 -10.427 1.00 0.00 C ATOM 0 HA PRO A 101 2.357 1.514 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.468 -0.345 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.551 1.282 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.286 -1.267 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.956 0.288 -11.048 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.533 -0.901 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.207 0.702 -11.263 1.00 0.00 H new ATOM 1534 N LEU A 102 2.438 -0.150 -5.845 1.00 0.00 N ATOM 1535 CA LEU A 102 2.665 -1.079 -4.751 1.00 0.00 C ATOM 1536 C LEU A 102 1.878 -2.365 -5.009 1.00 0.00 C ATOM 1537 O LEU A 102 0.739 -2.501 -4.563 1.00 0.00 O ATOM 1538 CB LEU A 102 2.339 -0.417 -3.410 1.00 0.00 C ATOM 1539 CG LEU A 102 2.656 -1.242 -2.161 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.066 -1.831 -2.236 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.446 -0.415 -0.891 1.00 0.00 C ATOM 0 H LEU A 102 2.073 0.760 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 102 3.718 -1.354 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.887 0.523 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.278 -0.169 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 102 1.960 -2.080 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.266 -2.413 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.144 -2.477 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.794 -1.024 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.678 -1.024 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.102 0.455 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.408 -0.086 -0.839 1.00 0.00 H new ATOM 1553 N GLN A 103 2.516 -3.277 -5.728 1.00 0.00 N ATOM 1554 CA GLN A 103 1.890 -4.548 -6.051 1.00 0.00 C ATOM 1555 C GLN A 103 1.630 -5.351 -4.774 1.00 0.00 C ATOM 1556 O GLN A 103 2.558 -5.896 -4.180 1.00 0.00 O ATOM 1557 CB GLN A 103 2.746 -5.346 -7.036 1.00 0.00 C ATOM 1558 CG GLN A 103 1.934 -6.472 -7.680 1.00 0.00 C ATOM 1559 CD GLN A 103 2.689 -7.085 -8.861 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.677 -6.555 -9.342 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.171 -8.229 -9.300 1.00 0.00 N ATOM 0 H GLN A 103 3.460 -3.161 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 103 0.933 -4.348 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.131 -4.682 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.608 -5.765 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.723 -7.243 -6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.973 -6.084 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.342 -8.618 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.603 -8.717 -10.085 1.00 0.00 H new ATOM 1570 N ILE A 104 0.362 -5.398 -4.391 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.032 -6.125 -3.197 1.00 0.00 C ATOM 1572 C ILE A 104 -1.051 -7.203 -3.573 1.00 0.00 C ATOM 1573 O ILE A 104 -1.449 -7.307 -4.732 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.529 -5.158 -2.120 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.807 -4.448 -2.570 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.568 -4.168 -1.724 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.610 -3.949 -1.366 1.00 0.00 C ATOM 0 H ILE A 104 -0.405 -4.944 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 104 0.827 -6.636 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.778 -5.736 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.552 -3.607 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.418 -5.130 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.189 -3.492 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.427 -4.714 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.871 -3.592 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.514 -3.448 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.884 -4.795 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.005 -3.248 -0.790 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.443 -7.977 -2.572 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.408 -9.042 -2.784 1.00 0.00 C ATOM 1591 C PHE A 105 -3.306 -9.221 -1.557 1.00 0.00 C ATOM 1592 O PHE A 105 -2.817 -9.297 -0.432 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.612 -10.329 -3.010 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.610 -10.246 -4.163 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.597 -9.649 -3.975 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.928 -10.769 -5.378 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.527 -9.573 -5.045 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.002 -10.692 -6.449 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.209 -10.096 -6.260 1.00 0.00 C ATOM 0 H PHE A 105 -1.110 -7.888 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.045 -8.802 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.076 -10.579 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.308 -11.145 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.848 -9.232 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.887 -11.242 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.486 -9.100 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.250 -11.107 -7.414 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.916 -10.038 -7.075 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.638 -9.284 -1.824 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.608 -9.452 -0.756 1.00 0.00 C ATOM 1611 C PRO A 106 -5.608 -10.892 -0.238 1.00 0.00 C ATOM 1612 O PRO A 106 -6.300 -11.751 -0.781 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.938 -9.040 -1.364 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.745 -9.101 -2.871 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.253 -9.197 -3.146 1.00 0.00 C ATOM 0 HA PRO A 106 -5.380 -8.844 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.737 -9.709 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.218 -8.036 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.266 -9.963 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.164 -8.214 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.017 -10.073 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.894 -8.325 -3.693 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.825 -11.110 0.808 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.726 -12.431 1.406 1.00 0.00 C ATOM 1625 C ARG A 107 -6.096 -13.113 1.416 1.00 0.00 C ATOM 1626 O ARG A 107 -6.242 -14.226 0.913 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.195 -12.348 2.839 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.670 -12.471 2.866 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.199 -13.174 4.140 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.509 -14.437 3.796 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.131 -15.614 3.639 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -3.459 -15.695 3.794 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.424 -16.708 3.326 1.00 0.00 N ATOM 0 H ARG A 107 -4.253 -10.394 1.257 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.029 -13.016 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.495 -11.401 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.638 -13.141 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.331 -13.028 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.221 -11.480 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.526 -12.522 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.051 -13.380 4.788 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.497 -14.410 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.997 -14.861 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.933 -16.590 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.413 -16.645 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.897 -17.604 3.206 1.00 0.00 H new