USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 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 84 ASN : amide:sc= 0.00561 X(o=-0.34,f=-0.35) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.349 K(o=-0.34,f=-1.6) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -120:sc= 0.514 (180deg=-2.06) USER MOD Set 2.2: A 62 GLN : amide:sc= -0.0949 X(o=0.42,f=0.6) USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.575 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 33 SER OG : rot 20:sc= 0.361 USER MOD Single : A 37 GLN : amide:sc= -0.554 K(o=-0.55,f=-2.2!) USER MOD Single : A 43 SER OG : rot 95:sc= 0.382 USER MOD Single : A 44 MET CE :methyl 149:sc= -2.09! (180deg=-2.24!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 46 ASN : amide:sc= -1.04! C(o=-1!,f=-1!) USER MOD Single : A 51 ASN : amide:sc= -0.89 K(o=-0.89,f=-3.9!) USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.119 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -5.44! C(o=-9.1!,f=-5.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0333 (180deg=-0.256) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -177:sc= -2.56 (180deg=-2.67) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.073 -1.974 -5.367 1.00 0.00 N ATOM 191 CA THR A 16 -10.898 -0.906 -4.816 1.00 0.00 C ATOM 192 C THR A 16 -11.738 -1.408 -3.647 1.00 0.00 C ATOM 193 O THR A 16 -12.816 -1.971 -3.842 1.00 0.00 O ATOM 194 CB THR A 16 -11.832 -0.309 -5.885 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.599 -1.349 -6.501 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.034 0.435 -6.946 1.00 0.00 C ATOM 0 HA THR A 16 -10.218 -0.130 -4.465 1.00 0.00 H new ATOM 0 HB THR A 16 -12.504 0.397 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.941 -1.955 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.715 0.848 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.473 1.244 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.342 -0.254 -7.430 1.00 0.00 H new ATOM 204 N ILE A 17 -11.239 -1.200 -2.433 1.00 0.00 N ATOM 205 CA ILE A 17 -11.946 -1.631 -1.233 1.00 0.00 C ATOM 206 C ILE A 17 -12.094 -0.482 -0.242 1.00 0.00 C ATOM 207 O ILE A 17 -11.104 0.066 0.242 1.00 0.00 O ATOM 208 CB ILE A 17 -11.221 -2.800 -0.542 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.116 -3.996 -1.491 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.947 -3.193 0.736 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.095 -5.025 -1.056 1.00 0.00 C ATOM 0 H ILE A 17 -10.348 -0.736 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.934 -1.965 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.213 -2.479 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.092 -4.475 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.857 -3.637 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.422 -4.021 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.974 -2.341 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.965 -3.499 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.075 -5.844 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.110 -4.561 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.364 -5.412 -0.073 1.00 0.00 H new ATOM 223 N ILE A 18 -13.338 -0.124 0.058 1.00 0.00 N ATOM 224 CA ILE A 18 -13.617 0.958 0.995 1.00 0.00 C ATOM 225 C ILE A 18 -13.806 0.424 2.411 1.00 0.00 C ATOM 226 O ILE A 18 -14.564 -0.521 2.634 1.00 0.00 O ATOM 227 CB ILE A 18 -14.873 1.748 0.585 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.756 2.218 -0.866 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.081 2.933 1.516 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.684 3.265 -1.077 1.00 0.00 C ATOM 0 H ILE A 18 -14.169 -0.567 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.755 1.625 0.972 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.739 1.091 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.543 1.359 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.716 2.622 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.973 3.482 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.205 2.575 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.215 3.592 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.657 3.552 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.906 4.141 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.715 2.858 -0.787 1.00 0.00 H new ATOM 242 N LEU A 19 -13.113 1.035 3.365 1.00 0.00 N ATOM 243 CA LEU A 19 -13.205 0.623 4.761 1.00 0.00 C ATOM 244 C LEU A 19 -14.199 1.495 5.522 1.00 0.00 C ATOM 245 O LEU A 19 -14.203 2.721 5.406 1.00 0.00 O ATOM 246 CB LEU A 19 -11.830 0.698 5.428 1.00 0.00 C ATOM 247 CG LEU A 19 -11.618 -0.219 6.633 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.561 -1.674 6.194 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.348 0.166 7.378 1.00 0.00 C ATOM 0 H LEU A 19 -12.481 1.818 3.197 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.559 -0.408 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.072 0.463 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.658 1.727 5.745 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.464 -0.099 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.410 -2.311 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.497 -1.944 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.735 -1.811 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.212 -0.497 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.492 0.075 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.429 1.196 7.727 1.00 0.00 H new ATOM 261 N PRO A 20 -15.062 0.850 6.321 1.00 0.00 N ATOM 262 CA PRO A 20 -16.075 1.547 7.119 1.00 0.00 C ATOM 263 C PRO A 20 -15.462 2.347 8.263 1.00 0.00 C ATOM 264 O PRO A 20 -14.242 2.464 8.366 1.00 0.00 O ATOM 265 CB PRO A 20 -16.941 0.409 7.665 1.00 0.00 C ATOM 266 CG PRO A 20 -16.041 -0.778 7.680 1.00 0.00 C ATOM 267 CD PRO A 20 -15.115 -0.610 6.507 1.00 0.00 C ATOM 0 HA PRO A 20 -16.629 2.276 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.311 0.638 8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.813 0.237 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.482 -0.832 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.613 -1.702 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.128 -1.025 6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.496 -1.115 5.619 1.00 0.00 H new ATOM 275 N GLU A 21 -16.318 2.896 9.120 1.00 0.00 N ATOM 276 CA GLU A 21 -15.858 3.685 10.257 1.00 0.00 C ATOM 277 C GLU A 21 -15.803 2.835 11.523 1.00 0.00 C ATOM 278 O GLU A 21 -15.749 3.360 12.635 1.00 0.00 O ATOM 279 CB GLU A 21 -16.779 4.887 10.477 1.00 0.00 C ATOM 280 CG GLU A 21 -18.220 4.504 10.771 1.00 0.00 C ATOM 281 CD GLU A 21 -19.076 5.698 11.148 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.652 6.326 10.235 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.168 6.005 12.355 1.00 0.00 O ATOM 0 H GLU A 21 -17.332 2.809 9.049 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.852 4.042 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.394 5.482 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.754 5.520 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.648 4.017 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.240 3.776 11.582 1.00 0.00 H new ATOM 290 N ASP A 22 -15.816 1.518 11.345 1.00 0.00 N ATOM 291 CA ASP A 22 -15.767 0.594 12.472 1.00 0.00 C ATOM 292 C ASP A 22 -14.383 -0.036 12.598 1.00 0.00 C ATOM 293 O ASP A 22 -14.081 -0.700 13.590 1.00 0.00 O ATOM 294 CB ASP A 22 -16.826 -0.498 12.310 1.00 0.00 C ATOM 295 CG ASP A 22 -17.070 -1.262 13.597 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.246 -0.613 14.649 1.00 0.00 O ATOM 297 OD2 ASP A 22 -17.086 -2.510 13.551 1.00 0.00 O ATOM 0 H ASP A 22 -15.860 1.067 10.431 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.974 1.157 13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.760 -0.047 11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.511 -1.193 11.532 1.00 0.00 H new ATOM 302 N ILE A 23 -13.548 0.175 11.586 1.00 0.00 N ATOM 303 CA ILE A 23 -12.197 -0.372 11.584 1.00 0.00 C ATOM 304 C ILE A 23 -11.186 0.657 12.076 1.00 0.00 C ATOM 305 O ILE A 23 -11.351 1.857 11.858 1.00 0.00 O ATOM 306 CB ILE A 23 -11.785 -0.848 10.178 1.00 0.00 C ATOM 307 CG1 ILE A 23 -13.015 -1.300 9.388 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.769 -1.977 10.278 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.947 -2.192 10.178 1.00 0.00 C ATOM 0 H ILE A 23 -13.783 0.721 10.757 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.201 -1.226 12.262 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.323 -0.015 9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.565 -0.420 9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.688 -1.831 8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.487 -2.303 9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.884 -1.624 10.807 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.207 -2.814 10.822 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.796 -2.473 9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.413 -3.089 10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.304 -1.657 11.058 1.00 0.00 H new ATOM 321 N GLU A 24 -10.139 0.179 12.740 1.00 0.00 N ATOM 322 CA GLU A 24 -9.100 1.059 13.263 1.00 0.00 C ATOM 323 C GLU A 24 -7.890 1.085 12.333 1.00 0.00 C ATOM 324 O GLU A 24 -7.197 0.081 12.169 1.00 0.00 O ATOM 325 CB GLU A 24 -8.672 0.607 14.661 1.00 0.00 C ATOM 326 CG GLU A 24 -7.354 1.207 15.118 1.00 0.00 C ATOM 327 CD GLU A 24 -7.239 1.280 16.628 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.703 2.283 17.210 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.684 0.335 17.228 1.00 0.00 O ATOM 0 H GLU A 24 -9.987 -0.812 12.929 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.511 2.066 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.451 0.876 15.375 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.590 -0.480 14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.531 0.611 14.723 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.251 2.209 14.701 1.00 0.00 H new ATOM 336 N LEU A 25 -7.644 2.241 11.725 1.00 0.00 N ATOM 337 CA LEU A 25 -6.519 2.399 10.810 1.00 0.00 C ATOM 338 C LEU A 25 -5.275 2.877 11.554 1.00 0.00 C ATOM 339 O LEU A 25 -5.289 3.927 12.197 1.00 0.00 O ATOM 340 CB LEU A 25 -6.875 3.389 9.699 1.00 0.00 C ATOM 341 CG LEU A 25 -7.808 2.865 8.608 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.075 3.944 7.570 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.218 1.626 7.951 1.00 0.00 C ATOM 0 H LEU A 25 -8.208 3.082 11.849 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.303 1.427 10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.337 4.265 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.951 3.724 9.229 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.757 2.591 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.741 3.552 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.541 4.804 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.134 4.250 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.896 1.267 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.256 1.875 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.079 0.848 8.701 1.00 0.00 H new ATOM 355 N LYS A 26 -4.201 2.101 11.459 1.00 0.00 N ATOM 356 CA LYS A 26 -2.947 2.446 12.119 1.00 0.00 C ATOM 357 C LYS A 26 -1.936 2.992 11.116 1.00 0.00 C ATOM 358 O LYS A 26 -1.859 2.545 9.971 1.00 0.00 O ATOM 359 CB LYS A 26 -2.367 1.220 12.829 1.00 0.00 C ATOM 360 CG LYS A 26 -3.200 0.750 14.009 1.00 0.00 C ATOM 361 CD LYS A 26 -3.062 -0.748 14.226 1.00 0.00 C ATOM 362 CE LYS A 26 -4.106 -1.524 13.438 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.871 -2.993 13.503 1.00 0.00 N ATOM 0 H LYS A 26 -4.173 1.229 10.931 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.155 3.221 12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.276 0.404 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.360 1.454 13.176 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.889 1.279 14.909 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.247 0.999 13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.065 -1.070 13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.164 -0.974 15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.098 -1.297 13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.091 -1.199 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.603 -3.486 12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.935 -3.213 13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.911 -3.307 14.494 1.00 0.00 H new ATOM 377 N PRO A 27 -1.141 3.979 11.554 1.00 0.00 N ATOM 378 CA PRO A 27 -0.119 4.605 10.710 1.00 0.00 C ATOM 379 C PRO A 27 1.045 3.665 10.416 1.00 0.00 C ATOM 380 O PRO A 27 1.967 3.531 11.222 1.00 0.00 O ATOM 381 CB PRO A 27 0.354 5.795 11.548 1.00 0.00 C ATOM 382 CG PRO A 27 0.066 5.404 12.957 1.00 0.00 C ATOM 383 CD PRO A 27 -1.178 4.560 12.906 1.00 0.00 C ATOM 0 HA PRO A 27 -0.513 4.884 9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.417 5.986 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.176 6.708 11.274 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.899 4.846 13.385 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.084 6.283 13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.172 3.788 13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.076 5.158 13.062 1.00 0.00 H new ATOM 391 N LEU A 28 0.998 3.017 9.257 1.00 0.00 N ATOM 392 CA LEU A 28 2.050 2.089 8.856 1.00 0.00 C ATOM 393 C LEU A 28 3.330 2.838 8.499 1.00 0.00 C ATOM 394 O LEU A 28 4.429 2.417 8.857 1.00 0.00 O ATOM 395 CB LEU A 28 1.589 1.249 7.664 1.00 0.00 C ATOM 396 CG LEU A 28 2.687 0.773 6.713 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.238 -0.468 5.956 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.070 1.881 5.743 1.00 0.00 C ATOM 0 H LEU A 28 0.243 3.117 8.579 1.00 0.00 H new ATOM 0 HA LEU A 28 2.259 1.430 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.061 0.374 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.868 1.832 7.091 1.00 0.00 H new ATOM 0 HG LEU A 28 3.565 0.515 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.033 -0.792 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.015 -1.265 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.344 -0.237 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.853 1.524 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.197 2.171 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.435 2.743 6.301 1.00 0.00 H new ATOM 410 N GLY A 29 3.179 3.954 7.792 1.00 0.00 N ATOM 411 CA GLY A 29 4.331 4.746 7.400 1.00 0.00 C ATOM 412 C GLY A 29 3.959 5.900 6.491 1.00 0.00 C ATOM 413 O GLY A 29 2.852 6.431 6.572 1.00 0.00 O ATOM 0 H GLY A 29 2.280 4.324 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.822 5.134 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.052 4.106 6.892 1.00 0.00 H new ATOM 417 N MET A 30 4.886 6.290 5.623 1.00 0.00 N ATOM 418 CA MET A 30 4.650 7.389 4.694 1.00 0.00 C ATOM 419 C MET A 30 5.491 7.226 3.432 1.00 0.00 C ATOM 420 O MET A 30 6.613 6.722 3.483 1.00 0.00 O ATOM 421 CB MET A 30 4.968 8.728 5.364 1.00 0.00 C ATOM 422 CG MET A 30 5.399 9.809 4.386 1.00 0.00 C ATOM 423 SD MET A 30 7.183 9.838 4.127 1.00 0.00 S ATOM 424 CE MET A 30 7.684 11.046 5.351 1.00 0.00 C ATOM 0 H MET A 30 5.808 5.861 5.543 1.00 0.00 H new ATOM 0 HA MET A 30 3.597 7.373 4.411 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.088 9.071 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.759 8.578 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.899 9.649 3.430 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.074 10.781 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.766 11.175 5.314 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.198 11.999 5.142 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.394 10.701 6.343 1.00 0.00 H new ATOM 434 N VAL A 31 4.942 7.656 2.301 1.00 0.00 N ATOM 435 CA VAL A 31 5.643 7.558 1.026 1.00 0.00 C ATOM 436 C VAL A 31 7.032 8.181 1.113 1.00 0.00 C ATOM 437 O VAL A 31 7.172 9.377 1.368 1.00 0.00 O ATOM 438 CB VAL A 31 4.853 8.246 -0.103 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.561 8.066 -1.437 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.433 7.704 -0.167 1.00 0.00 C ATOM 0 H VAL A 31 4.014 8.076 2.241 1.00 0.00 H new ATOM 0 HA VAL A 31 5.738 6.496 0.798 1.00 0.00 H new ATOM 0 HB VAL A 31 4.801 9.313 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.988 8.559 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.556 8.507 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.647 7.003 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.890 8.201 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.461 6.631 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.929 7.890 0.781 1.00 0.00 H new ATOM 450 N SER A 32 8.056 7.362 0.898 1.00 0.00 N ATOM 451 CA SER A 32 9.436 7.832 0.955 1.00 0.00 C ATOM 452 C SER A 32 10.003 8.022 -0.448 1.00 0.00 C ATOM 453 O SER A 32 10.788 8.939 -0.694 1.00 0.00 O ATOM 454 CB SER A 32 10.302 6.843 1.738 1.00 0.00 C ATOM 455 OG SER A 32 11.371 7.506 2.389 1.00 0.00 O ATOM 0 H SER A 32 7.957 6.370 0.683 1.00 0.00 H new ATOM 0 HA SER A 32 9.445 8.795 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.690 6.323 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.698 6.086 1.061 1.00 0.00 H new ATOM 0 HG SER A 32 11.996 6.843 2.749 1.00 0.00 H new ATOM 461 N SER A 33 9.601 7.149 -1.366 1.00 0.00 N ATOM 462 CA SER A 33 10.072 7.218 -2.745 1.00 0.00 C ATOM 463 C SER A 33 9.044 6.619 -3.700 1.00 0.00 C ATOM 464 O SER A 33 8.048 6.034 -3.271 1.00 0.00 O ATOM 465 CB SER A 33 11.406 6.483 -2.887 1.00 0.00 C ATOM 466 OG SER A 33 12.489 7.315 -2.509 1.00 0.00 O ATOM 0 H SER A 33 8.950 6.386 -1.180 1.00 0.00 H new ATOM 0 HA SER A 33 10.214 8.267 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.399 5.586 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.537 6.156 -3.919 1.00 0.00 H new ATOM 0 HG SER A 33 12.159 8.046 -1.945 1.00 0.00 H new ATOM 472 N ILE A 34 9.293 6.769 -4.996 1.00 0.00 N ATOM 473 CA ILE A 34 8.390 6.242 -6.013 1.00 0.00 C ATOM 474 C ILE A 34 9.159 5.488 -7.093 1.00 0.00 C ATOM 475 O ILE A 34 10.094 6.022 -7.691 1.00 0.00 O ATOM 476 CB ILE A 34 7.569 7.366 -6.673 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.647 8.025 -5.645 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.762 6.816 -7.840 1.00 0.00 C ATOM 479 CD1 ILE A 34 7.304 9.151 -4.878 1.00 0.00 C ATOM 0 H ILE A 34 10.112 7.251 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 34 7.711 5.556 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 34 8.256 8.122 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.764 8.410 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.303 7.268 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.187 7.622 -8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.438 6.388 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.082 6.044 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.592 9.571 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.171 8.767 -4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.624 9.927 -5.573 1.00 0.00 H new ATOM 491 N ILE A 35 8.758 4.246 -7.339 1.00 0.00 N ATOM 492 CA ILE A 35 9.407 3.420 -8.349 1.00 0.00 C ATOM 493 C ILE A 35 8.767 3.622 -9.718 1.00 0.00 C ATOM 494 O ILE A 35 7.618 4.050 -9.820 1.00 0.00 O ATOM 495 CB ILE A 35 9.342 1.926 -7.980 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.316 1.617 -6.841 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.652 1.066 -9.197 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.245 0.185 -6.357 1.00 0.00 C ATOM 0 H ILE A 35 7.986 3.789 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 35 10.451 3.731 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 35 8.332 1.694 -7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.332 1.829 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.109 2.285 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.602 0.013 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.924 1.270 -9.982 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.653 1.299 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.962 0.038 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.240 -0.026 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.482 -0.489 -7.180 1.00 0.00 H new ATOM 510 N GLU A 36 9.519 3.309 -10.769 1.00 0.00 N ATOM 511 CA GLU A 36 9.025 3.456 -12.133 1.00 0.00 C ATOM 512 C GLU A 36 7.517 3.224 -12.193 1.00 0.00 C ATOM 513 O GLU A 36 6.762 4.098 -12.617 1.00 0.00 O ATOM 514 CB GLU A 36 9.740 2.477 -13.066 1.00 0.00 C ATOM 515 CG GLU A 36 11.247 2.666 -13.108 1.00 0.00 C ATOM 516 CD GLU A 36 11.678 3.686 -14.144 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.857 4.560 -14.493 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.835 3.609 -14.607 1.00 0.00 O ATOM 0 H GLU A 36 10.472 2.952 -10.702 1.00 0.00 H new ATOM 0 HA GLU A 36 9.232 4.475 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.519 1.458 -12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.340 2.590 -14.074 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.597 2.981 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.724 1.710 -13.325 1.00 0.00 H new ATOM 525 N GLN A 37 7.089 2.041 -11.765 1.00 0.00 N ATOM 526 CA GLN A 37 5.673 1.694 -11.771 1.00 0.00 C ATOM 527 C GLN A 37 5.161 1.471 -10.352 1.00 0.00 C ATOM 528 O GLN A 37 3.976 1.659 -10.072 1.00 0.00 O ATOM 529 CB GLN A 37 5.437 0.439 -12.614 1.00 0.00 C ATOM 530 CG GLN A 37 6.644 -0.483 -12.682 1.00 0.00 C ATOM 531 CD GLN A 37 7.571 -0.146 -13.833 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.321 0.788 -14.595 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.650 -0.909 -13.967 1.00 0.00 N ATOM 0 H GLN A 37 7.702 1.307 -11.410 1.00 0.00 H new ATOM 0 HA GLN A 37 5.123 2.527 -12.210 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.592 -0.112 -12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.160 0.737 -13.625 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.197 -0.421 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.304 -1.514 -12.784 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.819 -1.673 -13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.310 -0.731 -14.724 1.00 0.00 H new ATOM 542 N LEU A 38 6.060 1.069 -9.460 1.00 0.00 N ATOM 543 CA LEU A 38 5.699 0.820 -8.069 1.00 0.00 C ATOM 544 C LEU A 38 5.975 2.048 -7.207 1.00 0.00 C ATOM 545 O LEU A 38 6.580 3.018 -7.664 1.00 0.00 O ATOM 546 CB LEU A 38 6.474 -0.382 -7.528 1.00 0.00 C ATOM 547 CG LEU A 38 6.422 -1.652 -8.378 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.152 -1.683 -9.214 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.652 -1.748 -9.270 1.00 0.00 C ATOM 0 H LEU A 38 7.044 0.909 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 38 4.631 0.604 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.518 -0.092 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.092 -0.618 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 38 6.414 -2.513 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.132 -2.594 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.283 -1.662 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.129 -0.815 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.598 -2.658 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.691 -0.882 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.549 -1.773 -8.651 1.00 0.00 H new ATOM 561 N VAL A 39 5.530 1.998 -5.955 1.00 0.00 N ATOM 562 CA VAL A 39 5.732 3.104 -5.027 1.00 0.00 C ATOM 563 C VAL A 39 6.423 2.633 -3.753 1.00 0.00 C ATOM 564 O VAL A 39 6.156 1.537 -3.258 1.00 0.00 O ATOM 565 CB VAL A 39 4.397 3.776 -4.656 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.602 4.791 -3.541 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.773 4.433 -5.878 1.00 0.00 C ATOM 0 H VAL A 39 5.027 1.203 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 39 6.367 3.831 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 39 3.712 3.009 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.648 5.256 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.001 4.288 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.304 5.557 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.830 4.903 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.452 5.189 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.589 3.678 -6.643 1.00 0.00 H new ATOM 577 N ILE A 40 7.312 3.467 -3.225 1.00 0.00 N ATOM 578 CA ILE A 40 8.040 3.137 -2.006 1.00 0.00 C ATOM 579 C ILE A 40 7.482 3.898 -0.809 1.00 0.00 C ATOM 580 O ILE A 40 7.238 5.102 -0.885 1.00 0.00 O ATOM 581 CB ILE A 40 9.542 3.450 -2.145 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.120 2.748 -3.376 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.289 3.029 -0.889 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.102 1.239 -3.274 1.00 0.00 C ATOM 0 H ILE A 40 7.546 4.377 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 40 7.914 2.067 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 40 9.664 4.526 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.554 3.051 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.147 3.082 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.349 3.257 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.892 3.570 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.163 1.958 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.526 0.808 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.692 0.925 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.075 0.895 -3.155 1.00 0.00 H new ATOM 596 N ILE A 41 7.284 3.187 0.297 1.00 0.00 N ATOM 597 CA ILE A 41 6.757 3.797 1.512 1.00 0.00 C ATOM 598 C ILE A 41 7.651 3.495 2.710 1.00 0.00 C ATOM 599 O ILE A 41 7.914 2.335 3.023 1.00 0.00 O ATOM 600 CB ILE A 41 5.329 3.306 1.814 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.403 3.604 0.634 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.804 3.957 3.085 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.274 2.609 0.485 1.00 0.00 C ATOM 0 H ILE A 41 7.480 2.189 0.376 1.00 0.00 H new ATOM 0 HA ILE A 41 6.734 4.873 1.341 1.00 0.00 H new ATOM 0 HB ILE A 41 5.356 2.227 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.983 4.602 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.990 3.615 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.794 3.600 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.453 3.698 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.788 5.040 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.658 2.883 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.686 1.612 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.663 2.614 1.388 1.00 0.00 H new ATOM 615 N GLU A 42 8.114 4.548 3.376 1.00 0.00 N ATOM 616 CA GLU A 42 8.977 4.395 4.541 1.00 0.00 C ATOM 617 C GLU A 42 8.160 4.051 5.783 1.00 0.00 C ATOM 618 O GLU A 42 6.953 4.289 5.831 1.00 0.00 O ATOM 619 CB GLU A 42 9.777 5.677 4.782 1.00 0.00 C ATOM 620 CG GLU A 42 10.217 5.858 6.226 1.00 0.00 C ATOM 621 CD GLU A 42 10.978 7.150 6.446 1.00 0.00 C ATOM 622 OE1 GLU A 42 12.196 7.177 6.170 1.00 0.00 O ATOM 623 OE2 GLU A 42 10.356 8.135 6.896 1.00 0.00 O ATOM 0 H GLU A 42 7.906 5.516 3.129 1.00 0.00 H new ATOM 0 HA GLU A 42 9.668 3.575 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.658 5.671 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.172 6.534 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.340 5.842 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.845 5.016 6.519 1.00 0.00 H new ATOM 630 N SER A 43 8.827 3.488 6.786 1.00 0.00 N ATOM 631 CA SER A 43 8.163 3.107 8.026 1.00 0.00 C ATOM 632 C SER A 43 8.623 3.989 9.183 1.00 0.00 C ATOM 633 O SER A 43 9.649 4.663 9.093 1.00 0.00 O ATOM 634 CB SER A 43 8.443 1.637 8.349 1.00 0.00 C ATOM 635 OG SER A 43 7.935 0.787 7.335 1.00 0.00 O ATOM 0 H SER A 43 9.827 3.286 6.763 1.00 0.00 H new ATOM 0 HA SER A 43 7.090 3.245 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.517 1.482 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.989 1.379 9.306 1.00 0.00 H new ATOM 0 HG SER A 43 8.645 0.588 6.689 1.00 0.00 H new ATOM 641 N MET A 44 7.856 3.980 10.268 1.00 0.00 N ATOM 642 CA MET A 44 8.185 4.778 11.443 1.00 0.00 C ATOM 643 C MET A 44 8.507 3.883 12.635 1.00 0.00 C ATOM 644 O MET A 44 9.661 3.780 13.054 1.00 0.00 O ATOM 645 CB MET A 44 7.026 5.714 11.791 1.00 0.00 C ATOM 646 CG MET A 44 6.323 6.290 10.573 1.00 0.00 C ATOM 647 SD MET A 44 7.135 7.769 9.937 1.00 0.00 S ATOM 648 CE MET A 44 6.377 7.903 8.320 1.00 0.00 C ATOM 0 H MET A 44 7.002 3.429 10.358 1.00 0.00 H new ATOM 0 HA MET A 44 9.067 5.375 11.211 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.300 5.171 12.396 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.403 6.533 12.404 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.287 5.534 9.788 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.292 6.530 10.833 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.314 8.953 8.034 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.980 7.363 7.590 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.375 7.475 8.351 1.00 0.00 H new ATOM 658 N THR A 45 7.481 3.238 13.180 1.00 0.00 N ATOM 659 CA THR A 45 7.655 2.353 14.325 1.00 0.00 C ATOM 660 C THR A 45 6.343 1.671 14.698 1.00 0.00 C ATOM 661 O THR A 45 5.287 1.999 14.158 1.00 0.00 O ATOM 662 CB THR A 45 8.189 3.118 15.551 1.00 0.00 C ATOM 663 OG1 THR A 45 8.387 2.215 16.644 1.00 0.00 O ATOM 664 CG2 THR A 45 7.223 4.219 15.964 1.00 0.00 C ATOM 0 H THR A 45 6.520 3.312 12.847 1.00 0.00 H new ATOM 0 HA THR A 45 8.384 1.597 14.032 1.00 0.00 H new ATOM 0 HB THR A 45 9.141 3.574 15.281 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.728 2.709 17.419 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.621 4.746 16.832 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.097 4.921 15.140 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.258 3.780 16.217 1.00 0.00 H new ATOM 672 N ASN A 46 6.417 0.721 15.624 1.00 0.00 N ATOM 673 CA ASN A 46 5.235 -0.006 16.069 1.00 0.00 C ATOM 674 C ASN A 46 4.533 -0.676 14.892 1.00 0.00 C ATOM 675 O ASN A 46 3.309 -0.818 14.883 1.00 0.00 O ATOM 676 CB ASN A 46 4.267 0.939 16.783 1.00 0.00 C ATOM 677 CG ASN A 46 3.017 0.230 17.267 1.00 0.00 C ATOM 678 OD1 ASN A 46 1.901 0.588 16.891 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.199 -0.782 18.107 1.00 0.00 N ATOM 0 H ASN A 46 7.284 0.437 16.081 1.00 0.00 H new ATOM 0 HA ASN A 46 5.557 -0.780 16.766 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.773 1.398 17.632 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.985 1.745 16.106 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.395 -1.297 18.467 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.142 -1.045 18.392 1.00 0.00 H new ATOM 686 N LEU A 47 5.316 -1.087 13.900 1.00 0.00 N ATOM 687 CA LEU A 47 4.770 -1.743 12.716 1.00 0.00 C ATOM 688 C LEU A 47 4.573 -3.235 12.963 1.00 0.00 C ATOM 689 O LEU A 47 5.507 -3.963 13.299 1.00 0.00 O ATOM 690 CB LEU A 47 5.698 -1.531 11.519 1.00 0.00 C ATOM 691 CG LEU A 47 5.430 -0.284 10.674 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.229 0.898 11.200 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.762 -0.548 9.213 1.00 0.00 C ATOM 0 H LEU A 47 6.330 -0.978 13.892 1.00 0.00 H new ATOM 0 HA LEU A 47 3.799 -1.298 12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.724 -1.484 11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.629 -2.406 10.872 1.00 0.00 H new ATOM 0 HG LEU A 47 4.370 -0.040 10.746 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.026 1.776 10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.942 1.101 12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.293 0.665 11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.565 0.350 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.814 -0.817 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.145 -1.366 8.842 1.00 0.00 H new ATOM 705 N PRO A 48 3.328 -3.704 12.792 1.00 0.00 N ATOM 706 CA PRO A 48 2.979 -5.114 12.988 1.00 0.00 C ATOM 707 C PRO A 48 3.572 -6.014 11.909 1.00 0.00 C ATOM 708 O PRO A 48 3.902 -5.570 10.809 1.00 0.00 O ATOM 709 CB PRO A 48 1.451 -5.116 12.905 1.00 0.00 C ATOM 710 CG PRO A 48 1.114 -3.922 12.080 1.00 0.00 C ATOM 711 CD PRO A 48 2.165 -2.894 12.392 1.00 0.00 C ATOM 0 HA PRO A 48 3.369 -5.503 13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.081 -6.032 12.445 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.001 -5.052 13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.113 -4.169 11.018 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.119 -3.549 12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.388 -2.272 11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.847 -2.225 13.192 1.00 0.00 H new ATOM 719 N PRO A 49 3.711 -7.309 12.227 1.00 0.00 N ATOM 720 CA PRO A 49 4.264 -8.298 11.298 1.00 0.00 C ATOM 721 C PRO A 49 3.325 -8.585 10.131 1.00 0.00 C ATOM 722 O PRO A 49 2.612 -9.589 10.127 1.00 0.00 O ATOM 723 CB PRO A 49 4.433 -9.546 12.167 1.00 0.00 C ATOM 724 CG PRO A 49 3.433 -9.386 13.260 1.00 0.00 C ATOM 725 CD PRO A 49 3.339 -7.908 13.520 1.00 0.00 C ATOM 0 HA PRO A 49 5.191 -7.953 10.839 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.251 -10.455 11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.445 -9.617 12.564 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.465 -9.793 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.746 -9.921 14.157 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.333 -7.617 13.823 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.015 -7.596 14.316 1.00 0.00 H new ATOM 733 N VAL A 50 3.330 -7.697 9.141 1.00 0.00 N ATOM 734 CA VAL A 50 2.479 -7.856 7.968 1.00 0.00 C ATOM 735 C VAL A 50 3.287 -8.326 6.763 1.00 0.00 C ATOM 736 O VAL A 50 4.315 -7.741 6.426 1.00 0.00 O ATOM 737 CB VAL A 50 1.764 -6.540 7.610 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.486 -6.389 8.420 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.690 -5.354 7.834 1.00 0.00 C ATOM 0 H VAL A 50 3.914 -6.861 9.128 1.00 0.00 H new ATOM 0 HA VAL A 50 1.733 -8.610 8.219 1.00 0.00 H new ATOM 0 HB VAL A 50 1.495 -6.568 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.005 -5.453 8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.182 -7.223 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.728 -6.382 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.169 -4.432 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.991 -5.320 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.574 -5.459 7.205 1.00 0.00 H new ATOM 749 N ASN A 51 2.814 -9.388 6.118 1.00 0.00 N ATOM 750 CA ASN A 51 3.493 -9.938 4.950 1.00 0.00 C ATOM 751 C ASN A 51 3.048 -9.225 3.677 1.00 0.00 C ATOM 752 O ASN A 51 2.179 -8.354 3.713 1.00 0.00 O ATOM 753 CB ASN A 51 3.215 -11.438 4.832 1.00 0.00 C ATOM 754 CG ASN A 51 3.302 -12.149 6.169 1.00 0.00 C ATOM 755 OD1 ASN A 51 3.700 -11.559 7.174 1.00 0.00 O ATOM 756 ND2 ASN A 51 2.929 -13.423 6.186 1.00 0.00 N ATOM 0 H ASN A 51 1.964 -9.885 6.384 1.00 0.00 H new ATOM 0 HA ASN A 51 4.564 -9.783 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.222 -11.589 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.929 -11.884 4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.966 -13.954 7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.606 -13.871 5.329 1.00 0.00 H new ATOM 763 N GLU A 52 3.649 -9.602 2.553 1.00 0.00 N ATOM 764 CA GLU A 52 3.314 -8.999 1.268 1.00 0.00 C ATOM 765 C GLU A 52 1.807 -9.029 1.030 1.00 0.00 C ATOM 766 O GLU A 52 1.195 -8.002 0.737 1.00 0.00 O ATOM 767 CB GLU A 52 4.036 -9.728 0.133 1.00 0.00 C ATOM 768 CG GLU A 52 5.546 -9.566 0.169 1.00 0.00 C ATOM 769 CD GLU A 52 6.242 -10.336 -0.936 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.912 -10.106 -2.118 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.117 -11.168 -0.619 1.00 0.00 O ATOM 0 H GLU A 52 4.370 -10.322 2.506 1.00 0.00 H new ATOM 0 HA GLU A 52 3.641 -7.959 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.792 -10.789 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.662 -9.357 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.796 -8.509 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.921 -9.905 1.135 1.00 0.00 H new ATOM 778 N GLU A 53 1.217 -10.213 1.157 1.00 0.00 N ATOM 779 CA GLU A 53 -0.218 -10.377 0.953 1.00 0.00 C ATOM 780 C GLU A 53 -0.997 -9.273 1.663 1.00 0.00 C ATOM 781 O GLU A 53 -2.139 -8.976 1.308 1.00 0.00 O ATOM 782 CB GLU A 53 -0.674 -11.746 1.461 1.00 0.00 C ATOM 783 CG GLU A 53 -2.122 -12.066 1.130 1.00 0.00 C ATOM 784 CD GLU A 53 -3.083 -11.598 2.205 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.696 -10.724 3.009 1.00 0.00 O ATOM 786 OE2 GLU A 53 -4.224 -12.107 2.243 1.00 0.00 O ATOM 0 H GLU A 53 1.710 -11.072 1.400 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.418 -10.309 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.033 -12.516 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.540 -11.786 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.386 -11.597 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.231 -13.142 0.994 1.00 0.00 H new ATOM 793 N THR A 54 -0.373 -8.669 2.669 1.00 0.00 N ATOM 794 CA THR A 54 -1.007 -7.600 3.430 1.00 0.00 C ATOM 795 C THR A 54 -1.358 -6.419 2.532 1.00 0.00 C ATOM 796 O THR A 54 -0.526 -5.948 1.756 1.00 0.00 O ATOM 797 CB THR A 54 -0.099 -7.109 4.573 1.00 0.00 C ATOM 798 OG1 THR A 54 0.250 -8.205 5.427 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.790 -6.025 5.387 1.00 0.00 C ATOM 0 H THR A 54 0.571 -8.902 2.976 1.00 0.00 H new ATOM 0 HA THR A 54 -1.921 -8.014 3.855 1.00 0.00 H new ATOM 0 HB THR A 54 0.806 -6.689 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.809 -8.840 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.129 -5.694 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.027 -5.180 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.710 -6.423 5.816 1.00 0.00 H new ATOM 807 N VAL A 55 -2.594 -5.943 2.644 1.00 0.00 N ATOM 808 CA VAL A 55 -3.054 -4.815 1.843 1.00 0.00 C ATOM 809 C VAL A 55 -2.779 -3.492 2.548 1.00 0.00 C ATOM 810 O VAL A 55 -2.850 -3.404 3.774 1.00 0.00 O ATOM 811 CB VAL A 55 -4.561 -4.920 1.540 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.982 -3.846 0.549 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.904 -6.306 1.015 1.00 0.00 C ATOM 0 H VAL A 55 -3.295 -6.321 3.282 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.499 -4.845 0.905 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.112 -4.762 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.049 -3.936 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.774 -2.862 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.425 -3.970 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.972 -6.362 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.345 -6.497 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.641 -7.054 1.763 1.00 0.00 H new ATOM 823 N ILE A 56 -2.466 -2.465 1.766 1.00 0.00 N ATOM 824 CA ILE A 56 -2.182 -1.145 2.316 1.00 0.00 C ATOM 825 C ILE A 56 -3.329 -0.178 2.044 1.00 0.00 C ATOM 826 O ILE A 56 -3.643 0.122 0.892 1.00 0.00 O ATOM 827 CB ILE A 56 -0.882 -0.560 1.732 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.285 -1.522 1.961 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.587 0.797 2.353 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.521 -1.849 3.419 1.00 0.00 C ATOM 0 H ILE A 56 -2.403 -2.521 0.750 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.063 -1.270 3.392 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.012 -0.426 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.096 -2.447 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.192 -1.086 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.334 1.198 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.410 1.480 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.474 0.687 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.363 -2.536 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.742 -0.933 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.372 -2.315 3.837 1.00 0.00 H new ATOM 842 N PHE A 57 -3.951 0.309 3.113 1.00 0.00 N ATOM 843 CA PHE A 57 -5.063 1.243 2.991 1.00 0.00 C ATOM 844 C PHE A 57 -4.569 2.686 3.040 1.00 0.00 C ATOM 845 O PHE A 57 -3.585 2.995 3.712 1.00 0.00 O ATOM 846 CB PHE A 57 -6.084 1.004 4.105 1.00 0.00 C ATOM 847 CG PHE A 57 -6.915 -0.230 3.901 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.315 -1.473 3.773 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.297 -0.148 3.837 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.079 -2.610 3.585 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.065 -1.282 3.649 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.455 -2.514 3.524 1.00 0.00 C ATOM 0 H PHE A 57 -3.703 0.072 4.074 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.542 1.073 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.559 0.926 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.743 1.869 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.239 -1.554 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.780 0.813 3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.600 -3.573 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.141 -1.204 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.053 -3.401 3.379 1.00 0.00 H new ATOM 862 N LYS A 58 -5.260 3.567 2.323 1.00 0.00 N ATOM 863 CA LYS A 58 -4.894 4.977 2.284 1.00 0.00 C ATOM 864 C LYS A 58 -5.553 5.742 3.427 1.00 0.00 C ATOM 865 O LYS A 58 -6.369 5.192 4.166 1.00 0.00 O ATOM 866 CB LYS A 58 -5.300 5.594 0.943 1.00 0.00 C ATOM 867 CG LYS A 58 -4.272 5.389 -0.156 1.00 0.00 C ATOM 868 CD LYS A 58 -4.927 5.315 -1.525 1.00 0.00 C ATOM 869 CE LYS A 58 -5.924 6.446 -1.729 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.680 6.296 -3.003 1.00 0.00 N ATOM 0 H LYS A 58 -6.077 3.328 1.761 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.812 5.049 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.249 5.162 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.466 6.663 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.552 6.208 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.715 4.471 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.161 5.360 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.435 4.357 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.623 6.469 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.396 7.400 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.508 7.124 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.364 5.436 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.697 6.223 -2.797 1.00 0.00 H new ATOM 884 N SER A 59 -5.193 7.014 3.567 1.00 0.00 N ATOM 885 CA SER A 59 -5.748 7.854 4.622 1.00 0.00 C ATOM 886 C SER A 59 -7.242 8.077 4.410 1.00 0.00 C ATOM 887 O SER A 59 -7.956 8.489 5.325 1.00 0.00 O ATOM 888 CB SER A 59 -5.022 9.200 4.667 1.00 0.00 C ATOM 889 OG SER A 59 -5.548 10.095 3.703 1.00 0.00 O ATOM 0 H SER A 59 -4.520 7.485 2.963 1.00 0.00 H new ATOM 0 HA SER A 59 -5.606 7.340 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.117 9.635 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.958 9.049 4.485 1.00 0.00 H new ATOM 0 HG SER A 59 -5.069 10.948 3.753 1.00 0.00 H new ATOM 895 N ASP A 60 -7.709 7.800 3.197 1.00 0.00 N ATOM 896 CA ASP A 60 -9.118 7.968 2.863 1.00 0.00 C ATOM 897 C ASP A 60 -9.878 6.657 3.035 1.00 0.00 C ATOM 898 O ASP A 60 -11.040 6.545 2.645 1.00 0.00 O ATOM 899 CB ASP A 60 -9.268 8.474 1.428 1.00 0.00 C ATOM 900 CG ASP A 60 -8.939 9.948 1.296 1.00 0.00 C ATOM 901 OD1 ASP A 60 -7.742 10.280 1.171 1.00 0.00 O ATOM 902 OD2 ASP A 60 -9.879 10.770 1.319 1.00 0.00 O ATOM 0 H ASP A 60 -7.132 7.458 2.429 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.541 8.705 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.614 7.899 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.290 8.301 1.090 1.00 0.00 H new ATOM 907 N ARG A 61 -9.213 5.666 3.621 1.00 0.00 N ATOM 908 CA ARG A 61 -9.825 4.361 3.842 1.00 0.00 C ATOM 909 C ARG A 61 -10.009 3.617 2.523 1.00 0.00 C ATOM 910 O ARG A 61 -10.957 2.848 2.361 1.00 0.00 O ATOM 911 CB ARG A 61 -11.175 4.520 4.544 1.00 0.00 C ATOM 912 CG ARG A 61 -11.135 5.462 5.736 1.00 0.00 C ATOM 913 CD ARG A 61 -12.304 5.220 6.677 1.00 0.00 C ATOM 914 NE ARG A 61 -13.466 6.033 6.326 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.558 7.333 6.584 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.563 7.964 7.190 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.648 8.004 6.233 1.00 0.00 N ATOM 0 H ARG A 61 -8.251 5.742 3.951 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.159 3.778 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.907 4.888 3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.519 3.541 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.198 5.327 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.156 6.494 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.578 4.165 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.999 5.445 7.699 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.249 5.578 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.723 7.452 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.637 8.962 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.415 7.522 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.718 9.002 6.431 1.00 0.00 H new ATOM 931 N GLN A 62 -9.098 3.851 1.585 1.00 0.00 N ATOM 932 CA GLN A 62 -9.161 3.203 0.280 1.00 0.00 C ATOM 933 C GLN A 62 -7.936 2.326 0.047 1.00 0.00 C ATOM 934 O GLN A 62 -6.804 2.808 0.059 1.00 0.00 O ATOM 935 CB GLN A 62 -9.271 4.251 -0.828 1.00 0.00 C ATOM 936 CG GLN A 62 -10.702 4.651 -1.148 1.00 0.00 C ATOM 937 CD GLN A 62 -10.801 6.047 -1.733 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.465 6.921 -1.174 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.141 6.263 -2.864 1.00 0.00 N ATOM 0 H GLN A 62 -8.307 4.484 1.704 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.047 2.569 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.712 5.139 -0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.800 3.863 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.127 3.935 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.302 4.599 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.603 5.510 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.171 7.182 -3.305 1.00 0.00 H new ATOM 948 N ALA A 63 -8.170 1.035 -0.164 1.00 0.00 N ATOM 949 CA ALA A 63 -7.085 0.091 -0.401 1.00 0.00 C ATOM 950 C ALA A 63 -6.235 0.519 -1.592 1.00 0.00 C ATOM 951 O ALA A 63 -6.590 0.267 -2.743 1.00 0.00 O ATOM 952 CB ALA A 63 -7.641 -1.308 -0.623 1.00 0.00 C ATOM 0 H ALA A 63 -9.101 0.619 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.447 0.081 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.819 -2.002 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.199 -1.622 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.303 -1.303 -1.489 1.00 0.00 H new ATOM 958 N ALA A 64 -5.111 1.169 -1.308 1.00 0.00 N ATOM 959 CA ALA A 64 -4.210 1.631 -2.356 1.00 0.00 C ATOM 960 C ALA A 64 -3.644 0.459 -3.150 1.00 0.00 C ATOM 961 O ALA A 64 -3.433 0.559 -4.358 1.00 0.00 O ATOM 962 CB ALA A 64 -3.082 2.458 -1.756 1.00 0.00 C ATOM 0 H ALA A 64 -4.803 1.387 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.781 2.258 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.417 2.796 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.499 3.322 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.521 1.848 -1.048 1.00 0.00 H new ATOM 968 N GLY A 65 -3.401 -0.653 -2.463 1.00 0.00 N ATOM 969 CA GLY A 65 -2.861 -1.829 -3.122 1.00 0.00 C ATOM 970 C GLY A 65 -2.134 -2.748 -2.161 1.00 0.00 C ATOM 971 O GLY A 65 -1.878 -2.384 -1.013 1.00 0.00 O ATOM 0 H GLY A 65 -3.568 -0.761 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.672 -2.378 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.176 -1.518 -3.911 1.00 0.00 H new ATOM 975 N LYS A 66 -1.800 -3.946 -2.629 1.00 0.00 N ATOM 976 CA LYS A 66 -1.098 -4.922 -1.805 1.00 0.00 C ATOM 977 C LYS A 66 0.413 -4.751 -1.926 1.00 0.00 C ATOM 978 O LYS A 66 0.920 -4.365 -2.980 1.00 0.00 O ATOM 979 CB LYS A 66 -1.495 -6.343 -2.211 1.00 0.00 C ATOM 980 CG LYS A 66 -2.704 -6.875 -1.461 1.00 0.00 C ATOM 981 CD LYS A 66 -3.052 -8.288 -1.895 1.00 0.00 C ATOM 982 CE LYS A 66 -4.489 -8.642 -1.541 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.878 -9.978 -2.072 1.00 0.00 N ATOM 0 H LYS A 66 -2.005 -4.264 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.383 -4.754 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.705 -6.361 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.650 -7.010 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.504 -6.862 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.558 -6.220 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.907 -8.386 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.374 -8.994 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.609 -8.633 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.160 -7.882 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.863 -10.182 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.788 -9.979 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.255 -10.707 -1.669 1.00 0.00 H new ATOM 997 N ILE A 67 1.126 -5.041 -0.843 1.00 0.00 N ATOM 998 CA ILE A 67 2.578 -4.921 -0.831 1.00 0.00 C ATOM 999 C ILE A 67 3.205 -5.706 -1.978 1.00 0.00 C ATOM 1000 O ILE A 67 3.007 -6.916 -2.098 1.00 0.00 O ATOM 1001 CB ILE A 67 3.173 -5.417 0.501 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.016 -4.348 1.584 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.638 -5.787 0.322 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.879 -4.917 2.979 1.00 0.00 C ATOM 0 H ILE A 67 0.722 -5.361 0.037 1.00 0.00 H new ATOM 0 HA ILE A 67 2.808 -3.862 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 67 2.630 -6.308 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.879 -3.683 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.139 -3.741 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.044 -6.135 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.725 -6.579 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.196 -4.912 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.772 -4.102 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.000 -5.559 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.767 -5.500 3.223 1.00 0.00 H new ATOM 1016 N PHE A 68 3.963 -5.011 -2.819 1.00 0.00 N ATOM 1017 CA PHE A 68 4.620 -5.643 -3.957 1.00 0.00 C ATOM 1018 C PHE A 68 6.004 -6.157 -3.570 1.00 0.00 C ATOM 1019 O PHE A 68 6.498 -7.129 -4.139 1.00 0.00 O ATOM 1020 CB PHE A 68 4.737 -4.655 -5.119 1.00 0.00 C ATOM 1021 CG PHE A 68 5.738 -5.069 -6.160 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.393 -5.975 -7.149 1.00 0.00 C ATOM 1023 CD2 PHE A 68 7.023 -4.551 -6.149 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.313 -6.358 -8.108 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.947 -4.930 -7.105 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.591 -5.834 -8.086 1.00 0.00 C ATOM 0 H PHE A 68 4.138 -4.010 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 68 4.011 -6.491 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.760 -4.543 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.016 -3.677 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.395 -6.387 -7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.306 -3.843 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.032 -7.066 -8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.946 -4.520 -7.084 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.310 -6.131 -8.835 1.00 0.00 H new ATOM 1036 N GLU A 69 6.624 -5.495 -2.598 1.00 0.00 N ATOM 1037 CA GLU A 69 7.951 -5.883 -2.136 1.00 0.00 C ATOM 1038 C GLU A 69 8.362 -5.067 -0.914 1.00 0.00 C ATOM 1039 O GLU A 69 7.961 -3.913 -0.762 1.00 0.00 O ATOM 1040 CB GLU A 69 8.979 -5.700 -3.254 1.00 0.00 C ATOM 1041 CG GLU A 69 10.413 -5.922 -2.805 1.00 0.00 C ATOM 1042 CD GLU A 69 11.309 -6.402 -3.930 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.087 -7.527 -4.426 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.232 -5.654 -4.315 1.00 0.00 O ATOM 0 H GLU A 69 6.229 -4.688 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 69 7.916 -6.935 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.750 -6.393 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.886 -4.693 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.811 -4.992 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.428 -6.653 -1.997 1.00 0.00 H new ATOM 1051 N ILE A 70 9.162 -5.676 -0.045 1.00 0.00 N ATOM 1052 CA ILE A 70 9.628 -5.006 1.163 1.00 0.00 C ATOM 1053 C ILE A 70 11.140 -5.134 1.315 1.00 0.00 C ATOM 1054 O ILE A 70 11.705 -6.212 1.126 1.00 0.00 O ATOM 1055 CB ILE A 70 8.947 -5.577 2.421 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.425 -5.499 2.284 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.412 -4.828 3.661 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.686 -6.426 3.223 1.00 0.00 C ATOM 0 H ILE A 70 9.501 -6.632 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 70 9.364 -3.953 1.062 1.00 0.00 H new ATOM 0 HB ILE A 70 9.230 -6.624 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.104 -4.474 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.148 -5.738 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.922 -5.243 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.492 -4.931 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.155 -3.773 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.612 -6.318 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.979 -7.457 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.934 -6.173 4.254 1.00 0.00 H new ATOM 1070 N PHE A 71 11.790 -4.027 1.658 1.00 0.00 N ATOM 1071 CA PHE A 71 13.238 -4.015 1.837 1.00 0.00 C ATOM 1072 C PHE A 71 13.635 -3.114 3.002 1.00 0.00 C ATOM 1073 O PHE A 71 12.801 -2.406 3.565 1.00 0.00 O ATOM 1074 CB PHE A 71 13.927 -3.544 0.554 1.00 0.00 C ATOM 1075 CG PHE A 71 13.412 -2.227 0.046 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.878 -1.035 0.577 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.462 -2.182 -0.961 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.407 0.178 0.112 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.988 -0.972 -1.431 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.460 0.210 -0.893 1.00 0.00 C ATOM 0 H PHE A 71 11.338 -3.127 1.818 1.00 0.00 H new ATOM 0 HA PHE A 71 13.560 -5.032 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.998 -3.460 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.793 -4.300 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.618 -1.054 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.088 -3.103 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.779 1.100 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.249 -0.950 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.089 1.157 -1.257 1.00 0.00 H new ATOM 1090 N GLY A 72 14.915 -3.146 3.358 1.00 0.00 N ATOM 1091 CA GLY A 72 15.401 -2.328 4.454 1.00 0.00 C ATOM 1092 C GLY A 72 15.618 -3.129 5.723 1.00 0.00 C ATOM 1093 O GLY A 72 15.679 -4.359 5.703 1.00 0.00 O ATOM 0 H GLY A 72 15.624 -3.724 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.338 -1.854 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.687 -1.528 4.651 1.00 0.00 H new ATOM 1097 N PRO A 73 15.740 -2.425 6.858 1.00 0.00 N ATOM 1098 CA PRO A 73 15.955 -3.058 8.163 1.00 0.00 C ATOM 1099 C PRO A 73 14.724 -3.815 8.649 1.00 0.00 C ATOM 1100 O PRO A 73 13.817 -4.112 7.871 1.00 0.00 O ATOM 1101 CB PRO A 73 16.255 -1.875 9.086 1.00 0.00 C ATOM 1102 CG PRO A 73 15.592 -0.710 8.436 1.00 0.00 C ATOM 1103 CD PRO A 73 15.678 -0.957 6.955 1.00 0.00 C ATOM 0 HA PRO A 73 16.751 -3.802 8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.862 -2.045 10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.328 -1.714 9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.554 -0.623 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.089 0.222 8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.811 -0.556 6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.560 -0.488 6.520 1.00 0.00 H new ATOM 1111 N VAL A 74 14.697 -4.123 9.942 1.00 0.00 N ATOM 1112 CA VAL A 74 13.576 -4.844 10.533 1.00 0.00 C ATOM 1113 C VAL A 74 12.752 -3.933 11.437 1.00 0.00 C ATOM 1114 O VAL A 74 11.669 -4.305 11.888 1.00 0.00 O ATOM 1115 CB VAL A 74 14.057 -6.059 11.348 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.870 -5.607 12.551 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.873 -6.910 11.783 1.00 0.00 C ATOM 0 H VAL A 74 15.439 -3.884 10.600 1.00 0.00 H new ATOM 0 HA VAL A 74 12.954 -5.192 9.709 1.00 0.00 H new ATOM 0 HB VAL A 74 14.700 -6.669 10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.201 -6.479 13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.739 -5.043 12.212 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.254 -4.975 13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.231 -7.764 12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.203 -6.312 12.401 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.336 -7.264 10.903 1.00 0.00 H new ATOM 1127 N ALA A 75 13.273 -2.739 11.696 1.00 0.00 N ATOM 1128 CA ALA A 75 12.585 -1.773 12.544 1.00 0.00 C ATOM 1129 C ALA A 75 12.090 -0.582 11.730 1.00 0.00 C ATOM 1130 O ALA A 75 11.058 0.012 12.045 1.00 0.00 O ATOM 1131 CB ALA A 75 13.503 -1.305 13.664 1.00 0.00 C ATOM 0 H ALA A 75 14.169 -2.417 11.331 1.00 0.00 H new ATOM 0 HA ALA A 75 11.717 -2.265 12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.976 -0.584 14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.803 -2.160 14.270 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.389 -0.835 13.236 1.00 0.00 H new ATOM 1137 N HIS A 76 12.832 -0.238 10.683 1.00 0.00 N ATOM 1138 CA HIS A 76 12.468 0.883 9.824 1.00 0.00 C ATOM 1139 C HIS A 76 12.545 0.487 8.352 1.00 0.00 C ATOM 1140 O HIS A 76 13.157 1.171 7.531 1.00 0.00 O ATOM 1141 CB HIS A 76 13.386 2.077 10.091 1.00 0.00 C ATOM 1142 CG HIS A 76 14.807 1.691 10.363 1.00 0.00 C ATOM 1143 ND1 HIS A 76 15.327 0.735 11.168 1.00 0.00 N flip ATOM 1144 CD2 HIS A 76 15.884 2.319 9.773 1.00 0.00 C flip ATOM 1145 CE1 HIS A 76 16.693 0.802 11.050 1.00 0.00 C flip ATOM 1146 NE2 HIS A 76 17.003 1.766 10.202 1.00 0.00 N flip ATOM 0 H HIS A 76 13.689 -0.719 10.409 1.00 0.00 H new ATOM 0 HA HIS A 76 11.441 1.165 10.053 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.358 2.746 9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.001 2.637 10.943 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.821 3.136 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.399 0.169 11.567 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.947 2.037 9.926 1.00 0.00 H new ATOM 1154 N PRO A 77 11.910 -0.644 8.009 1.00 0.00 N ATOM 1155 CA PRO A 77 11.893 -1.156 6.636 1.00 0.00 C ATOM 1156 C PRO A 77 11.055 -0.287 5.704 1.00 0.00 C ATOM 1157 O PRO A 77 10.540 0.756 6.107 1.00 0.00 O ATOM 1158 CB PRO A 77 11.263 -2.544 6.784 1.00 0.00 C ATOM 1159 CG PRO A 77 10.436 -2.455 8.019 1.00 0.00 C ATOM 1160 CD PRO A 77 11.161 -1.509 8.936 1.00 0.00 C ATOM 0 HA PRO A 77 12.889 -1.169 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.653 -2.796 5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.026 -3.317 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.435 -2.088 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.320 -3.435 8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.468 -0.935 9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.826 -2.040 9.617 1.00 0.00 H new ATOM 1168 N PHE A 78 10.922 -0.724 4.456 1.00 0.00 N ATOM 1169 CA PHE A 78 10.146 0.014 3.466 1.00 0.00 C ATOM 1170 C PHE A 78 9.265 -0.928 2.652 1.00 0.00 C ATOM 1171 O PHE A 78 9.731 -1.948 2.143 1.00 0.00 O ATOM 1172 CB PHE A 78 11.078 0.792 2.534 1.00 0.00 C ATOM 1173 CG PHE A 78 12.189 1.503 3.253 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.281 0.800 3.734 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.140 2.873 3.448 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.306 1.451 4.396 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.161 3.530 4.108 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.245 2.818 4.584 1.00 0.00 C ATOM 0 H PHE A 78 11.342 -1.585 4.106 1.00 0.00 H new ATOM 0 HA PHE A 78 9.503 0.717 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.509 0.104 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.493 1.522 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.333 -0.269 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.294 3.435 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.153 0.891 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.112 4.599 4.252 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.043 3.329 5.102 1.00 0.00 H new ATOM 1188 N TYR A 79 7.988 -0.581 2.535 1.00 0.00 N ATOM 1189 CA TYR A 79 7.039 -1.397 1.786 1.00 0.00 C ATOM 1190 C TYR A 79 6.809 -0.822 0.392 1.00 0.00 C ATOM 1191 O TYR A 79 6.840 0.393 0.195 1.00 0.00 O ATOM 1192 CB TYR A 79 5.710 -1.490 2.538 1.00 0.00 C ATOM 1193 CG TYR A 79 5.845 -2.040 3.940 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.259 -1.229 4.989 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.558 -3.372 4.215 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.384 -1.728 6.271 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.679 -3.879 5.494 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.092 -3.053 6.519 1.00 0.00 C ATOM 1199 OH TYR A 79 6.214 -3.553 7.795 1.00 0.00 O ATOM 0 H TYR A 79 7.586 0.260 2.949 1.00 0.00 H new ATOM 0 HA TYR A 79 7.460 -2.397 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.260 -0.498 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.026 -2.123 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.487 -0.191 4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.235 -4.022 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.709 -1.084 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.452 -4.916 5.691 1.00 0.00 H new ATOM 0 HH TYR A 79 5.970 -4.502 7.799 1.00 0.00 H new ATOM 1209 N VAL A 80 6.576 -1.705 -0.574 1.00 0.00 N ATOM 1210 CA VAL A 80 6.338 -1.288 -1.951 1.00 0.00 C ATOM 1211 C VAL A 80 4.891 -1.541 -2.359 1.00 0.00 C ATOM 1212 O VAL A 80 4.241 -2.455 -1.849 1.00 0.00 O ATOM 1213 CB VAL A 80 7.273 -2.022 -2.930 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.092 -1.489 -4.343 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.721 -1.891 -2.483 1.00 0.00 C ATOM 0 H VAL A 80 6.547 -2.714 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 80 6.544 -0.219 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 80 7.011 -3.080 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.761 -2.020 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.060 -1.640 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.325 -0.424 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.368 -2.416 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.998 -0.837 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.836 -2.326 -1.490 1.00 0.00 H new ATOM 1225 N LEU A 81 4.392 -0.727 -3.282 1.00 0.00 N ATOM 1226 CA LEU A 81 3.020 -0.863 -3.761 1.00 0.00 C ATOM 1227 C LEU A 81 2.994 -1.193 -5.250 1.00 0.00 C ATOM 1228 O LEU A 81 3.789 -0.665 -6.028 1.00 0.00 O ATOM 1229 CB LEU A 81 2.238 0.425 -3.499 1.00 0.00 C ATOM 1230 CG LEU A 81 1.645 0.576 -2.097 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.621 1.700 -2.069 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.017 -0.732 -1.639 1.00 0.00 C ATOM 0 H LEU A 81 4.916 0.034 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 81 2.551 -1.683 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.898 1.272 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.426 0.488 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 81 2.451 0.829 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.210 1.793 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.101 2.637 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.183 1.477 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.600 -0.605 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.223 -1.016 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.777 -1.513 -1.619 1.00 0.00 H new ATOM 1244 N ARG A 82 2.072 -2.068 -5.641 1.00 0.00 N ATOM 1245 CA ARG A 82 1.942 -2.467 -7.037 1.00 0.00 C ATOM 1246 C ARG A 82 1.032 -1.504 -7.795 1.00 0.00 C ATOM 1247 O ARG A 82 0.014 -1.053 -7.271 1.00 0.00 O ATOM 1248 CB ARG A 82 1.388 -3.890 -7.133 1.00 0.00 C ATOM 1249 CG ARG A 82 1.315 -4.421 -8.555 1.00 0.00 C ATOM 1250 CD ARG A 82 1.450 -5.935 -8.592 1.00 0.00 C ATOM 1251 NE ARG A 82 0.742 -6.520 -9.727 1.00 0.00 N ATOM 1252 CZ ARG A 82 0.489 -7.819 -9.846 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.884 -8.663 -8.903 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -0.161 -8.275 -10.908 1.00 0.00 N ATOM 0 H ARG A 82 1.405 -2.513 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 82 2.933 -2.438 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.013 -4.555 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.391 -3.913 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.367 -4.128 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.106 -3.969 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.505 -6.204 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.060 -6.356 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 82 0.424 -5.897 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.383 -8.316 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.689 -9.660 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.467 -7.628 -11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.355 -9.272 -10.998 1.00 0.00 H new ATOM 1268 N PHE A 83 1.408 -1.193 -9.031 1.00 0.00 N ATOM 1269 CA PHE A 83 0.628 -0.283 -9.861 1.00 0.00 C ATOM 1270 C PHE A 83 0.969 -0.464 -11.337 1.00 0.00 C ATOM 1271 O PHE A 83 2.136 -0.597 -11.703 1.00 0.00 O ATOM 1272 CB PHE A 83 0.881 1.167 -9.442 1.00 0.00 C ATOM 1273 CG PHE A 83 0.191 1.551 -8.164 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.189 1.492 -8.062 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.923 1.971 -7.066 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.827 1.845 -6.888 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.291 2.324 -5.889 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.086 2.262 -5.800 1.00 0.00 C ATOM 0 H PHE A 83 2.248 -1.558 -9.480 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.427 -0.517 -9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.954 1.322 -9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.547 1.831 -10.239 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.773 1.166 -8.910 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.000 2.023 -7.130 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.904 1.795 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.873 2.648 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.582 2.539 -4.882 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.059 -0.470 -12.180 1.00 0.00 N ATOM 1289 CA ASN A 84 0.131 -0.637 -13.616 1.00 0.00 C ATOM 1290 C ASN A 84 1.116 0.395 -14.158 1.00 0.00 C ATOM 1291 O ASN A 84 2.094 0.048 -14.820 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.207 -0.514 -14.346 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.936 -1.840 -14.445 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.696 -2.626 -15.362 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.832 -2.094 -13.499 1.00 0.00 N ATOM 0 H ASN A 84 -1.032 -0.361 -11.893 1.00 0.00 H new ATOM 0 HA ASN A 84 0.542 -1.632 -13.790 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.837 0.206 -13.824 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.036 -0.121 -15.348 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.354 -2.970 -13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.998 -1.413 -12.758 1.00 0.00 H new ATOM 1302 N SER A 85 0.851 1.666 -13.871 1.00 0.00 N ATOM 1303 CA SER A 85 1.711 2.749 -14.332 1.00 0.00 C ATOM 1304 C SER A 85 1.581 3.969 -13.425 1.00 0.00 C ATOM 1305 O SER A 85 0.722 4.013 -12.544 1.00 0.00 O ATOM 1306 CB SER A 85 1.361 3.130 -15.772 1.00 0.00 C ATOM 1307 OG SER A 85 2.484 3.673 -16.443 1.00 0.00 O ATOM 0 H SER A 85 0.047 1.970 -13.321 1.00 0.00 H new ATOM 0 HA SER A 85 2.743 2.400 -14.297 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.004 2.250 -16.308 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.548 3.856 -15.772 1.00 0.00 H new ATOM 0 HG SER A 85 2.235 3.907 -17.362 1.00 0.00 H new ATOM 1313 N SER A 86 2.440 4.958 -13.648 1.00 0.00 N ATOM 1314 CA SER A 86 2.425 6.179 -12.850 1.00 0.00 C ATOM 1315 C SER A 86 0.998 6.680 -12.650 1.00 0.00 C ATOM 1316 O SER A 86 0.629 7.120 -11.562 1.00 0.00 O ATOM 1317 CB SER A 86 3.270 7.263 -13.521 1.00 0.00 C ATOM 1318 OG SER A 86 3.173 8.491 -12.821 1.00 0.00 O ATOM 0 H SER A 86 3.155 4.938 -14.375 1.00 0.00 H new ATOM 0 HA SER A 86 2.851 5.950 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.312 6.944 -13.560 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.940 7.401 -14.551 1.00 0.00 H new ATOM 0 HG SER A 86 3.723 9.167 -13.269 1.00 0.00 H new ATOM 1324 N ASP A 87 0.200 6.609 -13.710 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.188 7.054 -13.653 1.00 0.00 C ATOM 1326 C ASP A 87 -1.918 6.407 -12.480 1.00 0.00 C ATOM 1327 O ASP A 87 -2.454 7.096 -11.612 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.906 6.724 -14.962 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.391 6.492 -14.766 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -4.080 7.423 -14.300 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.864 5.378 -15.076 1.00 0.00 O ATOM 0 H ASP A 87 0.490 6.248 -14.619 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.192 8.134 -13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.759 7.540 -15.669 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.458 5.834 -15.404 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.937 5.078 -12.462 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.603 4.337 -11.396 1.00 0.00 C ATOM 1338 C HIS A 88 -2.344 4.986 -10.040 1.00 0.00 C ATOM 1339 O HIS A 88 -3.230 5.035 -9.186 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.124 2.885 -11.380 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.148 1.922 -10.862 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.248 0.620 -11.305 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.119 2.078 -9.932 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.238 0.017 -10.671 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.783 0.880 -9.832 1.00 0.00 N ATOM 0 H HIS A 88 -1.499 4.492 -13.173 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.676 4.356 -11.589 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.842 2.593 -12.391 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.227 2.814 -10.765 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.332 2.977 -9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.549 -1.007 -10.814 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.569 0.688 -9.211 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.126 5.482 -9.850 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.752 6.128 -8.598 1.00 0.00 C ATOM 1355 C ILE A 89 -1.405 7.500 -8.471 1.00 0.00 C ATOM 1356 O ILE A 89 -2.100 7.779 -7.495 1.00 0.00 O ATOM 1357 CB ILE A 89 0.776 6.285 -8.480 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.442 4.916 -8.332 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.126 7.181 -7.302 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.651 4.200 -9.648 1.00 0.00 C ATOM 0 H ILE A 89 -0.382 5.449 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.106 5.484 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 89 1.150 6.752 -9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.406 5.041 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.830 4.292 -7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.209 7.283 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.678 8.164 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.742 6.739 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.127 3.237 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.688 4.043 -10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.288 4.804 -10.294 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.176 8.352 -9.465 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.744 9.695 -9.464 1.00 0.00 C ATOM 1374 C GLU A 90 -3.206 9.668 -9.029 1.00 0.00 C ATOM 1375 O GLU A 90 -3.642 10.495 -8.228 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.626 10.324 -10.854 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.235 10.849 -11.168 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.238 11.880 -12.280 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.436 13.076 -11.980 1.00 0.00 O ATOM 1380 OE2 GLU A 90 -0.041 11.491 -13.450 1.00 0.00 O ATOM 0 H GLU A 90 -0.602 8.137 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.182 10.298 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.903 9.583 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.341 11.143 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.194 11.291 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.408 10.016 -11.452 1.00 0.00 H new ATOM 1387 N SER A 91 -3.959 8.712 -9.564 1.00 0.00 N ATOM 1388 CA SER A 91 -5.373 8.579 -9.235 1.00 0.00 C ATOM 1389 C SER A 91 -5.563 8.342 -7.740 1.00 0.00 C ATOM 1390 O SER A 91 -6.328 9.046 -7.080 1.00 0.00 O ATOM 1391 CB SER A 91 -5.997 7.429 -10.028 1.00 0.00 C ATOM 1392 OG SER A 91 -7.412 7.480 -9.974 1.00 0.00 O ATOM 0 H SER A 91 -3.613 8.018 -10.227 1.00 0.00 H new ATOM 0 HA SER A 91 -5.872 9.510 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.668 7.478 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.649 6.477 -9.628 1.00 0.00 H new ATOM 0 HG SER A 91 -7.786 6.735 -10.490 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.862 7.344 -7.212 1.00 0.00 N ATOM 1399 CA LYS A 92 -4.951 7.013 -5.794 1.00 0.00 C ATOM 1400 C LYS A 92 -4.633 8.229 -4.930 1.00 0.00 C ATOM 1401 O LYS A 92 -5.186 8.392 -3.843 1.00 0.00 O ATOM 1402 CB LYS A 92 -3.992 5.869 -5.456 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.292 4.582 -6.206 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.600 3.961 -5.747 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.731 2.522 -6.223 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.057 1.942 -5.876 1.00 0.00 N ATOM 0 H LYS A 92 -4.226 6.750 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.973 6.697 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.973 6.182 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.036 5.674 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.341 4.786 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.478 3.873 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.657 3.992 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.436 4.549 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.589 2.482 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.942 1.918 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.107 0.961 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.183 1.956 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.809 2.503 -6.324 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.739 9.082 -5.422 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.364 10.272 -4.682 1.00 0.00 C ATOM 1422 C GLY A 93 -2.136 10.057 -3.820 1.00 0.00 C ATOM 1423 O GLY A 93 -1.779 10.915 -3.012 1.00 0.00 O ATOM 0 H GLY A 93 -3.268 8.970 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.175 11.086 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.197 10.581 -4.051 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.489 8.909 -3.991 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.294 8.585 -3.222 1.00 0.00 C ATOM 1429 C ILE A 94 0.916 9.358 -3.733 1.00 0.00 C ATOM 1430 O ILE A 94 1.180 9.397 -4.936 1.00 0.00 O ATOM 1431 CB ILE A 94 0.015 7.077 -3.273 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.234 6.265 -2.923 1.00 0.00 C ATOM 1433 CG2 ILE A 94 1.156 6.738 -2.325 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.285 4.913 -3.599 1.00 0.00 C ATOM 0 H ILE A 94 -1.772 8.188 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.495 8.872 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 94 0.321 6.818 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.275 6.124 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.119 6.836 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.363 5.669 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.048 7.293 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.876 7.009 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.197 4.393 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.276 5.047 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.419 4.323 -3.299 1.00 0.00 H new ATOM 1446 N LYS A 95 1.651 9.973 -2.813 1.00 0.00 N ATOM 1447 CA LYS A 95 2.836 10.743 -3.168 1.00 0.00 C ATOM 1448 C LYS A 95 3.741 10.941 -1.956 1.00 0.00 C ATOM 1449 O LYS A 95 3.346 10.661 -0.823 1.00 0.00 O ATOM 1450 CB LYS A 95 2.432 12.103 -3.743 1.00 0.00 C ATOM 1451 CG LYS A 95 1.333 12.794 -2.955 1.00 0.00 C ATOM 1452 CD LYS A 95 1.877 13.460 -1.703 1.00 0.00 C ATOM 1453 CE LYS A 95 1.033 14.657 -1.296 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.182 15.791 -2.250 1.00 0.00 N ATOM 0 H LYS A 95 1.446 9.953 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 95 3.388 10.184 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.308 12.750 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.100 11.969 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.848 13.541 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.570 12.066 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.902 12.737 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.904 13.780 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.015 14.362 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.322 14.983 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.885 16.674 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.177 15.871 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.589 15.621 -3.087 1.00 0.00 H new ATOM 1468 N ILE A 96 4.954 11.424 -2.201 1.00 0.00 N ATOM 1469 CA ILE A 96 5.912 11.661 -1.129 1.00 0.00 C ATOM 1470 C ILE A 96 5.277 12.448 0.013 1.00 0.00 C ATOM 1471 O ILE A 96 4.450 13.332 -0.212 1.00 0.00 O ATOM 1472 CB ILE A 96 7.149 12.425 -1.637 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.846 11.632 -2.745 1.00 0.00 C ATOM 1474 CG2 ILE A 96 8.110 12.700 -0.491 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.639 10.450 -2.234 1.00 0.00 C ATOM 0 H ILE A 96 5.297 11.659 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 96 6.224 10.682 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 96 6.823 13.380 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.097 11.278 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.513 12.298 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.979 13.240 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.609 13.301 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.432 11.756 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.106 9.935 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.411 10.799 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.973 9.763 -1.712 1.00 0.00 H new ATOM 1487 N LYS A 97 5.670 12.121 1.240 1.00 0.00 N ATOM 1488 CA LYS A 97 5.142 12.799 2.418 1.00 0.00 C ATOM 1489 C LYS A 97 3.660 12.490 2.605 1.00 0.00 C ATOM 1490 O LYS A 97 2.873 13.370 2.954 1.00 0.00 O ATOM 1491 CB LYS A 97 5.348 14.310 2.298 1.00 0.00 C ATOM 1492 CG LYS A 97 6.788 14.708 2.023 1.00 0.00 C ATOM 1493 CD LYS A 97 7.560 14.935 3.312 1.00 0.00 C ATOM 1494 CE LYS A 97 9.056 15.027 3.056 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.775 15.664 4.194 1.00 0.00 N ATOM 0 H LYS A 97 6.352 11.391 1.444 1.00 0.00 H new ATOM 0 HA LYS A 97 5.684 12.433 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.715 14.692 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.018 14.788 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.276 13.929 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.807 15.617 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.214 15.853 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.358 14.120 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.458 14.028 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.234 15.601 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.792 15.708 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.410 16.627 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.626 15.103 5.057 1.00 0.00 H new ATOM 1509 N GLU A 98 3.287 11.236 2.370 1.00 0.00 N ATOM 1510 CA GLU A 98 1.899 10.813 2.514 1.00 0.00 C ATOM 1511 C GLU A 98 1.790 9.612 3.449 1.00 0.00 C ATOM 1512 O GLU A 98 2.215 8.506 3.111 1.00 0.00 O ATOM 1513 CB GLU A 98 1.304 10.465 1.148 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.214 10.415 1.139 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.754 9.046 1.503 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.316 8.052 0.885 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.614 8.967 2.405 1.00 0.00 O ATOM 0 H GLU A 98 3.926 10.496 2.079 1.00 0.00 H new ATOM 0 HA GLU A 98 1.337 11.641 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.639 11.201 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.693 9.498 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.602 11.153 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.577 10.694 0.150 1.00 0.00 H new ATOM 1524 N THR A 99 1.217 9.836 4.627 1.00 0.00 N ATOM 1525 CA THR A 99 1.053 8.774 5.612 1.00 0.00 C ATOM 1526 C THR A 99 -0.012 7.776 5.173 1.00 0.00 C ATOM 1527 O THR A 99 -1.071 8.162 4.680 1.00 0.00 O ATOM 1528 CB THR A 99 0.671 9.342 6.992 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.522 10.446 7.321 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.782 8.272 8.067 1.00 0.00 C ATOM 0 H THR A 99 0.858 10.744 4.922 1.00 0.00 H new ATOM 0 HA THR A 99 2.013 8.265 5.690 1.00 0.00 H new ATOM 0 HB THR A 99 -0.363 9.683 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.271 10.802 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.507 8.697 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.111 7.447 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.807 7.905 8.110 1.00 0.00 H new ATOM 1538 N MET A 100 0.277 6.492 5.354 1.00 0.00 N ATOM 1539 CA MET A 100 -0.659 5.438 4.978 1.00 0.00 C ATOM 1540 C MET A 100 -1.068 4.614 6.194 1.00 0.00 C ATOM 1541 O MET A 100 -0.531 4.795 7.288 1.00 0.00 O ATOM 1542 CB MET A 100 -0.035 4.528 3.917 1.00 0.00 C ATOM 1543 CG MET A 100 0.449 5.275 2.685 1.00 0.00 C ATOM 1544 SD MET A 100 0.383 4.266 1.192 1.00 0.00 S ATOM 1545 CE MET A 100 -1.134 4.860 0.448 1.00 0.00 C ATOM 0 H MET A 100 1.151 6.156 5.758 1.00 0.00 H new ATOM 0 HA MET A 100 -1.551 5.909 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.804 3.990 4.359 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.768 3.781 3.614 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.160 6.168 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.473 5.611 2.847 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.341 4.293 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.958 4.733 1.151 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.028 5.916 0.199 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.021 3.710 5.997 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.504 2.861 7.080 1.00 0.00 C ATOM 1557 C TYR A 101 -2.962 1.506 6.546 1.00 0.00 C ATOM 1558 O TYR A 101 -3.071 1.307 5.336 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.655 3.545 7.819 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.393 5.002 8.130 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.273 5.939 7.111 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.265 5.440 9.442 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.033 7.271 7.390 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.027 6.770 9.730 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.911 7.681 8.701 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.673 9.007 8.984 1.00 0.00 O ATOM 0 H TYR A 101 -2.474 3.546 5.098 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.680 2.699 7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.560 3.468 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.846 3.012 8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.369 5.621 6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.353 4.729 10.250 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.942 7.987 6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.932 7.095 10.756 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.615 9.129 9.955 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.229 0.578 7.459 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.675 -0.758 7.082 1.00 0.00 C ATOM 1578 C PHE A 102 -4.847 -1.206 7.951 1.00 0.00 C ATOM 1579 O PHE A 102 -5.240 -0.510 8.887 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.523 -1.757 7.206 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.748 -1.622 8.485 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.388 -1.701 9.711 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.378 -1.416 8.461 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.677 -1.577 10.889 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.339 -1.291 9.637 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.311 -1.372 10.852 1.00 0.00 C ATOM 0 H PHE A 102 -3.144 0.727 8.465 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.007 -0.723 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.921 -2.769 7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.844 -1.623 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.455 -1.861 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.136 -1.352 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.188 -1.640 11.838 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.406 -1.130 9.605 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.247 -1.275 11.772 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.401 -2.371 7.633 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.526 -2.913 8.385 1.00 0.00 C ATOM 1598 C ALA A 103 -6.282 -4.370 8.764 1.00 0.00 C ATOM 1599 O ALA A 103 -7.164 -5.035 9.309 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.810 -2.783 7.579 1.00 0.00 C ATOM 0 H ALA A 103 -5.089 -2.958 6.859 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.627 -2.338 9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.642 -3.192 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.999 -1.731 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.709 -3.333 6.643 1.00 0.00 H new