USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 CYS SG : rot -101:sc= 0.349 USER MOD Set 2.2: A 94 SER OG : rot 164:sc= -0.898 USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Set 4.1: A 22 THR OG1 : rot -178:sc= -0.769 USER MOD Set 4.2: A 39 GLN : amide:sc= 0 K(o=-0.77,f=-1.9) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.899 USER MOD Single : A 37 SER OG : rot 32:sc= 0.769 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.055) USER MOD Single : A 58 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.5!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5) USER MOD Single : A 72 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.15) USER MOD Single : A 84 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5.3!) USER MOD Single : A 86 TYR OH : rot 15:sc= -0.829 USER MOD Single : A 93 GLN : amide:sc= 0.0333 K(o=0.033,f=-1.6!) USER MOD Single : A 95 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.399 16.893 -1.632 1.00 0.00 N ATOM 185 CA GLY A 16 8.175 16.796 -2.406 1.00 0.00 C ATOM 186 C GLY A 16 7.704 15.365 -2.570 1.00 0.00 C ATOM 187 O GLY A 16 7.101 15.014 -3.584 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.393 17.379 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.335 17.237 -3.390 1.00 0.00 H new ATOM 191 N VAL A 17 7.982 14.534 -1.570 1.00 0.00 N ATOM 192 CA VAL A 17 7.583 13.132 -1.608 1.00 0.00 C ATOM 193 C VAL A 17 6.292 12.907 -0.829 1.00 0.00 C ATOM 194 O VAL A 17 5.968 13.637 0.108 1.00 0.00 O ATOM 195 CB VAL A 17 8.683 12.220 -1.033 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.872 12.155 -1.980 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.112 12.706 0.343 1.00 0.00 C ATOM 0 H VAL A 17 8.482 14.808 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 17 7.421 12.877 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 17 8.278 11.213 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.639 11.506 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.550 11.756 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.280 13.156 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.890 12.050 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.499 13.722 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.255 12.695 1.016 1.00 0.00 H new ATOM 207 N PRO A 18 5.536 11.871 -1.223 1.00 0.00 N ATOM 208 CA PRO A 18 4.269 11.524 -0.574 1.00 0.00 C ATOM 209 C PRO A 18 4.470 10.969 0.832 1.00 0.00 C ATOM 210 O PRO A 18 5.188 9.987 1.025 1.00 0.00 O ATOM 211 CB PRO A 18 3.681 10.451 -1.494 1.00 0.00 C ATOM 212 CG PRO A 18 4.861 9.847 -2.173 1.00 0.00 C ATOM 213 CD PRO A 18 5.861 10.959 -2.332 1.00 0.00 C ATOM 0 HA PRO A 18 3.625 12.394 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.125 9.704 -0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.988 10.884 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.276 9.031 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.583 9.430 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.885 10.592 -2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.764 11.452 -3.299 1.00 0.00 H new ATOM 221 N ASP A 19 3.832 11.602 1.810 1.00 0.00 N ATOM 222 CA ASP A 19 3.940 11.170 3.198 1.00 0.00 C ATOM 223 C ASP A 19 3.320 9.789 3.388 1.00 0.00 C ATOM 224 O ASP A 19 2.449 9.377 2.621 1.00 0.00 O ATOM 225 CB ASP A 19 3.259 12.180 4.124 1.00 0.00 C ATOM 226 CG ASP A 19 3.878 12.206 5.507 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.086 11.913 5.623 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.153 12.521 6.475 1.00 0.00 O ATOM 0 H ASP A 19 3.235 12.416 1.667 1.00 0.00 H new ATOM 0 HA ASP A 19 4.998 11.111 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.323 13.174 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.200 11.935 4.208 1.00 0.00 H new ATOM 233 N THR A 20 3.775 9.077 4.414 1.00 0.00 N ATOM 234 CA THR A 20 3.267 7.742 4.702 1.00 0.00 C ATOM 235 C THR A 20 1.750 7.689 4.566 1.00 0.00 C ATOM 236 O THR A 20 1.022 8.498 5.143 1.00 0.00 O ATOM 237 CB THR A 20 3.659 7.286 6.121 1.00 0.00 C ATOM 238 OG1 THR A 20 5.036 7.592 6.370 1.00 0.00 O ATOM 239 CG2 THR A 20 3.427 5.792 6.293 1.00 0.00 C ATOM 0 H THR A 20 4.495 9.403 5.059 1.00 0.00 H new ATOM 0 HA THR A 20 3.718 7.069 3.973 1.00 0.00 H new ATOM 0 HB THR A 20 3.033 7.819 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.277 7.301 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.711 5.494 7.302 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.373 5.566 6.131 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.031 5.244 5.569 1.00 0.00 H new ATOM 247 N PRO A 21 1.258 6.716 3.785 1.00 0.00 N ATOM 248 CA PRO A 21 -0.178 6.534 3.555 1.00 0.00 C ATOM 249 C PRO A 21 -0.906 6.037 4.800 1.00 0.00 C ATOM 250 O PRO A 21 -0.341 5.301 5.609 1.00 0.00 O ATOM 251 CB PRO A 21 -0.230 5.478 2.448 1.00 0.00 C ATOM 252 CG PRO A 21 1.047 4.723 2.586 1.00 0.00 C ATOM 253 CD PRO A 21 2.067 5.717 3.066 1.00 0.00 C ATOM 0 HA PRO A 21 -0.670 7.470 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.093 4.822 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.313 5.939 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.940 3.901 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.347 4.286 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.805 5.252 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.614 6.165 2.236 1.00 0.00 H new ATOM 261 N THR A 22 -2.163 6.444 4.947 1.00 0.00 N ATOM 262 CA THR A 22 -2.967 6.041 6.093 1.00 0.00 C ATOM 263 C THR A 22 -3.262 4.546 6.059 1.00 0.00 C ATOM 264 O THR A 22 -3.006 3.876 5.059 1.00 0.00 O ATOM 265 CB THR A 22 -4.299 6.814 6.145 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.136 8.109 5.557 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.784 6.960 7.580 1.00 0.00 C ATOM 0 H THR A 22 -2.646 7.053 4.286 1.00 0.00 H new ATOM 0 HA THR A 22 -2.385 6.274 6.985 1.00 0.00 H new ATOM 0 HB THR A 22 -5.044 6.251 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.978 8.606 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.726 7.509 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.934 5.972 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.040 7.504 8.162 1.00 0.00 H new ATOM 275 N ARG A 23 -3.802 4.029 7.158 1.00 0.00 N ATOM 276 CA ARG A 23 -4.131 2.612 7.254 1.00 0.00 C ATOM 277 C ARG A 23 -4.763 2.112 5.958 1.00 0.00 C ATOM 278 O ARG A 23 -5.207 2.903 5.125 1.00 0.00 O ATOM 279 CB ARG A 23 -5.083 2.365 8.426 1.00 0.00 C ATOM 280 CG ARG A 23 -4.528 2.818 9.766 1.00 0.00 C ATOM 281 CD ARG A 23 -5.477 2.479 10.905 1.00 0.00 C ATOM 282 NE ARG A 23 -6.540 3.471 11.046 1.00 0.00 N ATOM 283 CZ ARG A 23 -7.479 3.414 11.983 1.00 0.00 C ATOM 284 NH1 ARG A 23 -7.487 2.419 12.859 1.00 0.00 N ATOM 285 NH2 ARG A 23 -8.413 4.355 12.047 1.00 0.00 N ATOM 0 H ARG A 23 -4.021 4.570 7.994 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.206 2.061 7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.022 2.885 8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.313 1.301 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.563 2.342 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.354 3.894 9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.918 1.498 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.916 2.414 11.837 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.562 4.250 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.770 1.694 12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.210 2.378 13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.410 5.123 11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.134 4.310 12.767 1.00 0.00 H new ATOM 299 N LEU A 24 -4.799 0.794 5.793 1.00 0.00 N ATOM 300 CA LEU A 24 -5.376 0.188 4.598 1.00 0.00 C ATOM 301 C LEU A 24 -6.696 -0.505 4.922 1.00 0.00 C ATOM 302 O LEU A 24 -6.863 -1.071 6.002 1.00 0.00 O ATOM 303 CB LEU A 24 -4.396 -0.817 3.988 1.00 0.00 C ATOM 304 CG LEU A 24 -2.911 -0.521 4.203 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.057 -1.663 3.674 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.526 0.790 3.533 1.00 0.00 C ATOM 0 H LEU A 24 -4.436 0.125 6.472 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.571 0.981 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.613 -1.802 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.584 -0.872 2.916 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.731 -0.425 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.004 -1.435 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.314 -2.583 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.241 -1.791 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.466 0.985 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.722 0.723 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.114 1.603 3.959 1.00 0.00 H new ATOM 318 N VAL A 25 -7.630 -0.457 3.978 1.00 0.00 N ATOM 319 CA VAL A 25 -8.934 -1.083 4.161 1.00 0.00 C ATOM 320 C VAL A 25 -9.051 -2.361 3.339 1.00 0.00 C ATOM 321 O VAL A 25 -8.988 -2.330 2.110 1.00 0.00 O ATOM 322 CB VAL A 25 -10.076 -0.126 3.767 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.391 -0.882 3.653 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.189 1.010 4.772 1.00 0.00 C ATOM 0 H VAL A 25 -7.508 0.009 3.079 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.022 -1.327 5.220 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.847 0.304 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.186 -0.190 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.301 -1.657 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.631 -1.342 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.000 1.676 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.395 0.601 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.253 1.568 4.798 1.00 0.00 H new ATOM 334 N PHE A 26 -9.221 -3.486 4.026 1.00 0.00 N ATOM 335 CA PHE A 26 -9.347 -4.777 3.359 1.00 0.00 C ATOM 336 C PHE A 26 -10.807 -5.214 3.290 1.00 0.00 C ATOM 337 O PHE A 26 -11.545 -5.110 4.270 1.00 0.00 O ATOM 338 CB PHE A 26 -8.520 -5.836 4.093 1.00 0.00 C ATOM 339 CG PHE A 26 -7.100 -5.417 4.347 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.771 -4.690 5.479 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.095 -5.750 3.453 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.465 -4.303 5.717 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.788 -5.367 3.686 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.472 -4.641 4.818 1.00 0.00 C ATOM 0 H PHE A 26 -9.275 -3.530 5.044 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.970 -4.671 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.999 -6.064 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.520 -6.756 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.544 -4.422 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.336 -6.315 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.222 -3.737 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.013 -5.635 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.451 -4.338 5.000 1.00 0.00 H new ATOM 354 N SER A 27 -11.217 -5.704 2.125 1.00 0.00 N ATOM 355 CA SER A 27 -12.590 -6.153 1.925 1.00 0.00 C ATOM 356 C SER A 27 -12.686 -7.672 2.037 1.00 0.00 C ATOM 357 O SER A 27 -13.626 -8.203 2.628 1.00 0.00 O ATOM 358 CB SER A 27 -13.104 -5.697 0.558 1.00 0.00 C ATOM 359 OG SER A 27 -14.495 -5.935 0.431 1.00 0.00 O ATOM 0 H SER A 27 -10.618 -5.800 1.305 1.00 0.00 H new ATOM 0 HA SER A 27 -13.209 -5.709 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.900 -4.635 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.568 -6.225 -0.230 1.00 0.00 H new ATOM 0 HG SER A 27 -14.799 -5.634 -0.450 1.00 0.00 H new ATOM 365 N ALA A 28 -11.707 -8.364 1.464 1.00 0.00 N ATOM 366 CA ALA A 28 -11.680 -9.821 1.501 1.00 0.00 C ATOM 367 C ALA A 28 -12.879 -10.411 0.767 1.00 0.00 C ATOM 368 O ALA A 28 -13.622 -11.222 1.323 1.00 0.00 O ATOM 369 CB ALA A 28 -11.645 -10.312 2.940 1.00 0.00 C ATOM 0 H ALA A 28 -10.923 -7.940 0.969 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.776 -10.156 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.625 -11.402 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.753 -9.927 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.532 -9.959 3.466 1.00 0.00 H new ATOM 375 N LEU A 29 -13.063 -10.000 -0.482 1.00 0.00 N ATOM 376 CA LEU A 29 -14.174 -10.488 -1.292 1.00 0.00 C ATOM 377 C LEU A 29 -14.356 -11.993 -1.118 1.00 0.00 C ATOM 378 O LEU A 29 -15.463 -12.513 -1.243 1.00 0.00 O ATOM 379 CB LEU A 29 -13.939 -10.159 -2.768 1.00 0.00 C ATOM 380 CG LEU A 29 -13.901 -8.673 -3.126 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.782 -7.873 -2.180 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.471 -8.153 -3.094 1.00 0.00 C ATOM 0 H LEU A 29 -12.458 -9.330 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.083 -9.989 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -12.995 -10.610 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.725 -10.634 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.288 -8.553 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.742 -6.818 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.810 -8.228 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.426 -7.999 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.463 -7.094 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.058 -8.287 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.867 -8.706 -3.813 1.00 0.00 H new ATOM 394 N GLY A 30 -13.260 -12.686 -0.825 1.00 0.00 N ATOM 395 CA GLY A 30 -13.320 -14.123 -0.635 1.00 0.00 C ATOM 396 C GLY A 30 -12.047 -14.682 -0.030 1.00 0.00 C ATOM 397 O GLY A 30 -11.194 -13.945 0.465 1.00 0.00 O ATOM 0 H GLY A 30 -12.332 -12.278 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.163 -14.366 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.505 -14.606 -1.595 1.00 0.00 H new ATOM 401 N PRO A 31 -11.907 -16.016 -0.063 1.00 0.00 N ATOM 402 CA PRO A 31 -10.733 -16.702 0.484 1.00 0.00 C ATOM 403 C PRO A 31 -9.477 -16.452 -0.344 1.00 0.00 C ATOM 404 O PRO A 31 -8.361 -16.483 0.176 1.00 0.00 O ATOM 405 CB PRO A 31 -11.127 -18.180 0.424 1.00 0.00 C ATOM 406 CG PRO A 31 -12.136 -18.260 -0.669 1.00 0.00 C ATOM 407 CD PRO A 31 -12.884 -16.956 -0.638 1.00 0.00 C ATOM 0 HA PRO A 31 -10.487 -16.352 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.264 -18.811 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.544 -18.517 1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.654 -18.410 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.812 -19.101 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.198 -16.649 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.784 -17.024 -0.027 1.00 0.00 H new ATOM 415 N THR A 32 -9.666 -16.202 -1.636 1.00 0.00 N ATOM 416 CA THR A 32 -8.548 -15.947 -2.536 1.00 0.00 C ATOM 417 C THR A 32 -8.666 -14.571 -3.183 1.00 0.00 C ATOM 418 O THR A 32 -8.037 -14.299 -4.205 1.00 0.00 O ATOM 419 CB THR A 32 -8.462 -17.016 -3.642 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.709 -17.099 -4.341 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.111 -18.375 -3.055 1.00 0.00 C ATOM 0 H THR A 32 -10.583 -16.171 -2.082 1.00 0.00 H new ATOM 0 HA THR A 32 -7.641 -15.985 -1.932 1.00 0.00 H new ATOM 0 HB THR A 32 -7.675 -16.725 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.646 -17.779 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.056 -19.114 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.147 -18.315 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.878 -18.671 -2.340 1.00 0.00 H new ATOM 429 N SER A 33 -9.477 -13.707 -2.580 1.00 0.00 N ATOM 430 CA SER A 33 -9.679 -12.360 -3.100 1.00 0.00 C ATOM 431 C SER A 33 -9.654 -11.333 -1.972 1.00 0.00 C ATOM 432 O SER A 33 -10.018 -11.634 -0.834 1.00 0.00 O ATOM 433 CB SER A 33 -11.009 -12.275 -3.852 1.00 0.00 C ATOM 434 OG SER A 33 -12.030 -12.977 -3.164 1.00 0.00 O ATOM 0 H SER A 33 -10.004 -13.916 -1.732 1.00 0.00 H new ATOM 0 HA SER A 33 -8.865 -12.137 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.298 -11.231 -3.970 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.891 -12.688 -4.854 1.00 0.00 H new ATOM 0 HG SER A 33 -12.870 -12.906 -3.664 1.00 0.00 H new ATOM 440 N LEU A 34 -9.222 -10.119 -2.295 1.00 0.00 N ATOM 441 CA LEU A 34 -9.148 -9.045 -1.310 1.00 0.00 C ATOM 442 C LEU A 34 -9.206 -7.680 -1.987 1.00 0.00 C ATOM 443 O LEU A 34 -8.964 -7.561 -3.189 1.00 0.00 O ATOM 444 CB LEU A 34 -7.862 -9.166 -0.490 1.00 0.00 C ATOM 445 CG LEU A 34 -7.966 -9.970 0.806 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.644 -10.652 1.119 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.390 -9.071 1.959 1.00 0.00 C ATOM 0 H LEU A 34 -8.918 -9.853 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.006 -9.136 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.097 -9.623 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.515 -8.162 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.726 -10.740 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.738 -11.219 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.381 -11.327 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.864 -9.899 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.459 -9.660 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.653 -8.279 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.362 -8.629 1.738 1.00 0.00 H new ATOM 459 N ARG A 35 -9.526 -6.652 -1.208 1.00 0.00 N ATOM 460 CA ARG A 35 -9.615 -5.294 -1.733 1.00 0.00 C ATOM 461 C ARG A 35 -8.958 -4.300 -0.780 1.00 0.00 C ATOM 462 O ARG A 35 -9.542 -3.916 0.233 1.00 0.00 O ATOM 463 CB ARG A 35 -11.077 -4.908 -1.962 1.00 0.00 C ATOM 464 CG ARG A 35 -11.252 -3.671 -2.828 1.00 0.00 C ATOM 465 CD ARG A 35 -12.721 -3.329 -3.021 1.00 0.00 C ATOM 466 NE ARG A 35 -12.929 -2.420 -4.145 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.047 -2.825 -5.405 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.980 -4.116 -5.699 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.234 -1.937 -6.373 1.00 0.00 N ATOM 0 H ARG A 35 -9.728 -6.733 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.085 -5.263 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.596 -5.745 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.554 -4.736 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.738 -2.827 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.785 -3.836 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.288 -4.245 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.110 -2.874 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.987 -1.420 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.838 -4.801 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.071 -4.424 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.287 -0.943 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.325 -2.248 -7.340 1.00 0.00 H new ATOM 483 N VAL A 36 -7.739 -3.886 -1.113 1.00 0.00 N ATOM 484 CA VAL A 36 -7.003 -2.936 -0.288 1.00 0.00 C ATOM 485 C VAL A 36 -7.247 -1.503 -0.749 1.00 0.00 C ATOM 486 O VAL A 36 -7.209 -1.210 -1.944 1.00 0.00 O ATOM 487 CB VAL A 36 -5.490 -3.222 -0.318 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.711 -2.040 0.239 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.173 -4.492 0.458 1.00 0.00 C ATOM 0 H VAL A 36 -7.241 -4.194 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.368 -3.054 0.732 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.187 -3.370 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.644 -2.261 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.915 -1.154 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.015 -1.857 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.100 -4.679 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.491 -4.374 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.701 -5.334 0.010 1.00 0.00 H new ATOM 499 N SER A 37 -7.497 -0.614 0.207 1.00 0.00 N ATOM 500 CA SER A 37 -7.750 0.788 -0.101 1.00 0.00 C ATOM 501 C SER A 37 -7.040 1.700 0.895 1.00 0.00 C ATOM 502 O SER A 37 -7.135 1.507 2.107 1.00 0.00 O ATOM 503 CB SER A 37 -9.254 1.072 -0.087 1.00 0.00 C ATOM 504 OG SER A 37 -9.522 2.420 -0.431 1.00 0.00 O ATOM 0 H SER A 37 -7.530 -0.840 1.201 1.00 0.00 H new ATOM 0 HA SER A 37 -7.358 0.992 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.759 0.407 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.658 0.859 0.903 1.00 0.00 H new ATOM 0 HG SER A 37 -8.847 2.736 -1.067 1.00 0.00 H new ATOM 510 N TRP A 38 -6.329 2.694 0.374 1.00 0.00 N ATOM 511 CA TRP A 38 -5.602 3.636 1.217 1.00 0.00 C ATOM 512 C TRP A 38 -6.185 5.040 1.092 1.00 0.00 C ATOM 513 O TRP A 38 -7.198 5.243 0.423 1.00 0.00 O ATOM 514 CB TRP A 38 -4.120 3.651 0.840 1.00 0.00 C ATOM 515 CG TRP A 38 -3.883 3.749 -0.637 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.501 4.859 -1.334 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.016 2.696 -1.598 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.388 4.560 -2.670 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.697 3.239 -2.858 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.370 1.346 -1.516 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.724 2.479 -4.024 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.397 0.593 -2.674 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.075 1.160 -3.915 1.00 0.00 C ATOM 0 H TRP A 38 -6.241 2.868 -0.627 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.703 3.311 2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.635 4.492 1.335 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.647 2.744 1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.315 5.830 -0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.118 5.216 -3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.618 0.900 -0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.477 2.914 -4.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.671 -0.450 -2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.104 0.545 -4.802 1.00 0.00 H new ATOM 534 N GLN A 39 -5.539 6.004 1.739 1.00 0.00 N ATOM 535 CA GLN A 39 -5.995 7.388 1.699 1.00 0.00 C ATOM 536 C GLN A 39 -4.938 8.292 1.073 1.00 0.00 C ATOM 537 O GLN A 39 -3.851 8.465 1.623 1.00 0.00 O ATOM 538 CB GLN A 39 -6.330 7.878 3.110 1.00 0.00 C ATOM 539 CG GLN A 39 -6.987 9.248 3.138 1.00 0.00 C ATOM 540 CD GLN A 39 -7.609 9.569 4.483 1.00 0.00 C ATOM 541 OE1 GLN A 39 -7.425 8.837 5.456 1.00 0.00 O ATOM 542 NE2 GLN A 39 -8.352 10.668 4.544 1.00 0.00 N ATOM 0 H GLN A 39 -4.699 5.852 2.297 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.894 7.430 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.993 7.157 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.415 7.911 3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.244 10.008 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.755 9.294 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.478 11.245 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.797 10.935 5.422 1.00 0.00 H new ATOM 551 N GLU A 40 -5.265 8.865 -0.082 1.00 0.00 N ATOM 552 CA GLU A 40 -4.343 9.750 -0.783 1.00 0.00 C ATOM 553 C GLU A 40 -3.614 10.664 0.197 1.00 0.00 C ATOM 554 O GLU A 40 -4.163 11.650 0.691 1.00 0.00 O ATOM 555 CB GLU A 40 -5.094 10.589 -1.818 1.00 0.00 C ATOM 556 CG GLU A 40 -4.231 11.644 -2.489 1.00 0.00 C ATOM 557 CD GLU A 40 -5.041 12.815 -3.011 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.603 12.701 -4.120 1.00 0.00 O ATOM 559 OE2 GLU A 40 -5.112 13.846 -2.310 1.00 0.00 O ATOM 0 H GLU A 40 -6.161 8.732 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.605 9.132 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.504 9.927 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.939 11.078 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.490 12.008 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.684 11.189 -3.314 1.00 0.00 H new ATOM 566 N PRO A 41 -2.348 10.330 0.488 1.00 0.00 N ATOM 567 CA PRO A 41 -1.516 11.108 1.411 1.00 0.00 C ATOM 568 C PRO A 41 -1.130 12.467 0.839 1.00 0.00 C ATOM 569 O PRO A 41 -1.357 12.742 -0.339 1.00 0.00 O ATOM 570 CB PRO A 41 -0.274 10.232 1.594 1.00 0.00 C ATOM 571 CG PRO A 41 -0.206 9.409 0.353 1.00 0.00 C ATOM 572 CD PRO A 41 -1.630 9.168 -0.063 1.00 0.00 C ATOM 0 HA PRO A 41 -2.038 11.330 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.624 10.838 1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.359 9.605 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.347 9.929 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.311 8.467 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.728 9.112 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.013 8.231 0.340 1.00 0.00 H new ATOM 580 N ARG A 42 -0.545 13.314 1.681 1.00 0.00 N ATOM 581 CA ARG A 42 -0.128 14.645 1.258 1.00 0.00 C ATOM 582 C ARG A 42 1.163 14.579 0.448 1.00 0.00 C ATOM 583 O ARG A 42 2.012 13.718 0.684 1.00 0.00 O ATOM 584 CB ARG A 42 0.066 15.552 2.474 1.00 0.00 C ATOM 585 CG ARG A 42 1.275 15.187 3.320 1.00 0.00 C ATOM 586 CD ARG A 42 1.574 16.258 4.356 1.00 0.00 C ATOM 587 NE ARG A 42 2.133 17.465 3.752 1.00 0.00 N ATOM 588 CZ ARG A 42 2.098 18.660 4.329 1.00 0.00 C ATOM 589 NH1 ARG A 42 1.534 18.809 5.520 1.00 0.00 N ATOM 590 NH2 ARG A 42 2.628 19.711 3.716 1.00 0.00 N ATOM 0 H ARG A 42 -0.350 13.102 2.659 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.912 15.060 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.168 16.583 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.828 15.508 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.096 14.235 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.143 15.050 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.658 16.511 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.274 15.864 5.093 1.00 0.00 H new ATOM 0 HE ARG A 42 2.575 17.385 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.126 18.004 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.509 19.728 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.063 19.601 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.600 20.628 4.161 1.00 0.00 H new ATOM 604 N CYS A 43 1.304 15.492 -0.506 1.00 0.00 N ATOM 605 CA CYS A 43 2.492 15.536 -1.352 1.00 0.00 C ATOM 606 C CYS A 43 2.539 16.833 -2.155 1.00 0.00 C ATOM 607 O CYS A 43 1.717 17.053 -3.043 1.00 0.00 O ATOM 608 CB CYS A 43 2.515 14.335 -2.298 1.00 0.00 C ATOM 609 SG CYS A 43 4.042 14.177 -3.253 1.00 0.00 S ATOM 0 H CYS A 43 0.611 16.211 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 43 3.370 15.497 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.367 13.425 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.674 14.413 -2.987 1.00 0.00 H new ATOM 0 HG CYS A 43 3.850 14.629 -4.457 1.00 0.00 H new ATOM 615 N GLU A 44 3.506 17.686 -1.834 1.00 0.00 N ATOM 616 CA GLU A 44 3.658 18.962 -2.524 1.00 0.00 C ATOM 617 C GLU A 44 3.458 18.794 -4.028 1.00 0.00 C ATOM 618 O GLU A 44 3.029 19.721 -4.715 1.00 0.00 O ATOM 619 CB GLU A 44 5.041 19.556 -2.246 1.00 0.00 C ATOM 620 CG GLU A 44 5.170 21.014 -2.652 1.00 0.00 C ATOM 621 CD GLU A 44 4.352 21.939 -1.772 1.00 0.00 C ATOM 622 OE1 GLU A 44 4.872 22.377 -0.725 1.00 0.00 O ATOM 623 OE2 GLU A 44 3.190 22.226 -2.131 1.00 0.00 O ATOM 0 H GLU A 44 4.195 17.517 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 44 2.895 19.643 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.260 19.463 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.792 18.972 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.218 21.309 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.851 21.128 -3.688 1.00 0.00 H new ATOM 630 N ARG A 45 3.773 17.605 -4.531 1.00 0.00 N ATOM 631 CA ARG A 45 3.630 17.316 -5.953 1.00 0.00 C ATOM 632 C ARG A 45 2.510 16.307 -6.192 1.00 0.00 C ATOM 633 O ARG A 45 2.182 15.491 -5.331 1.00 0.00 O ATOM 634 CB ARG A 45 4.945 16.778 -6.521 1.00 0.00 C ATOM 635 CG ARG A 45 6.109 17.745 -6.381 1.00 0.00 C ATOM 636 CD ARG A 45 6.174 18.713 -7.552 1.00 0.00 C ATOM 637 NE ARG A 45 7.481 19.354 -7.660 1.00 0.00 N ATOM 638 CZ ARG A 45 7.869 20.368 -6.895 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.053 20.854 -5.969 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.075 20.898 -7.054 1.00 0.00 N ATOM 0 H ARG A 45 4.129 16.827 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 45 3.375 18.245 -6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.195 15.846 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.805 16.541 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.009 18.304 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.042 17.186 -6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.955 18.179 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.405 19.476 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 45 8.133 19.004 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.125 20.449 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.353 21.633 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.706 20.527 -7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.371 21.677 -6.466 1.00 0.00 H new ATOM 654 N PRO A 46 1.908 16.363 -7.390 1.00 0.00 N ATOM 655 CA PRO A 46 0.817 15.462 -7.770 1.00 0.00 C ATOM 656 C PRO A 46 1.292 14.026 -7.967 1.00 0.00 C ATOM 657 O PRO A 46 2.201 13.765 -8.756 1.00 0.00 O ATOM 658 CB PRO A 46 0.319 16.047 -9.094 1.00 0.00 C ATOM 659 CG PRO A 46 1.492 16.777 -9.650 1.00 0.00 C ATOM 660 CD PRO A 46 2.248 17.310 -8.465 1.00 0.00 C ATOM 0 HA PRO A 46 0.049 15.404 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.017 15.262 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.527 16.717 -8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.118 16.113 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.173 17.587 -10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.321 17.337 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.942 18.326 -8.217 1.00 0.00 H new ATOM 668 N LEU A 47 0.672 13.099 -7.246 1.00 0.00 N ATOM 669 CA LEU A 47 1.031 11.688 -7.342 1.00 0.00 C ATOM 670 C LEU A 47 0.795 11.161 -8.754 1.00 0.00 C ATOM 671 O LEU A 47 -0.135 11.587 -9.438 1.00 0.00 O ATOM 672 CB LEU A 47 0.223 10.866 -6.337 1.00 0.00 C ATOM 673 CG LEU A 47 0.243 11.365 -4.892 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.958 10.832 -4.126 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.538 10.959 -4.205 1.00 0.00 C ATOM 0 H LEU A 47 -0.082 13.298 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 47 2.092 11.592 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.813 10.833 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.596 9.842 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 47 0.187 12.453 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.927 11.198 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.876 11.173 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.934 9.742 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.534 11.323 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.625 9.872 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.384 11.390 -4.740 1.00 0.00 H new ATOM 687 N GLN A 48 1.642 10.230 -9.182 1.00 0.00 N ATOM 688 CA GLN A 48 1.524 9.644 -10.512 1.00 0.00 C ATOM 689 C GLN A 48 0.749 8.332 -10.461 1.00 0.00 C ATOM 690 O GLN A 48 0.135 7.924 -11.446 1.00 0.00 O ATOM 691 CB GLN A 48 2.911 9.408 -11.113 1.00 0.00 C ATOM 692 CG GLN A 48 3.668 10.690 -11.420 1.00 0.00 C ATOM 693 CD GLN A 48 4.822 10.471 -12.378 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.347 9.363 -12.494 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.224 11.530 -13.072 1.00 0.00 N ATOM 0 H GLN A 48 2.417 9.866 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 48 0.977 10.344 -11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.500 8.805 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.806 8.829 -12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.980 11.420 -11.847 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.048 11.115 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.760 12.429 -12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.996 11.444 -13.733 1.00 0.00 H new ATOM 704 N GLY A 49 0.782 7.675 -9.306 1.00 0.00 N ATOM 705 CA GLY A 49 0.078 6.415 -9.149 1.00 0.00 C ATOM 706 C GLY A 49 0.152 5.883 -7.731 1.00 0.00 C ATOM 707 O GLY A 49 0.127 6.652 -6.770 1.00 0.00 O ATOM 0 H GLY A 49 1.283 7.992 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.967 6.548 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.500 5.679 -9.833 1.00 0.00 H new ATOM 711 N TYR A 50 0.240 4.564 -7.600 1.00 0.00 N ATOM 712 CA TYR A 50 0.313 3.929 -6.290 1.00 0.00 C ATOM 713 C TYR A 50 0.940 2.542 -6.390 1.00 0.00 C ATOM 714 O TYR A 50 1.120 2.008 -7.484 1.00 0.00 O ATOM 715 CB TYR A 50 -1.082 3.827 -5.671 1.00 0.00 C ATOM 716 CG TYR A 50 -1.639 5.156 -5.211 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.981 5.911 -4.248 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.824 5.655 -5.738 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.487 7.124 -3.824 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.336 6.868 -5.321 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.664 7.599 -4.364 1.00 0.00 C ATOM 722 OH TYR A 50 -3.171 8.808 -3.945 1.00 0.00 O ATOM 0 H TYR A 50 0.262 3.914 -8.386 1.00 0.00 H new ATOM 0 HA TYR A 50 0.943 4.547 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.763 3.390 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.045 3.145 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.058 5.543 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.354 5.084 -6.487 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.964 7.698 -3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.258 7.242 -5.742 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.005 8.997 -4.424 1.00 0.00 H new ATOM 732 N SER A 51 1.268 1.964 -5.239 1.00 0.00 N ATOM 733 CA SER A 51 1.878 0.640 -5.196 1.00 0.00 C ATOM 734 C SER A 51 1.306 -0.184 -4.046 1.00 0.00 C ATOM 735 O SER A 51 1.075 0.332 -2.953 1.00 0.00 O ATOM 736 CB SER A 51 3.396 0.758 -5.048 1.00 0.00 C ATOM 737 OG SER A 51 3.981 -0.501 -4.763 1.00 0.00 O ATOM 0 H SER A 51 1.122 2.391 -4.324 1.00 0.00 H new ATOM 0 HA SER A 51 1.651 0.132 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.824 1.162 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.633 1.461 -4.250 1.00 0.00 H new ATOM 0 HG SER A 51 4.952 -0.398 -4.675 1.00 0.00 H new ATOM 743 N VAL A 52 1.081 -1.469 -4.302 1.00 0.00 N ATOM 744 CA VAL A 52 0.537 -2.366 -3.289 1.00 0.00 C ATOM 745 C VAL A 52 1.308 -3.680 -3.248 1.00 0.00 C ATOM 746 O VAL A 52 1.108 -4.555 -4.090 1.00 0.00 O ATOM 747 CB VAL A 52 -0.952 -2.665 -3.545 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.511 -3.564 -2.453 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.746 -1.371 -3.640 1.00 0.00 C ATOM 0 H VAL A 52 1.267 -1.912 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 52 0.638 -1.858 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.041 -3.190 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.564 -3.765 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.959 -4.504 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.411 -3.069 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.796 -1.601 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.652 -0.817 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.360 -0.767 -4.461 1.00 0.00 H new ATOM 759 N GLU A 53 2.191 -3.812 -2.263 1.00 0.00 N ATOM 760 CA GLU A 53 2.993 -5.021 -2.113 1.00 0.00 C ATOM 761 C GLU A 53 2.361 -5.970 -1.099 1.00 0.00 C ATOM 762 O GLU A 53 1.947 -5.554 -0.017 1.00 0.00 O ATOM 763 CB GLU A 53 4.416 -4.665 -1.678 1.00 0.00 C ATOM 764 CG GLU A 53 5.317 -4.244 -2.827 1.00 0.00 C ATOM 765 CD GLU A 53 6.446 -3.336 -2.380 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.200 -2.122 -2.218 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.574 -3.838 -2.194 1.00 0.00 O ATOM 0 H GLU A 53 2.369 -3.097 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 53 3.032 -5.523 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.372 -3.857 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.859 -5.525 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.736 -5.132 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.721 -3.732 -3.582 1.00 0.00 H new ATOM 774 N TYR A 54 2.292 -7.248 -1.457 1.00 0.00 N ATOM 775 CA TYR A 54 1.709 -8.256 -0.581 1.00 0.00 C ATOM 776 C TYR A 54 2.469 -9.575 -0.686 1.00 0.00 C ATOM 777 O TYR A 54 2.948 -9.943 -1.758 1.00 0.00 O ATOM 778 CB TYR A 54 0.235 -8.475 -0.929 1.00 0.00 C ATOM 779 CG TYR A 54 0.023 -9.375 -2.125 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.203 -10.749 -2.026 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.357 -8.852 -3.355 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.011 -11.576 -3.116 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.552 -9.671 -4.450 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.367 -11.032 -4.326 1.00 0.00 C ATOM 785 OH TYR A 54 -0.560 -11.851 -5.415 1.00 0.00 O ATOM 0 H TYR A 54 2.633 -7.609 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 54 1.783 -7.895 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.273 -8.905 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.231 -7.509 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.498 -11.178 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.502 -7.787 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.156 -12.642 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.848 -9.248 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.824 -11.310 -6.188 1.00 0.00 H new ATOM 795 N GLN A 55 2.573 -10.282 0.435 1.00 0.00 N ATOM 796 CA GLN A 55 3.275 -11.559 0.469 1.00 0.00 C ATOM 797 C GLN A 55 2.979 -12.308 1.764 1.00 0.00 C ATOM 798 O GLN A 55 2.411 -11.747 2.702 1.00 0.00 O ATOM 799 CB GLN A 55 4.782 -11.342 0.324 1.00 0.00 C ATOM 800 CG GLN A 55 5.499 -11.154 1.651 1.00 0.00 C ATOM 801 CD GLN A 55 6.978 -10.869 1.480 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.495 -9.878 1.996 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.669 -11.739 0.752 1.00 0.00 N ATOM 0 H GLN A 55 2.180 -9.992 1.331 1.00 0.00 H new ATOM 0 HA GLN A 55 2.921 -12.162 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.215 -12.196 -0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.956 -10.466 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.035 -10.332 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.373 -12.051 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.200 -12.547 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.668 -11.599 0.603 1.00 0.00 H new ATOM 812 N LEU A 56 3.367 -13.578 1.809 1.00 0.00 N ATOM 813 CA LEU A 56 3.143 -14.405 2.990 1.00 0.00 C ATOM 814 C LEU A 56 3.981 -13.913 4.166 1.00 0.00 C ATOM 815 O LEU A 56 5.211 -13.957 4.127 1.00 0.00 O ATOM 816 CB LEU A 56 3.480 -15.866 2.685 1.00 0.00 C ATOM 817 CG LEU A 56 2.388 -16.673 1.983 1.00 0.00 C ATOM 818 CD1 LEU A 56 2.948 -17.988 1.463 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.220 -16.924 2.925 1.00 0.00 C ATOM 0 H LEU A 56 3.838 -14.057 1.042 1.00 0.00 H new ATOM 0 HA LEU A 56 2.090 -14.330 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.377 -15.890 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.727 -16.365 3.622 1.00 0.00 H new ATOM 0 HG LEU A 56 2.025 -16.094 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.157 -18.549 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.750 -17.786 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.339 -18.572 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.453 -17.500 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.567 -17.482 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.802 -15.971 3.248 1.00 0.00 H new ATOM 831 N LEU A 57 3.307 -13.446 5.212 1.00 0.00 N ATOM 832 CA LEU A 57 3.989 -12.948 6.401 1.00 0.00 C ATOM 833 C LEU A 57 5.209 -13.803 6.728 1.00 0.00 C ATOM 834 O LEU A 57 6.333 -13.307 6.773 1.00 0.00 O ATOM 835 CB LEU A 57 3.030 -12.930 7.593 1.00 0.00 C ATOM 836 CG LEU A 57 3.374 -11.950 8.716 1.00 0.00 C ATOM 837 CD1 LEU A 57 3.113 -10.519 8.273 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.576 -12.276 9.970 1.00 0.00 C ATOM 0 H LEU A 57 2.289 -13.402 5.260 1.00 0.00 H new ATOM 0 HA LEU A 57 4.325 -11.931 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.031 -12.695 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.987 -13.934 8.015 1.00 0.00 H new ATOM 0 HG LEU A 57 4.434 -12.049 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.363 -9.836 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.728 -10.290 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.060 -10.405 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.833 -11.569 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.510 -12.205 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.812 -13.288 10.299 1.00 0.00 H new ATOM 850 N ASN A 58 4.978 -15.093 6.953 1.00 0.00 N ATOM 851 CA ASN A 58 6.058 -16.018 7.274 1.00 0.00 C ATOM 852 C ASN A 58 7.229 -15.842 6.312 1.00 0.00 C ATOM 853 O ASN A 58 8.384 -15.772 6.730 1.00 0.00 O ATOM 854 CB ASN A 58 5.554 -17.462 7.223 1.00 0.00 C ATOM 855 CG ASN A 58 4.894 -17.797 5.899 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.571 -18.053 4.903 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.566 -17.796 5.883 1.00 0.00 N ATOM 0 H ASN A 58 4.053 -15.521 6.919 1.00 0.00 H new ATOM 0 HA ASN A 58 6.404 -15.797 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.389 -18.142 7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.842 -17.624 8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.066 -18.013 5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.046 -17.578 6.733 1.00 0.00 H new ATOM 864 N GLY A 59 6.921 -15.772 5.020 1.00 0.00 N ATOM 865 CA GLY A 59 7.958 -15.604 4.019 1.00 0.00 C ATOM 866 C GLY A 59 7.720 -16.458 2.789 1.00 0.00 C ATOM 867 O GLY A 59 8.242 -17.567 2.685 1.00 0.00 O ATOM 0 H GLY A 59 5.972 -15.829 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.009 -14.556 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.924 -15.860 4.454 1.00 0.00 H new ATOM 871 N GLY A 60 6.927 -15.941 1.856 1.00 0.00 N ATOM 872 CA GLY A 60 6.633 -16.678 0.641 1.00 0.00 C ATOM 873 C GLY A 60 6.961 -15.888 -0.611 1.00 0.00 C ATOM 874 O GLY A 60 8.072 -15.381 -0.758 1.00 0.00 O ATOM 0 H GLY A 60 6.483 -15.025 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.200 -17.609 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.577 -16.948 0.630 1.00 0.00 H new ATOM 878 N GLU A 61 5.992 -15.784 -1.514 1.00 0.00 N ATOM 879 CA GLU A 61 6.185 -15.052 -2.761 1.00 0.00 C ATOM 880 C GLU A 61 5.676 -13.619 -2.634 1.00 0.00 C ATOM 881 O GLU A 61 4.538 -13.386 -2.224 1.00 0.00 O ATOM 882 CB GLU A 61 5.467 -15.760 -3.911 1.00 0.00 C ATOM 883 CG GLU A 61 5.653 -15.079 -5.256 1.00 0.00 C ATOM 884 CD GLU A 61 5.318 -15.988 -6.422 1.00 0.00 C ATOM 885 OE1 GLU A 61 4.308 -16.718 -6.335 1.00 0.00 O ATOM 886 OE2 GLU A 61 6.066 -15.970 -7.422 1.00 0.00 O ATOM 0 H GLU A 61 5.066 -16.197 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 61 7.254 -15.023 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.831 -16.785 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.402 -15.814 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.022 -14.191 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.685 -14.741 -5.348 1.00 0.00 H new ATOM 893 N LEU A 62 6.527 -12.662 -2.988 1.00 0.00 N ATOM 894 CA LEU A 62 6.165 -11.251 -2.915 1.00 0.00 C ATOM 895 C LEU A 62 5.614 -10.759 -4.250 1.00 0.00 C ATOM 896 O LEU A 62 6.236 -10.947 -5.296 1.00 0.00 O ATOM 897 CB LEU A 62 7.379 -10.413 -2.511 1.00 0.00 C ATOM 898 CG LEU A 62 7.161 -8.900 -2.450 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.898 -8.343 -3.841 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.011 -8.565 -1.512 1.00 0.00 C ATOM 0 H LEU A 62 7.472 -12.838 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 62 5.387 -11.140 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.719 -10.751 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.186 -10.615 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 62 8.067 -8.436 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.745 -7.266 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.753 -8.552 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.007 -8.812 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.870 -7.485 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.098 -9.040 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.240 -8.930 -0.511 1.00 0.00 H new ATOM 912 N HIS A 63 4.446 -10.127 -4.206 1.00 0.00 N ATOM 913 CA HIS A 63 3.813 -9.606 -5.412 1.00 0.00 C ATOM 914 C HIS A 63 3.631 -8.094 -5.319 1.00 0.00 C ATOM 915 O HIS A 63 2.940 -7.595 -4.430 1.00 0.00 O ATOM 916 CB HIS A 63 2.459 -10.281 -5.636 1.00 0.00 C ATOM 917 CG HIS A 63 2.555 -11.762 -5.840 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.639 -12.345 -7.087 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.583 -12.779 -4.948 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.711 -13.657 -6.953 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.680 -13.947 -5.664 1.00 0.00 N ATOM 0 H HIS A 63 3.919 -9.963 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 63 4.464 -9.826 -6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.816 -10.081 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.978 -9.833 -6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.538 -12.689 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.783 -14.371 -7.760 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.721 -14.885 -5.266 1.00 0.00 H new ATOM 929 N ARG A 64 4.255 -7.370 -6.243 1.00 0.00 N ATOM 930 CA ARG A 64 4.164 -5.915 -6.264 1.00 0.00 C ATOM 931 C ARG A 64 3.140 -5.450 -7.296 1.00 0.00 C ATOM 932 O ARG A 64 3.250 -5.766 -8.481 1.00 0.00 O ATOM 933 CB ARG A 64 5.531 -5.302 -6.573 1.00 0.00 C ATOM 934 CG ARG A 64 5.557 -3.786 -6.460 1.00 0.00 C ATOM 935 CD ARG A 64 6.873 -3.213 -6.963 1.00 0.00 C ATOM 936 NE ARG A 64 6.838 -1.756 -7.050 1.00 0.00 N ATOM 937 CZ ARG A 64 7.926 -0.994 -7.078 1.00 0.00 C ATOM 938 NH1 ARG A 64 9.129 -1.550 -7.025 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.812 0.325 -7.159 1.00 0.00 N ATOM 0 H ARG A 64 4.829 -7.767 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 64 3.839 -5.581 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.271 -5.722 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.829 -5.588 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.732 -3.363 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.406 -3.495 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.679 -3.517 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.098 -3.629 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 64 5.928 -1.298 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.220 -2.564 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.963 -0.964 -7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.888 0.755 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.648 0.909 -7.180 1.00 0.00 H new ATOM 953 N LEU A 65 2.146 -4.698 -6.837 1.00 0.00 N ATOM 954 CA LEU A 65 1.102 -4.189 -7.720 1.00 0.00 C ATOM 955 C LEU A 65 1.255 -2.687 -7.935 1.00 0.00 C ATOM 956 O LEU A 65 1.423 -1.927 -6.982 1.00 0.00 O ATOM 957 CB LEU A 65 -0.279 -4.494 -7.137 1.00 0.00 C ATOM 958 CG LEU A 65 -0.563 -5.961 -6.814 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.801 -6.086 -5.940 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.727 -6.767 -8.094 1.00 0.00 C ATOM 0 H LEU A 65 2.041 -4.427 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 65 1.201 -4.687 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.402 -3.911 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.034 -4.145 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 65 0.287 -6.362 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.987 -7.137 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.645 -5.543 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.660 -5.667 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.929 -7.809 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.558 -6.365 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.188 -6.705 -8.683 1.00 0.00 H new ATOM 972 N ASN A 66 1.194 -2.265 -9.194 1.00 0.00 N ATOM 973 CA ASN A 66 1.325 -0.853 -9.535 1.00 0.00 C ATOM 974 C ASN A 66 -0.004 -0.287 -10.027 1.00 0.00 C ATOM 975 O ASN A 66 -0.771 -0.975 -10.701 1.00 0.00 O ATOM 976 CB ASN A 66 2.402 -0.663 -10.605 1.00 0.00 C ATOM 977 CG ASN A 66 3.789 -1.006 -10.097 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.304 -0.361 -9.183 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.400 -2.025 -10.689 1.00 0.00 N ATOM 0 H ASN A 66 1.055 -2.881 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 66 1.618 -0.313 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.169 -1.289 -11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.390 0.371 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.335 -2.302 -10.390 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.934 -2.531 -11.443 1.00 0.00 H new ATOM 986 N ILE A 67 -0.267 0.970 -9.687 1.00 0.00 N ATOM 987 CA ILE A 67 -1.502 1.628 -10.096 1.00 0.00 C ATOM 988 C ILE A 67 -1.222 2.753 -11.088 1.00 0.00 C ATOM 989 O ILE A 67 -0.656 3.791 -10.744 1.00 0.00 O ATOM 990 CB ILE A 67 -2.261 2.203 -8.886 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.192 1.232 -7.705 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.708 2.492 -9.257 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.894 -0.083 -7.962 1.00 0.00 C ATOM 0 H ILE A 67 0.358 1.553 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.121 0.869 -10.575 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.788 3.140 -8.591 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.147 1.036 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.635 1.706 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.231 2.898 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.737 3.216 -10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.193 1.569 -9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.804 -0.721 -7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.948 0.102 -8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.436 -0.579 -8.818 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.630 2.545 -12.348 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.436 3.531 -13.416 1.00 0.00 C ATOM 1007 C PRO A 68 -2.314 4.765 -13.231 1.00 0.00 C ATOM 1008 O PRO A 68 -2.337 5.654 -14.081 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.843 2.770 -14.680 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.785 1.719 -14.203 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.312 1.332 -12.829 1.00 0.00 C ATOM 0 HA PRO A 68 -0.414 3.910 -13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.321 3.431 -15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.976 2.330 -15.174 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.807 2.096 -14.172 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.783 0.859 -14.873 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.144 1.055 -12.181 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.636 0.478 -12.863 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.034 4.811 -12.115 1.00 0.00 N ATOM 1020 CA ASN A 69 -3.914 5.936 -11.820 1.00 0.00 C ATOM 1021 C ASN A 69 -3.695 6.439 -10.396 1.00 0.00 C ATOM 1022 O ASN A 69 -3.939 5.733 -9.417 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.377 5.531 -12.010 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.310 6.726 -12.029 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -5.973 7.783 -12.561 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.492 6.562 -11.445 1.00 0.00 N ATOM 0 H ASN A 69 -3.026 4.083 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.675 6.743 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.480 4.978 -12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.672 4.856 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.162 7.331 -11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.729 5.667 -11.016 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.223 7.689 -10.275 1.00 0.00 N ATOM 1034 CA PRO A 70 -2.962 8.314 -8.976 1.00 0.00 C ATOM 1035 C PRO A 70 -4.245 8.620 -8.211 1.00 0.00 C ATOM 1036 O PRO A 70 -4.206 9.019 -7.047 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.238 9.611 -9.346 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.693 9.917 -10.731 1.00 0.00 C ATOM 1039 CD PRO A 70 -2.910 8.588 -11.399 1.00 0.00 C ATOM 0 HA PRO A 70 -2.388 7.662 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.494 10.417 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.156 9.486 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.612 10.502 -10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.947 10.505 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.726 8.629 -12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.022 8.261 -11.940 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.382 8.430 -8.872 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.677 8.683 -8.253 1.00 0.00 C ATOM 1049 C ALA A 71 -7.243 7.414 -7.625 1.00 0.00 C ATOM 1050 O ALA A 71 -7.988 7.475 -6.647 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.651 9.246 -9.278 1.00 0.00 C ATOM 0 H ALA A 71 -5.432 8.102 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.535 9.418 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.614 9.430 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.259 10.181 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.779 8.530 -10.090 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.884 6.267 -8.193 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.358 4.984 -7.687 1.00 0.00 C ATOM 1059 C GLN A 72 -6.634 4.606 -6.399 1.00 0.00 C ATOM 1060 O GLN A 72 -5.509 4.106 -6.429 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.155 3.892 -8.739 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.381 2.486 -8.207 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.793 1.419 -9.110 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.674 1.611 -10.320 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.421 0.287 -8.524 1.00 0.00 N ATOM 0 H GLN A 72 -6.267 6.200 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.422 5.077 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.835 4.070 -9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.142 3.964 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.938 2.401 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.451 2.312 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.538 0.171 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.018 -0.467 -9.080 1.00 0.00 H new ATOM 1074 N THR A 73 -7.288 4.848 -5.267 1.00 0.00 N ATOM 1075 CA THR A 73 -6.707 4.534 -3.967 1.00 0.00 C ATOM 1076 C THR A 73 -7.223 3.199 -3.442 1.00 0.00 C ATOM 1077 O THR A 73 -7.370 3.012 -2.234 1.00 0.00 O ATOM 1078 CB THR A 73 -7.015 5.634 -2.934 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.432 5.804 -2.807 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.375 6.953 -3.339 1.00 0.00 C ATOM 0 H THR A 73 -8.220 5.260 -5.224 1.00 0.00 H new ATOM 0 HA THR A 73 -5.628 4.472 -4.109 1.00 0.00 H new ATOM 0 HB THR A 73 -6.599 5.327 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.620 6.504 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.607 7.714 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.294 6.828 -3.406 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.765 7.264 -4.308 1.00 0.00 H new ATOM 1088 N SER A 74 -7.496 2.274 -4.357 1.00 0.00 N ATOM 1089 CA SER A 74 -7.999 0.957 -3.985 1.00 0.00 C ATOM 1090 C SER A 74 -7.718 -0.062 -5.085 1.00 0.00 C ATOM 1091 O SER A 74 -7.933 0.207 -6.267 1.00 0.00 O ATOM 1092 CB SER A 74 -9.503 1.022 -3.707 1.00 0.00 C ATOM 1093 OG SER A 74 -10.187 1.690 -4.753 1.00 0.00 O ATOM 0 H SER A 74 -7.377 2.412 -5.361 1.00 0.00 H new ATOM 0 HA SER A 74 -7.482 0.640 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.899 0.013 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.680 1.540 -2.764 1.00 0.00 H new ATOM 0 HG SER A 74 -11.146 1.717 -4.552 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.234 -1.235 -4.686 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.923 -2.296 -5.637 1.00 0.00 C ATOM 1101 C VAL A 75 -7.364 -3.655 -5.106 1.00 0.00 C ATOM 1102 O VAL A 75 -7.402 -3.879 -3.896 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.416 -2.344 -5.951 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.616 -2.619 -4.687 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.127 -3.393 -7.014 1.00 0.00 C ATOM 0 H VAL A 75 -7.049 -1.474 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.470 -2.072 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.112 -1.372 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.553 -2.649 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.801 -1.828 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.920 -3.577 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.058 -3.413 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.445 -4.372 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.671 -3.146 -7.926 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.697 -4.562 -6.019 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.134 -5.901 -5.644 1.00 0.00 C ATOM 1117 C VAL A 76 -6.997 -6.908 -5.778 1.00 0.00 C ATOM 1118 O VAL A 76 -6.340 -6.984 -6.816 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.322 -6.367 -6.507 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.718 -7.790 -6.147 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.501 -5.419 -6.345 1.00 0.00 C ATOM 0 H VAL A 76 -7.672 -4.393 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.450 -5.850 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.016 -6.355 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.559 -8.102 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.873 -8.457 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.006 -7.833 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.332 -5.763 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.809 -5.397 -5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.208 -4.417 -6.658 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.771 -7.680 -4.720 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.714 -8.685 -4.719 1.00 0.00 C ATOM 1133 C VAL A 77 -6.295 -10.094 -4.688 1.00 0.00 C ATOM 1134 O VAL A 77 -7.035 -10.451 -3.772 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.769 -8.505 -3.516 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.705 -9.592 -3.505 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.132 -7.124 -3.542 1.00 0.00 C ATOM 0 H VAL A 77 -7.305 -7.629 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.148 -8.549 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.353 -8.594 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.047 -9.448 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.184 -10.569 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.121 -9.539 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.467 -7.014 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.560 -7.004 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.911 -6.363 -3.497 1.00 0.00 H new ATOM 1147 N GLU A 78 -5.955 -10.891 -5.697 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.444 -12.262 -5.785 1.00 0.00 C ATOM 1149 C GLU A 78 -5.284 -13.246 -5.904 1.00 0.00 C ATOM 1150 O GLU A 78 -4.117 -12.861 -5.820 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.383 -12.416 -6.983 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.567 -11.464 -6.954 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.597 -11.783 -8.020 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.805 -12.981 -8.304 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.196 -10.835 -8.570 1.00 0.00 O ATOM 0 H GLU A 78 -5.344 -10.611 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.994 -12.484 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.818 -12.252 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.752 -13.441 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.040 -11.507 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.211 -10.443 -7.092 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.613 -14.518 -6.099 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.600 -15.559 -6.230 1.00 0.00 C ATOM 1164 C ASP A 79 -3.803 -15.707 -4.938 1.00 0.00 C ATOM 1165 O ASP A 79 -2.576 -15.819 -4.962 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.658 -15.240 -7.392 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.382 -14.616 -8.569 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.531 -13.377 -8.583 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.799 -15.367 -9.475 1.00 0.00 O ATOM 0 H ASP A 79 -6.574 -14.853 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.107 -16.502 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.878 -14.561 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.164 -16.155 -7.717 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.506 -15.705 -3.811 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.863 -15.838 -2.508 1.00 0.00 C ATOM 1176 C LEU A 80 -4.170 -17.196 -1.886 1.00 0.00 C ATOM 1177 O LEU A 80 -4.942 -17.983 -2.435 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.327 -14.720 -1.573 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.147 -13.293 -2.092 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.227 -12.381 -1.531 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.765 -12.766 -1.736 1.00 0.00 C ATOM 0 H LEU A 80 -5.521 -15.613 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.785 -15.760 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.383 -14.874 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.786 -14.814 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.240 -13.308 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.083 -11.370 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.207 -12.747 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.166 -12.372 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.655 -11.749 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.643 -12.766 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.005 -13.404 -2.186 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.561 -17.465 -0.736 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.771 -18.728 -0.037 1.00 0.00 C ATOM 1195 C LEU A 81 -4.772 -18.561 1.102 1.00 0.00 C ATOM 1196 O LEU A 81 -4.759 -17.570 1.832 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.443 -19.257 0.510 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.469 -19.820 -0.525 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.091 -20.016 0.090 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.992 -21.131 -1.093 1.00 0.00 C ATOM 0 H LEU A 81 -2.918 -16.826 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.176 -19.446 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.946 -18.449 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.658 -20.038 1.240 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.382 -19.103 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.589 -20.417 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.287 -19.058 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.161 -20.713 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.285 -21.517 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.109 -21.856 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.957 -20.961 -1.571 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.660 -19.553 1.260 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.683 -19.541 2.310 1.00 0.00 C ATOM 1214 C PRO A 82 -6.087 -19.720 3.702 1.00 0.00 C ATOM 1215 O PRO A 82 -5.138 -20.480 3.888 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.574 -20.733 1.952 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.688 -21.649 1.180 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.734 -20.765 0.426 1.00 0.00 C ATOM 0 HA PRO A 82 -7.215 -18.591 2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.963 -21.219 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.434 -20.421 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.151 -22.325 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.268 -22.269 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.757 -21.234 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.100 -20.541 -0.576 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.651 -19.016 4.678 1.00 0.00 N ATOM 1227 CA ASN A 83 -6.175 -19.098 6.054 1.00 0.00 C ATOM 1228 C ASN A 83 -4.675 -18.828 6.127 1.00 0.00 C ATOM 1229 O ASN A 83 -3.931 -19.568 6.773 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.486 -20.476 6.642 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.970 -20.684 6.874 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -8.395 -21.031 7.976 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.767 -20.473 5.833 1.00 0.00 N ATOM 0 H ASN A 83 -7.438 -18.382 4.541 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.692 -18.336 6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.115 -21.248 5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.953 -20.594 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.775 -20.598 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.371 -20.186 4.938 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.238 -17.764 5.462 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.827 -17.395 5.453 1.00 0.00 C ATOM 1242 C HIS A 84 -2.658 -15.887 5.608 1.00 0.00 C ATOM 1243 O HIS A 84 -3.310 -15.105 4.915 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.164 -17.863 4.157 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.689 -19.283 4.206 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.507 -20.360 3.939 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.471 -19.799 4.493 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.813 -21.478 4.061 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.574 -21.165 4.395 1.00 0.00 N ATOM 0 H HIS A 84 -4.840 -17.142 4.922 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.344 -17.886 6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.873 -17.754 3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.318 -17.213 3.936 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.494 -20.303 3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.417 -19.240 4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.194 -22.478 3.913 1.00 0.00 H new ATOM 1257 N SER A 85 -1.781 -15.485 6.522 1.00 0.00 N ATOM 1258 CA SER A 85 -1.531 -14.070 6.772 1.00 0.00 C ATOM 1259 C SER A 85 -0.649 -13.474 5.679 1.00 0.00 C ATOM 1260 O SER A 85 0.397 -14.027 5.338 1.00 0.00 O ATOM 1261 CB SER A 85 -0.868 -13.881 8.138 1.00 0.00 C ATOM 1262 OG SER A 85 -1.644 -14.469 9.167 1.00 0.00 O ATOM 0 H SER A 85 -1.231 -16.119 7.102 1.00 0.00 H new ATOM 0 HA SER A 85 -2.489 -13.550 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.126 -14.327 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.738 -12.818 8.339 1.00 0.00 H new ATOM 0 HG SER A 85 -1.198 -14.336 10.030 1.00 0.00 H new ATOM 1268 N TYR A 86 -1.078 -12.341 5.134 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.330 -11.670 4.078 1.00 0.00 C ATOM 1270 C TYR A 86 -0.063 -10.212 4.442 1.00 0.00 C ATOM 1271 O TYR A 86 -0.990 -9.439 4.680 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.096 -11.744 2.755 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.986 -13.086 2.067 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.049 -13.352 1.180 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.918 -14.089 2.306 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.152 -14.576 0.548 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.822 -15.317 1.680 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.786 -15.555 0.802 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.686 -16.777 0.176 1.00 0.00 O ATOM 0 H TYR A 86 -1.940 -11.868 5.406 1.00 0.00 H new ATOM 0 HA TYR A 86 0.627 -12.180 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.148 -11.525 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.723 -10.970 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.786 -12.588 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.731 -13.905 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.962 -14.765 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.554 -16.086 1.877 1.00 0.00 H new ATOM 0 HH TYR A 86 0.208 -16.872 -0.215 1.00 0.00 H new ATOM 1289 N VAL A 87 1.214 -9.844 4.482 1.00 0.00 N ATOM 1290 CA VAL A 87 1.606 -8.480 4.815 1.00 0.00 C ATOM 1291 C VAL A 87 1.415 -7.547 3.625 1.00 0.00 C ATOM 1292 O VAL A 87 2.202 -7.563 2.677 1.00 0.00 O ATOM 1293 CB VAL A 87 3.075 -8.415 5.274 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.960 -9.237 4.351 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.550 -6.971 5.335 1.00 0.00 C ATOM 0 H VAL A 87 1.994 -10.472 4.288 1.00 0.00 H new ATOM 0 HA VAL A 87 0.963 -8.156 5.633 1.00 0.00 H new ATOM 0 HB VAL A 87 3.144 -8.839 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.994 -9.179 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.632 -10.276 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.890 -8.846 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.590 -6.943 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.468 -6.519 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.934 -6.415 6.041 1.00 0.00 H new ATOM 1305 N PHE A 88 0.365 -6.735 3.679 1.00 0.00 N ATOM 1306 CA PHE A 88 0.069 -5.794 2.605 1.00 0.00 C ATOM 1307 C PHE A 88 0.655 -4.418 2.910 1.00 0.00 C ATOM 1308 O PHE A 88 0.139 -3.685 3.753 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.442 -5.682 2.397 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.028 -6.832 1.629 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.330 -8.026 2.265 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.278 -6.720 0.271 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.869 -9.085 1.561 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.817 -7.776 -0.439 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.114 -8.960 0.207 1.00 0.00 C ATOM 0 H PHE A 88 -0.296 -6.709 4.456 1.00 0.00 H new ATOM 0 HA PHE A 88 0.527 -6.170 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.931 -5.618 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.660 -4.754 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.142 -8.129 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.049 -5.796 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.099 -10.010 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.006 -7.676 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.537 -9.786 -0.345 1.00 0.00 H new ATOM 1325 N ARG A 89 1.737 -4.076 2.218 1.00 0.00 N ATOM 1326 CA ARG A 89 2.394 -2.789 2.415 1.00 0.00 C ATOM 1327 C ARG A 89 2.117 -1.852 1.244 1.00 0.00 C ATOM 1328 O ARG A 89 2.720 -1.977 0.178 1.00 0.00 O ATOM 1329 CB ARG A 89 3.903 -2.984 2.581 1.00 0.00 C ATOM 1330 CG ARG A 89 4.274 -3.927 3.714 1.00 0.00 C ATOM 1331 CD ARG A 89 5.782 -4.081 3.838 1.00 0.00 C ATOM 1332 NE ARG A 89 6.151 -5.017 4.896 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.349 -5.584 4.991 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.288 -5.311 4.096 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.609 -6.425 5.984 1.00 0.00 N ATOM 0 H ARG A 89 2.177 -4.672 1.517 1.00 0.00 H new ATOM 0 HA ARG A 89 1.990 -2.338 3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.316 -3.370 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.369 -2.015 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.867 -3.549 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.820 -4.903 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.190 -4.428 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.230 -3.109 4.042 1.00 0.00 H new ATOM 0 HE ARG A 89 5.451 -5.248 5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.092 -4.664 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.207 -5.748 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.889 -6.637 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.529 -6.860 6.056 1.00 0.00 H new ATOM 1349 N VAL A 90 1.200 -0.911 1.449 1.00 0.00 N ATOM 1350 CA VAL A 90 0.843 0.048 0.412 1.00 0.00 C ATOM 1351 C VAL A 90 1.803 1.233 0.405 1.00 0.00 C ATOM 1352 O VAL A 90 2.254 1.685 1.457 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.595 0.568 0.598 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.888 1.692 -0.384 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.596 -0.567 0.437 1.00 0.00 C ATOM 0 H VAL A 90 0.691 -0.793 2.325 1.00 0.00 H new ATOM 0 HA VAL A 90 0.911 -0.477 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.691 0.967 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.908 2.046 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.191 2.513 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.775 1.323 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.607 -0.182 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.501 -0.997 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.398 -1.336 1.184 1.00 0.00 H new ATOM 1365 N ARG A 91 2.110 1.731 -0.788 1.00 0.00 N ATOM 1366 CA ARG A 91 3.017 2.864 -0.933 1.00 0.00 C ATOM 1367 C ARG A 91 2.548 3.798 -2.045 1.00 0.00 C ATOM 1368 O ARG A 91 1.769 3.404 -2.912 1.00 0.00 O ATOM 1369 CB ARG A 91 4.436 2.374 -1.228 1.00 0.00 C ATOM 1370 CG ARG A 91 5.475 3.483 -1.233 1.00 0.00 C ATOM 1371 CD ARG A 91 6.864 2.943 -1.533 1.00 0.00 C ATOM 1372 NE ARG A 91 7.914 3.860 -1.096 1.00 0.00 N ATOM 1373 CZ ARG A 91 9.160 3.481 -0.837 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.511 2.209 -0.971 1.00 0.00 N ATOM 1375 NH2 ARG A 91 10.059 4.374 -0.444 1.00 0.00 N ATOM 0 H ARG A 91 1.744 1.368 -1.668 1.00 0.00 H new ATOM 0 HA ARG A 91 3.019 3.418 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.716 1.629 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.445 1.875 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.206 4.232 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.479 3.984 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.994 1.981 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.960 2.765 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 91 7.677 4.846 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.823 1.519 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.469 1.920 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.793 5.353 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.016 4.081 -0.245 1.00 0.00 H new ATOM 1389 N ALA A 92 3.028 5.036 -2.012 1.00 0.00 N ATOM 1390 CA ALA A 92 2.660 6.026 -3.017 1.00 0.00 C ATOM 1391 C ALA A 92 3.886 6.521 -3.775 1.00 0.00 C ATOM 1392 O ALA A 92 5.014 6.398 -3.296 1.00 0.00 O ATOM 1393 CB ALA A 92 1.931 7.192 -2.367 1.00 0.00 C ATOM 0 H ALA A 92 3.673 5.378 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 92 1.992 5.549 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.662 7.923 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.027 6.829 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.580 7.660 -1.628 1.00 0.00 H new ATOM 1399 N GLN A 93 3.659 7.081 -4.958 1.00 0.00 N ATOM 1400 CA GLN A 93 4.747 7.594 -5.782 1.00 0.00 C ATOM 1401 C GLN A 93 4.404 8.971 -6.341 1.00 0.00 C ATOM 1402 O GLN A 93 3.243 9.266 -6.624 1.00 0.00 O ATOM 1403 CB GLN A 93 5.047 6.626 -6.928 1.00 0.00 C ATOM 1404 CG GLN A 93 6.087 7.146 -7.908 1.00 0.00 C ATOM 1405 CD GLN A 93 5.948 6.532 -9.287 1.00 0.00 C ATOM 1406 OE1 GLN A 93 4.990 6.808 -10.009 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.907 5.693 -9.660 1.00 0.00 N ATOM 0 H GLN A 93 2.731 7.191 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 93 5.632 7.687 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.393 5.680 -6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.123 6.418 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.997 8.229 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.084 6.936 -7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.683 5.493 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.868 5.249 -10.577 1.00 0.00 H new ATOM 1416 N SER A 94 5.422 9.811 -6.498 1.00 0.00 N ATOM 1417 CA SER A 94 5.228 11.159 -7.020 1.00 0.00 C ATOM 1418 C SER A 94 6.432 11.600 -7.846 1.00 0.00 C ATOM 1419 O SER A 94 7.489 10.971 -7.806 1.00 0.00 O ATOM 1420 CB SER A 94 4.994 12.143 -5.872 1.00 0.00 C ATOM 1421 OG SER A 94 6.211 12.471 -5.225 1.00 0.00 O ATOM 0 H SER A 94 6.390 9.582 -6.271 1.00 0.00 H new ATOM 0 HA SER A 94 4.350 11.150 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.527 13.050 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.301 11.708 -5.152 1.00 0.00 H new ATOM 0 HG SER A 94 6.085 13.275 -4.679 1.00 0.00 H new ATOM 1427 N GLN A 95 6.263 12.686 -8.593 1.00 0.00 N ATOM 1428 CA GLN A 95 7.335 13.212 -9.430 1.00 0.00 C ATOM 1429 C GLN A 95 8.683 13.094 -8.725 1.00 0.00 C ATOM 1430 O GLN A 95 9.677 12.696 -9.331 1.00 0.00 O ATOM 1431 CB GLN A 95 7.060 14.673 -9.789 1.00 0.00 C ATOM 1432 CG GLN A 95 8.182 15.327 -10.581 1.00 0.00 C ATOM 1433 CD GLN A 95 7.745 16.608 -11.263 1.00 0.00 C ATOM 1434 OE1 GLN A 95 6.615 17.065 -11.086 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.640 17.195 -12.049 1.00 0.00 N ATOM 0 H GLN A 95 5.394 13.219 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 95 7.371 12.621 -10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.138 14.729 -10.367 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.896 15.239 -8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.016 15.542 -9.913 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.548 14.627 -11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.565 16.781 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.403 18.060 -12.535 1.00 0.00 H new ATOM 1444 N GLU A 96 8.707 13.444 -7.443 1.00 0.00 N ATOM 1445 CA GLU A 96 9.934 13.378 -6.657 1.00 0.00 C ATOM 1446 C GLU A 96 10.423 11.938 -6.533 1.00 0.00 C ATOM 1447 O GLU A 96 11.539 11.613 -6.937 1.00 0.00 O ATOM 1448 CB GLU A 96 9.708 13.973 -5.266 1.00 0.00 C ATOM 1449 CG GLU A 96 9.377 15.456 -5.286 1.00 0.00 C ATOM 1450 CD GLU A 96 10.257 16.238 -6.241 1.00 0.00 C ATOM 1451 OE1 GLU A 96 11.392 16.585 -5.854 1.00 0.00 O ATOM 1452 OE2 GLU A 96 9.810 16.503 -7.377 1.00 0.00 O ATOM 0 H GLU A 96 7.892 13.776 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 96 10.698 13.960 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.896 13.434 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.603 13.817 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.333 15.587 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.488 15.863 -4.281 1.00 0.00 H new ATOM 1459 N GLY A 97 9.579 11.079 -5.969 1.00 0.00 N ATOM 1460 CA GLY A 97 9.943 9.684 -5.800 1.00 0.00 C ATOM 1461 C GLY A 97 9.037 8.963 -4.823 1.00 0.00 C ATOM 1462 O GLY A 97 8.119 9.560 -4.260 1.00 0.00 O ATOM 0 H GLY A 97 8.650 11.324 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.903 9.182 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.973 9.620 -5.450 1.00 0.00 H new ATOM 1466 N TRP A 98 9.291 7.675 -4.623 1.00 0.00 N ATOM 1467 CA TRP A 98 8.489 6.870 -3.708 1.00 0.00 C ATOM 1468 C TRP A 98 8.682 7.330 -2.267 1.00 0.00 C ATOM 1469 O TRP A 98 9.796 7.314 -1.744 1.00 0.00 O ATOM 1470 CB TRP A 98 8.858 5.392 -3.839 1.00 0.00 C ATOM 1471 CG TRP A 98 8.491 4.803 -5.167 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.301 4.674 -6.259 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.219 4.266 -5.544 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.610 4.089 -7.292 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.330 3.828 -6.878 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.997 4.109 -4.884 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.265 3.247 -7.562 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.941 3.533 -5.564 1.00 0.00 C ATOM 1479 CH2 TRP A 98 5.081 3.106 -6.891 1.00 0.00 C ATOM 0 H TRP A 98 10.046 7.165 -5.082 1.00 0.00 H new ATOM 0 HA TRP A 98 7.440 6.999 -3.973 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.931 5.278 -3.683 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.359 4.829 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.334 4.986 -6.304 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.988 3.883 -8.217 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.880 4.432 -3.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.370 2.919 -8.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.992 3.410 -5.064 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.238 2.657 -7.394 1.00 0.00 H new ATOM 1490 N GLY A 99 7.589 7.738 -1.629 1.00 0.00 N ATOM 1491 CA GLY A 99 7.661 8.196 -0.254 1.00 0.00 C ATOM 1492 C GLY A 99 7.699 7.050 0.738 1.00 0.00 C ATOM 1493 O GLY A 99 8.565 6.179 0.657 1.00 0.00 O ATOM 0 H GLY A 99 6.656 7.759 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.550 8.813 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.800 8.829 -0.040 1.00 0.00 H new ATOM 1497 N ARG A 100 6.758 7.051 1.677 1.00 0.00 N ATOM 1498 CA ARG A 100 6.690 6.005 2.690 1.00 0.00 C ATOM 1499 C ARG A 100 5.573 5.014 2.374 1.00 0.00 C ATOM 1500 O ARG A 100 4.730 5.269 1.515 1.00 0.00 O ATOM 1501 CB ARG A 100 6.464 6.619 4.073 1.00 0.00 C ATOM 1502 CG ARG A 100 7.723 7.203 4.693 1.00 0.00 C ATOM 1503 CD ARG A 100 8.593 6.120 5.314 1.00 0.00 C ATOM 1504 NE ARG A 100 9.994 6.524 5.397 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.851 6.417 4.388 1.00 0.00 C ATOM 1506 NH1 ARG A 100 10.452 5.921 3.225 1.00 0.00 N ATOM 1507 NH2 ARG A 100 12.110 6.806 4.542 1.00 0.00 N ATOM 0 H ARG A 100 6.033 7.764 1.757 1.00 0.00 H new ATOM 0 HA ARG A 100 7.639 5.470 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.711 7.403 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.062 5.856 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.292 7.736 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.450 7.933 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.223 5.886 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.513 5.208 4.723 1.00 0.00 H new ATOM 0 HE ARG A 100 10.333 6.910 6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.485 5.621 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.112 5.840 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.420 7.187 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.768 6.724 3.767 1.00 0.00 H new ATOM 1521 N GLU A 101 5.576 3.884 3.074 1.00 0.00 N ATOM 1522 CA GLU A 101 4.564 2.855 2.865 1.00 0.00 C ATOM 1523 C GLU A 101 3.985 2.384 4.197 1.00 0.00 C ATOM 1524 O GLU A 101 4.706 2.249 5.186 1.00 0.00 O ATOM 1525 CB GLU A 101 5.161 1.667 2.107 1.00 0.00 C ATOM 1526 CG GLU A 101 6.138 0.847 2.933 1.00 0.00 C ATOM 1527 CD GLU A 101 7.355 1.645 3.359 1.00 0.00 C ATOM 1528 OE1 GLU A 101 8.342 1.673 2.594 1.00 0.00 O ATOM 1529 OE2 GLU A 101 7.320 2.241 4.455 1.00 0.00 O ATOM 0 H GLU A 101 6.267 3.658 3.790 1.00 0.00 H new ATOM 0 HA GLU A 101 3.759 3.288 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.352 1.020 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.670 2.034 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.629 0.467 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.460 -0.019 2.354 1.00 0.00 H new ATOM 1536 N ARG A 102 2.680 2.135 4.213 1.00 0.00 N ATOM 1537 CA ARG A 102 2.003 1.681 5.422 1.00 0.00 C ATOM 1538 C ARG A 102 1.908 0.159 5.452 1.00 0.00 C ATOM 1539 O ARG A 102 1.682 -0.479 4.425 1.00 0.00 O ATOM 1540 CB ARG A 102 0.604 2.292 5.509 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.207 1.791 6.693 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.040 2.695 7.905 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.197 1.963 9.159 1.00 0.00 N ATOM 1544 CZ ARG A 102 0.798 1.328 9.769 1.00 0.00 C ATOM 1545 NH1 ARG A 102 2.015 1.336 9.243 1.00 0.00 N ATOM 1546 NH2 ARG A 102 0.577 0.684 10.908 1.00 0.00 N ATOM 0 H ARG A 102 2.070 2.240 3.402 1.00 0.00 H new ATOM 0 HA ARG A 102 2.589 2.009 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.694 3.376 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.063 2.071 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.261 1.740 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.106 0.778 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.945 3.160 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.774 3.500 7.861 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.121 1.938 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.189 1.830 8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.777 0.848 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.358 0.676 11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.342 0.197 11.375 1.00 0.00 H new ATOM 1560 N GLU A 103 2.084 -0.417 6.638 1.00 0.00 N ATOM 1561 CA GLU A 103 2.019 -1.864 6.801 1.00 0.00 C ATOM 1562 C GLU A 103 0.622 -2.301 7.233 1.00 0.00 C ATOM 1563 O GLU A 103 0.023 -1.707 8.128 1.00 0.00 O ATOM 1564 CB GLU A 103 3.052 -2.331 7.829 1.00 0.00 C ATOM 1565 CG GLU A 103 3.535 -3.753 7.604 1.00 0.00 C ATOM 1566 CD GLU A 103 4.315 -4.298 8.784 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.901 -4.046 9.935 1.00 0.00 O ATOM 1568 OE2 GLU A 103 5.339 -4.976 8.558 1.00 0.00 O ATOM 0 H GLU A 103 2.273 0.097 7.499 1.00 0.00 H new ATOM 0 HA GLU A 103 2.243 -2.322 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.908 -1.657 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.619 -2.257 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.677 -4.398 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.163 -3.783 6.713 1.00 0.00 H new ATOM 1575 N GLY A 104 0.109 -3.345 6.588 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.213 -3.843 6.918 1.00 0.00 C ATOM 1577 C GLY A 104 -1.355 -5.329 6.654 1.00 0.00 C ATOM 1578 O GLY A 104 -1.513 -5.752 5.509 1.00 0.00 O ATOM 0 H GLY A 104 0.585 -3.854 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.422 -3.642 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.958 -3.301 6.336 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.296 -6.125 7.717 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.418 -7.573 7.596 1.00 0.00 C ATOM 1584 C VAL A 105 -2.874 -8.012 7.697 1.00 0.00 C ATOM 1585 O VAL A 105 -3.650 -7.449 8.470 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.598 -8.299 8.679 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.661 -9.805 8.477 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.843 -7.811 8.671 1.00 0.00 C ATOM 0 H VAL A 105 -1.164 -5.791 8.672 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.027 -7.842 6.615 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.030 -8.070 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.076 -10.301 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.697 -10.137 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.255 -10.058 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.409 -8.334 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.289 -8.009 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.865 -6.739 8.869 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.239 -9.021 6.913 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.602 -9.537 6.916 1.00 0.00 C ATOM 1600 C ILE A 106 -4.614 -11.057 7.045 1.00 0.00 C ATOM 1601 O ILE A 106 -3.713 -11.740 6.559 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.359 -9.136 5.637 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.832 -9.535 5.743 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.717 -9.780 4.417 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.656 -8.585 6.585 1.00 0.00 C ATOM 0 H ILE A 106 -2.609 -9.497 6.267 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.104 -9.097 7.778 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.303 -8.053 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.260 -9.585 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.899 -10.536 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.264 -9.487 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.681 -9.451 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.745 -10.865 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.690 -8.930 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.253 -8.553 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.619 -7.587 6.149 1.00 0.00 H new ATOM 1617 N THR A 107 -5.644 -11.581 7.703 1.00 0.00 N ATOM 1618 CA THR A 107 -5.775 -13.020 7.896 1.00 0.00 C ATOM 1619 C THR A 107 -7.023 -13.555 7.205 1.00 0.00 C ATOM 1620 O THR A 107 -8.146 -13.258 7.613 1.00 0.00 O ATOM 1621 CB THR A 107 -5.834 -13.383 9.392 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.628 -12.971 10.045 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.032 -14.880 9.578 1.00 0.00 C ATOM 0 H THR A 107 -6.399 -11.030 8.111 1.00 0.00 H new ATOM 0 HA THR A 107 -4.892 -13.481 7.453 1.00 0.00 H new ATOM 0 HB THR A 107 -6.682 -12.862 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.675 -13.204 10.996 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.071 -15.112 10.642 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.966 -15.185 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.202 -15.417 9.119 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.820 -14.347 6.157 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.930 -14.926 5.411 1.00 0.00 C ATOM 1633 C ILE A 108 -8.782 -15.825 6.301 1.00 0.00 C ATOM 1634 O ILE A 108 -8.348 -16.902 6.707 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.432 -15.741 4.203 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.544 -14.876 3.307 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.610 -16.295 3.415 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.264 -13.686 2.711 1.00 0.00 C ATOM 0 H ILE A 108 -5.897 -14.602 5.806 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.537 -14.094 5.053 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.839 -16.579 4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.692 -14.522 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.147 -15.492 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.241 -16.868 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.206 -16.942 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.228 -15.471 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.574 -13.118 2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.100 -14.033 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.638 -13.048 3.512 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.997 -15.374 6.598 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.910 -16.139 7.439 1.00 0.00 C ATOM 1652 C GLU A 109 -12.149 -16.560 6.654 1.00 0.00 C ATOM 1653 O GLU A 109 -13.005 -15.734 6.336 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.321 -15.317 8.662 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.356 -15.438 9.829 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.491 -14.296 10.818 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.589 -13.134 10.372 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.499 -14.564 12.038 1.00 0.00 O ATOM 0 H GLU A 109 -10.371 -14.484 6.269 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.391 -17.037 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.401 -14.269 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.312 -15.635 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.531 -16.383 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.335 -15.466 9.450 1.00 0.00 H new