USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 50 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.7!) USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-8.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.675 K(o=-0.67,f=0.77) USER MOD Single : A 33 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.087) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -4.57! C(o=-4.6!,f=-13!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.0204 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.28 K(o=-0.28,f=-2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 2.789 12.395 -1.515 1.00 0.00 N ATOM 168 CA ARG A 16 3.826 11.434 -1.872 1.00 0.00 C ATOM 169 C ARG A 16 4.349 10.712 -0.634 1.00 0.00 C ATOM 170 O ARG A 16 4.785 9.563 -0.708 1.00 0.00 O ATOM 171 CB ARG A 16 4.978 12.138 -2.590 1.00 0.00 C ATOM 172 CG ARG A 16 5.809 13.028 -1.681 1.00 0.00 C ATOM 173 CD ARG A 16 5.258 14.445 -1.634 1.00 0.00 C ATOM 174 NE ARG A 16 6.253 15.404 -1.163 1.00 0.00 N ATOM 175 CZ ARG A 16 7.190 15.934 -1.942 1.00 0.00 C ATOM 176 NH1 ARG A 16 7.258 15.600 -3.223 1.00 0.00 N ATOM 177 NH2 ARG A 16 8.060 16.801 -1.440 1.00 0.00 N ATOM 0 HA ARG A 16 3.386 10.696 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.627 11.387 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.574 12.740 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.825 12.609 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.840 13.049 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.918 14.735 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.388 14.474 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 16 6.227 15.682 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.590 14.935 -3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.978 16.008 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.010 17.061 -0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.779 17.207 -2.039 1.00 0.00 H new ATOM 191 N THR A 17 4.302 11.395 0.506 1.00 0.00 N ATOM 192 CA THR A 17 4.773 10.821 1.761 1.00 0.00 C ATOM 193 C THR A 17 3.643 10.112 2.499 1.00 0.00 C ATOM 194 O THR A 17 3.846 9.556 3.577 1.00 0.00 O ATOM 195 CB THR A 17 5.375 11.899 2.681 1.00 0.00 C ATOM 196 OG1 THR A 17 4.515 13.043 2.724 1.00 0.00 O ATOM 197 CG2 THR A 17 6.756 12.314 2.196 1.00 0.00 C ATOM 0 H THR A 17 3.943 12.346 0.586 1.00 0.00 H new ATOM 0 HA THR A 17 5.548 10.098 1.507 1.00 0.00 H new ATOM 0 HB THR A 17 5.470 11.479 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.904 13.723 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.161 13.076 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.416 11.447 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.681 12.717 1.186 1.00 0.00 H new ATOM 205 N ALA A 18 2.451 10.136 1.910 1.00 0.00 N ATOM 206 CA ALA A 18 1.289 9.494 2.512 1.00 0.00 C ATOM 207 C ALA A 18 1.430 7.975 2.491 1.00 0.00 C ATOM 208 O ALA A 18 1.336 7.319 3.530 1.00 0.00 O ATOM 209 CB ALA A 18 0.019 9.918 1.789 1.00 0.00 C ATOM 0 H ALA A 18 2.265 10.593 1.017 1.00 0.00 H new ATOM 0 HA ALA A 18 1.226 9.813 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.841 9.431 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.096 11.000 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.083 9.627 0.740 1.00 0.00 H new ATOM 215 N LEU A 19 1.654 7.422 1.305 1.00 0.00 N ATOM 216 CA LEU A 19 1.807 5.980 1.149 1.00 0.00 C ATOM 217 C LEU A 19 2.773 5.420 2.188 1.00 0.00 C ATOM 218 O LEU A 19 2.726 4.234 2.519 1.00 0.00 O ATOM 219 CB LEU A 19 2.306 5.649 -0.258 1.00 0.00 C ATOM 220 CG LEU A 19 1.830 6.579 -1.375 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.084 5.951 -2.737 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.354 6.907 -1.204 1.00 0.00 C ATOM 0 H LEU A 19 1.734 7.951 0.436 1.00 0.00 H new ATOM 0 HA LEU A 19 0.831 5.518 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.396 5.656 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.996 4.633 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 19 2.397 7.508 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.739 6.627 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.152 5.768 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.544 5.007 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.033 7.570 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.229 5.987 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.200 7.400 -0.244 1.00 0.00 H new ATOM 234 N TYR A 20 3.646 6.279 2.701 1.00 0.00 N ATOM 235 CA TYR A 20 4.623 5.871 3.703 1.00 0.00 C ATOM 236 C TYR A 20 4.059 6.030 5.111 1.00 0.00 C ATOM 237 O TYR A 20 4.372 5.249 6.010 1.00 0.00 O ATOM 238 CB TYR A 20 5.906 6.691 3.560 1.00 0.00 C ATOM 239 CG TYR A 20 6.515 6.626 2.177 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.930 7.289 1.106 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.678 5.901 1.943 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.483 7.231 -0.158 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.239 5.839 0.682 1.00 0.00 C ATOM 244 CZ TYR A 20 7.637 6.505 -0.365 1.00 0.00 C ATOM 245 OH TYR A 20 8.192 6.445 -1.623 1.00 0.00 O ATOM 0 H TYR A 20 3.697 7.263 2.439 1.00 0.00 H new ATOM 0 HA TYR A 20 4.853 4.818 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.692 7.731 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.637 6.336 4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.027 7.860 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.151 5.377 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.014 7.751 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.144 5.272 0.517 1.00 0.00 H new ATOM 0 HH TYR A 20 9.002 5.894 -1.597 1.00 0.00 H new ATOM 255 N ASP A 21 3.224 7.047 5.295 1.00 0.00 N ATOM 256 CA ASP A 21 2.613 7.309 6.593 1.00 0.00 C ATOM 257 C ASP A 21 1.500 6.307 6.883 1.00 0.00 C ATOM 258 O ASP A 21 1.217 5.995 8.040 1.00 0.00 O ATOM 259 CB ASP A 21 2.059 8.734 6.641 1.00 0.00 C ATOM 260 CG ASP A 21 1.319 9.025 7.932 1.00 0.00 C ATOM 261 OD1 ASP A 21 1.982 9.130 8.985 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.077 9.146 7.890 1.00 0.00 O ATOM 0 H ASP A 21 2.955 7.703 4.562 1.00 0.00 H new ATOM 0 HA ASP A 21 3.382 7.200 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.879 9.443 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.386 8.888 5.797 1.00 0.00 H new ATOM 267 N LEU A 22 0.870 5.808 5.825 1.00 0.00 N ATOM 268 CA LEU A 22 -0.214 4.842 5.964 1.00 0.00 C ATOM 269 C LEU A 22 0.297 3.534 6.560 1.00 0.00 C ATOM 270 O LEU A 22 -0.294 2.994 7.497 1.00 0.00 O ATOM 271 CB LEU A 22 -0.865 4.577 4.606 1.00 0.00 C ATOM 272 CG LEU A 22 -1.927 5.584 4.163 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.281 6.765 3.457 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.952 4.915 3.259 1.00 0.00 C ATOM 0 H LEU A 22 1.092 6.057 4.861 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.958 5.262 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.081 4.549 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.320 3.587 4.631 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.441 5.955 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.052 7.471 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.587 7.260 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.740 6.412 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.700 5.647 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.453 4.516 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.438 4.103 3.799 1.00 0.00 H new ATOM 286 N LEU A 23 1.398 3.031 6.014 1.00 0.00 N ATOM 287 CA LEU A 23 1.990 1.786 6.493 1.00 0.00 C ATOM 288 C LEU A 23 2.821 2.027 7.749 1.00 0.00 C ATOM 289 O LEU A 23 2.671 1.327 8.749 1.00 0.00 O ATOM 290 CB LEU A 23 2.861 1.160 5.403 1.00 0.00 C ATOM 291 CG LEU A 23 2.151 0.208 4.440 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.890 0.852 3.885 1.00 0.00 C ATOM 293 CD2 LEU A 23 3.085 -0.203 3.311 1.00 0.00 C ATOM 0 H LEU A 23 1.899 3.466 5.239 1.00 0.00 H new ATOM 0 HA LEU A 23 1.181 1.099 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.313 1.963 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.675 0.618 5.884 1.00 0.00 H new ATOM 0 HG LEU A 23 1.864 -0.688 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.398 0.160 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.214 1.094 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.153 1.765 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.563 -0.881 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.404 0.683 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.958 -0.706 3.726 1.00 0.00 H new ATOM 305 N GLY A 24 3.698 3.025 7.690 1.00 0.00 N ATOM 306 CA GLY A 24 4.538 3.343 8.830 1.00 0.00 C ATOM 307 C GLY A 24 6.010 3.112 8.546 1.00 0.00 C ATOM 308 O GLY A 24 6.796 2.873 9.463 1.00 0.00 O ATOM 0 H GLY A 24 3.842 3.619 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.384 4.385 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.235 2.734 9.682 1.00 0.00 H new ATOM 312 N VAL A 25 6.384 3.182 7.273 1.00 0.00 N ATOM 313 CA VAL A 25 7.771 2.978 6.871 1.00 0.00 C ATOM 314 C VAL A 25 8.383 4.268 6.338 1.00 0.00 C ATOM 315 O VAL A 25 7.696 5.133 5.794 1.00 0.00 O ATOM 316 CB VAL A 25 7.888 1.884 5.794 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.275 0.582 6.286 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.229 2.337 4.500 1.00 0.00 C ATOM 0 H VAL A 25 5.746 3.378 6.502 1.00 0.00 H new ATOM 0 HA VAL A 25 8.315 2.661 7.760 1.00 0.00 H new ATOM 0 HB VAL A 25 8.945 1.708 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.367 -0.179 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.797 0.251 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.221 0.740 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.321 1.551 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.174 2.543 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.719 3.242 4.140 1.00 0.00 H new ATOM 328 N PRO A 26 9.708 4.404 6.497 1.00 0.00 N ATOM 329 CA PRO A 26 10.444 5.585 6.037 1.00 0.00 C ATOM 330 C PRO A 26 10.519 5.666 4.516 1.00 0.00 C ATOM 331 O PRO A 26 10.044 4.774 3.813 1.00 0.00 O ATOM 332 CB PRO A 26 11.841 5.387 6.631 1.00 0.00 C ATOM 333 CG PRO A 26 11.970 3.914 6.810 1.00 0.00 C ATOM 334 CD PRO A 26 10.590 3.413 7.136 1.00 0.00 C ATOM 0 HA PRO A 26 9.961 6.512 6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.613 5.774 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.946 5.912 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.352 3.443 5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.670 3.678 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.422 2.411 6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.425 3.362 8.212 1.00 0.00 H new ATOM 342 N SER A 27 11.118 6.741 4.014 1.00 0.00 N ATOM 343 CA SER A 27 11.252 6.940 2.575 1.00 0.00 C ATOM 344 C SER A 27 12.326 6.023 1.998 1.00 0.00 C ATOM 345 O SER A 27 12.346 5.748 0.798 1.00 0.00 O ATOM 346 CB SER A 27 11.594 8.399 2.270 1.00 0.00 C ATOM 347 OG SER A 27 11.784 8.599 0.880 1.00 0.00 O ATOM 0 H SER A 27 11.518 7.488 4.582 1.00 0.00 H new ATOM 0 HA SER A 27 10.298 6.693 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.793 9.046 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.498 8.684 2.808 1.00 0.00 H new ATOM 0 HG SER A 27 12.000 9.540 0.711 1.00 0.00 H new ATOM 353 N THR A 28 13.220 5.552 2.862 1.00 0.00 N ATOM 354 CA THR A 28 14.299 4.667 2.440 1.00 0.00 C ATOM 355 C THR A 28 14.102 3.259 2.989 1.00 0.00 C ATOM 356 O THR A 28 15.058 2.497 3.129 1.00 0.00 O ATOM 357 CB THR A 28 15.671 5.196 2.897 1.00 0.00 C ATOM 358 OG1 THR A 28 15.780 5.108 4.322 1.00 0.00 O ATOM 359 CG2 THR A 28 15.869 6.639 2.456 1.00 0.00 C ATOM 0 H THR A 28 13.218 5.769 3.859 1.00 0.00 H new ATOM 0 HA THR A 28 14.274 4.636 1.351 1.00 0.00 H new ATOM 0 HB THR A 28 16.445 4.582 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.656 5.445 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.845 6.991 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.815 6.698 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.089 7.263 2.893 1.00 0.00 H new ATOM 367 N ALA A 29 12.855 2.919 3.298 1.00 0.00 N ATOM 368 CA ALA A 29 12.532 1.600 3.830 1.00 0.00 C ATOM 369 C ALA A 29 12.911 0.502 2.842 1.00 0.00 C ATOM 370 O ALA A 29 13.481 0.773 1.784 1.00 0.00 O ATOM 371 CB ALA A 29 11.052 1.517 4.172 1.00 0.00 C ATOM 0 H ALA A 29 12.052 3.538 3.189 1.00 0.00 H new ATOM 0 HA ALA A 29 13.113 1.450 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.825 0.527 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.809 2.272 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.461 1.693 3.273 1.00 0.00 H new ATOM 377 N THR A 30 12.593 -0.740 3.194 1.00 0.00 N ATOM 378 CA THR A 30 12.902 -1.879 2.339 1.00 0.00 C ATOM 379 C THR A 30 11.675 -2.760 2.132 1.00 0.00 C ATOM 380 O THR A 30 10.800 -2.832 2.994 1.00 0.00 O ATOM 381 CB THR A 30 14.039 -2.733 2.930 1.00 0.00 C ATOM 382 OG1 THR A 30 14.348 -3.818 2.048 1.00 0.00 O ATOM 383 CG2 THR A 30 13.652 -3.278 4.297 1.00 0.00 C ATOM 0 H THR A 30 12.122 -0.982 4.065 1.00 0.00 H new ATOM 0 HA THR A 30 13.222 -1.475 1.379 1.00 0.00 H new ATOM 0 HB THR A 30 14.918 -2.098 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.073 -4.355 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.471 -3.878 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.447 -2.449 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.760 -3.898 4.202 1.00 0.00 H new ATOM 391 N GLN A 31 11.619 -3.429 0.985 1.00 0.00 N ATOM 392 CA GLN A 31 10.499 -4.306 0.667 1.00 0.00 C ATOM 393 C GLN A 31 10.067 -5.105 1.892 1.00 0.00 C ATOM 394 O GLN A 31 8.876 -5.242 2.168 1.00 0.00 O ATOM 395 CB GLN A 31 10.875 -5.257 -0.471 1.00 0.00 C ATOM 396 CG GLN A 31 9.713 -6.102 -0.967 1.00 0.00 C ATOM 397 CD GLN A 31 8.776 -5.331 -1.875 1.00 0.00 C ATOM 398 OE1 GLN A 31 7.647 -5.016 -1.498 1.00 0.00 O ATOM 399 NE2 GLN A 31 9.240 -5.022 -3.080 1.00 0.00 N ATOM 0 H GLN A 31 12.336 -3.380 0.261 1.00 0.00 H new ATOM 0 HA GLN A 31 9.663 -3.684 0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.272 -4.675 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.675 -5.916 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.101 -6.968 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.154 -6.481 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.182 -5.303 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.654 -4.504 -3.735 1.00 0.00 H new ATOM 408 N ALA A 32 11.045 -5.631 2.623 1.00 0.00 N ATOM 409 CA ALA A 32 10.766 -6.415 3.820 1.00 0.00 C ATOM 410 C ALA A 32 9.836 -5.663 4.765 1.00 0.00 C ATOM 411 O ALA A 32 8.839 -6.210 5.235 1.00 0.00 O ATOM 412 CB ALA A 32 12.063 -6.776 4.529 1.00 0.00 C ATOM 0 H ALA A 32 12.037 -5.528 2.407 1.00 0.00 H new ATOM 0 HA ALA A 32 10.265 -7.333 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.839 -7.361 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.693 -7.361 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.587 -5.864 4.815 1.00 0.00 H new ATOM 418 N GLN A 33 10.169 -4.406 5.040 1.00 0.00 N ATOM 419 CA GLN A 33 9.364 -3.580 5.931 1.00 0.00 C ATOM 420 C GLN A 33 8.060 -3.164 5.257 1.00 0.00 C ATOM 421 O GLN A 33 6.974 -3.393 5.791 1.00 0.00 O ATOM 422 CB GLN A 33 10.149 -2.338 6.359 1.00 0.00 C ATOM 423 CG GLN A 33 11.407 -2.657 7.150 1.00 0.00 C ATOM 424 CD GLN A 33 12.184 -1.414 7.536 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.618 -0.447 8.046 1.00 0.00 O ATOM 426 NE2 GLN A 33 13.490 -1.433 7.293 1.00 0.00 N ATOM 0 H GLN A 33 10.991 -3.938 4.658 1.00 0.00 H new ATOM 0 HA GLN A 33 9.123 -4.171 6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.423 -1.768 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.503 -1.700 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.135 -3.206 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.047 -3.312 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.918 -2.256 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.065 -0.625 7.531 1.00 0.00 H new ATOM 435 N ILE A 34 8.175 -2.552 4.084 1.00 0.00 N ATOM 436 CA ILE A 34 7.006 -2.105 3.337 1.00 0.00 C ATOM 437 C ILE A 34 5.937 -3.192 3.289 1.00 0.00 C ATOM 438 O ILE A 34 4.740 -2.902 3.295 1.00 0.00 O ATOM 439 CB ILE A 34 7.376 -1.701 1.898 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.134 -0.372 1.898 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.127 -1.605 1.036 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.788 -0.049 0.572 1.00 0.00 C ATOM 0 H ILE A 34 9.067 -2.354 3.630 1.00 0.00 H new ATOM 0 HA ILE A 34 6.613 -1.233 3.859 1.00 0.00 H new ATOM 0 HB ILE A 34 8.025 -2.468 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.444 0.431 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.899 -0.399 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.406 -1.318 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.624 -2.572 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.454 -0.856 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.307 0.907 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.503 -0.832 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.026 0.011 -0.205 1.00 0.00 H new ATOM 454 N LYS A 35 6.376 -4.445 3.242 1.00 0.00 N ATOM 455 CA LYS A 35 5.458 -5.577 3.196 1.00 0.00 C ATOM 456 C LYS A 35 4.916 -5.895 4.586 1.00 0.00 C ATOM 457 O LYS A 35 3.705 -6.004 4.779 1.00 0.00 O ATOM 458 CB LYS A 35 6.162 -6.807 2.618 1.00 0.00 C ATOM 459 CG LYS A 35 5.226 -7.760 1.896 1.00 0.00 C ATOM 460 CD LYS A 35 5.716 -9.196 1.982 1.00 0.00 C ATOM 461 CE LYS A 35 5.177 -9.896 3.219 1.00 0.00 C ATOM 462 NZ LYS A 35 6.050 -11.026 3.642 1.00 0.00 N ATOM 0 H LYS A 35 7.363 -4.703 3.235 1.00 0.00 H new ATOM 0 HA LYS A 35 4.621 -5.308 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.938 -6.479 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.661 -7.343 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.228 -7.689 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.142 -7.466 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.406 -9.741 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.806 -9.209 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.092 -9.178 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.173 -10.269 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.648 -11.477 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.111 -11.724 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.001 -10.667 3.860 1.00 0.00 H new ATOM 476 N ALA A 36 5.819 -6.040 5.550 1.00 0.00 N ATOM 477 CA ALA A 36 5.430 -6.341 6.922 1.00 0.00 C ATOM 478 C ALA A 36 4.388 -5.349 7.427 1.00 0.00 C ATOM 479 O ALA A 36 3.502 -5.706 8.203 1.00 0.00 O ATOM 480 CB ALA A 36 6.651 -6.336 7.830 1.00 0.00 C ATOM 0 H ALA A 36 6.825 -5.954 5.406 1.00 0.00 H new ATOM 0 HA ALA A 36 4.984 -7.335 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.346 -6.562 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.361 -7.089 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.122 -5.353 7.801 1.00 0.00 H new ATOM 486 N ALA A 37 4.502 -4.101 6.984 1.00 0.00 N ATOM 487 CA ALA A 37 3.569 -3.058 7.391 1.00 0.00 C ATOM 488 C ALA A 37 2.168 -3.334 6.855 1.00 0.00 C ATOM 489 O ALA A 37 1.252 -3.646 7.616 1.00 0.00 O ATOM 490 CB ALA A 37 4.059 -1.698 6.917 1.00 0.00 C ATOM 0 H ALA A 37 5.231 -3.788 6.343 1.00 0.00 H new ATOM 0 HA ALA A 37 3.518 -3.055 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.353 -0.928 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.036 -1.491 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.140 -1.699 5.830 1.00 0.00 H new ATOM 496 N TYR A 38 2.009 -3.218 5.541 1.00 0.00 N ATOM 497 CA TYR A 38 0.719 -3.452 4.903 1.00 0.00 C ATOM 498 C TYR A 38 -0.012 -4.616 5.565 1.00 0.00 C ATOM 499 O TYR A 38 -1.181 -4.500 5.936 1.00 0.00 O ATOM 500 CB TYR A 38 0.907 -3.735 3.412 1.00 0.00 C ATOM 501 CG TYR A 38 -0.366 -4.146 2.708 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.341 -3.208 2.390 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.595 -5.472 2.362 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.506 -3.579 1.748 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.757 -5.852 1.718 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.709 -4.902 1.413 1.00 0.00 C ATOM 507 OH TYR A 38 -3.869 -5.276 0.773 1.00 0.00 O ATOM 0 H TYR A 38 2.758 -2.963 4.897 1.00 0.00 H new ATOM 0 HA TYR A 38 0.115 -2.552 5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.307 -2.843 2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.650 -4.524 3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.185 -2.171 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.148 -6.219 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.254 -2.838 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.919 -6.887 1.455 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.855 -6.242 0.608 1.00 0.00 H new ATOM 517 N TYR A 39 0.684 -5.738 5.710 1.00 0.00 N ATOM 518 CA TYR A 39 0.102 -6.925 6.325 1.00 0.00 C ATOM 519 C TYR A 39 -0.596 -6.572 7.635 1.00 0.00 C ATOM 520 O TYR A 39 -1.728 -6.991 7.881 1.00 0.00 O ATOM 521 CB TYR A 39 1.184 -7.976 6.578 1.00 0.00 C ATOM 522 CG TYR A 39 1.383 -8.929 5.421 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.467 -8.461 4.116 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.489 -10.299 5.634 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.649 -9.329 3.056 1.00 0.00 C ATOM 526 CE2 TYR A 39 1.672 -11.173 4.581 1.00 0.00 C ATOM 527 CZ TYR A 39 1.751 -10.684 3.294 1.00 0.00 C ATOM 528 OH TYR A 39 1.933 -11.551 2.241 1.00 0.00 O ATOM 0 H TYR A 39 1.652 -5.850 5.410 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.639 -7.334 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.127 -7.471 6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.922 -8.548 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.389 -7.401 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.427 -10.686 6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.711 -8.949 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.753 -12.234 4.764 1.00 0.00 H new ATOM 0 HH TYR A 39 1.986 -12.469 2.579 1.00 0.00 H new ATOM 538 N ARG A 40 0.086 -5.799 8.473 1.00 0.00 N ATOM 539 CA ARG A 40 -0.467 -5.390 9.758 1.00 0.00 C ATOM 540 C ARG A 40 -1.736 -4.564 9.566 1.00 0.00 C ATOM 541 O ARG A 40 -2.746 -4.799 10.228 1.00 0.00 O ATOM 542 CB ARG A 40 0.565 -4.582 10.548 1.00 0.00 C ATOM 543 CG ARG A 40 1.452 -5.435 11.440 1.00 0.00 C ATOM 544 CD ARG A 40 2.047 -4.618 12.577 1.00 0.00 C ATOM 545 NE ARG A 40 3.205 -5.277 13.176 1.00 0.00 N ATOM 546 CZ ARG A 40 4.426 -5.234 12.655 1.00 0.00 C ATOM 547 NH1 ARG A 40 4.647 -4.567 11.531 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.428 -5.859 13.259 1.00 0.00 N ATOM 0 H ARG A 40 1.023 -5.443 8.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.721 -6.290 10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.192 -4.028 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.045 -3.847 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.871 -6.262 11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.254 -5.873 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.341 -3.637 12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.288 -4.454 13.341 1.00 0.00 H new ATOM 0 HE ARG A 40 3.068 -5.799 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.879 -4.085 11.064 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.586 -4.535 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.261 -6.373 14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.365 -5.826 12.858 1.00 0.00 H new ATOM 562 N GLN A 41 -1.674 -3.597 8.656 1.00 0.00 N ATOM 563 CA GLN A 41 -2.818 -2.736 8.378 1.00 0.00 C ATOM 564 C GLN A 41 -4.062 -3.565 8.076 1.00 0.00 C ATOM 565 O GLN A 41 -5.151 -3.271 8.572 1.00 0.00 O ATOM 566 CB GLN A 41 -2.511 -1.808 7.202 1.00 0.00 C ATOM 567 CG GLN A 41 -1.679 -0.595 7.585 1.00 0.00 C ATOM 568 CD GLN A 41 -0.212 -0.927 7.768 1.00 0.00 C ATOM 569 OE1 GLN A 41 0.483 -1.271 6.812 1.00 0.00 O ATOM 570 NE2 GLN A 41 0.269 -0.826 9.002 1.00 0.00 N ATOM 0 H GLN A 41 -0.845 -3.390 8.099 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.012 -2.134 9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.983 -2.372 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.449 -1.470 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.781 0.169 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.069 -0.169 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.342 -0.537 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.250 -1.037 9.186 1.00 0.00 H new ATOM 579 N CYS A 42 -3.894 -4.600 7.261 1.00 0.00 N ATOM 580 CA CYS A 42 -5.004 -5.471 6.892 1.00 0.00 C ATOM 581 C CYS A 42 -5.809 -5.877 8.122 1.00 0.00 C ATOM 582 O CYS A 42 -7.028 -5.711 8.162 1.00 0.00 O ATOM 583 CB CYS A 42 -4.485 -6.717 6.173 1.00 0.00 C ATOM 584 SG CYS A 42 -5.782 -7.740 5.438 1.00 0.00 S ATOM 0 H CYS A 42 -3.000 -4.857 6.843 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.659 -4.918 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.792 -6.409 5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.918 -7.322 6.881 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.244 -8.768 4.852 1.00 0.00 H new ATOM 590 N PHE A 43 -5.119 -6.411 9.124 1.00 0.00 N ATOM 591 CA PHE A 43 -5.770 -6.844 10.355 1.00 0.00 C ATOM 592 C PHE A 43 -6.357 -5.653 11.108 1.00 0.00 C ATOM 593 O PHE A 43 -7.521 -5.672 11.510 1.00 0.00 O ATOM 594 CB PHE A 43 -4.774 -7.586 11.250 1.00 0.00 C ATOM 595 CG PHE A 43 -5.262 -7.780 12.657 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.315 -6.713 13.539 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.667 -9.030 13.098 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.764 -6.888 14.835 1.00 0.00 C ATOM 599 CE2 PHE A 43 -6.117 -9.211 14.392 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.164 -8.139 15.262 1.00 0.00 C ATOM 0 H PHE A 43 -4.109 -6.554 9.108 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.583 -7.520 10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.559 -8.560 10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.835 -7.032 11.273 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.002 -5.733 13.210 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.630 -9.872 12.423 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.802 -6.048 15.512 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.432 -10.190 14.723 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.513 -8.279 16.274 1.00 0.00 H new ATOM 610 N LEU A 44 -5.544 -4.620 11.294 1.00 0.00 N ATOM 611 CA LEU A 44 -5.981 -3.419 11.998 1.00 0.00 C ATOM 612 C LEU A 44 -7.365 -2.985 11.527 1.00 0.00 C ATOM 613 O LEU A 44 -8.252 -2.716 12.337 1.00 0.00 O ATOM 614 CB LEU A 44 -4.978 -2.285 11.785 1.00 0.00 C ATOM 615 CG LEU A 44 -3.803 -2.235 12.762 1.00 0.00 C ATOM 616 CD1 LEU A 44 -2.602 -1.560 12.118 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.202 -1.511 14.040 1.00 0.00 C ATOM 0 H LEU A 44 -4.578 -4.589 10.967 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.036 -3.651 13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.580 -2.364 10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.514 -1.337 11.844 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.525 -3.257 13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.775 -1.533 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.302 -2.120 11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.867 -0.542 11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.353 -1.485 14.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.507 -0.492 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.032 -2.037 14.512 1.00 0.00 H new ATOM 629 N TYR A 45 -7.543 -2.922 10.212 1.00 0.00 N ATOM 630 CA TYR A 45 -8.820 -2.520 9.633 1.00 0.00 C ATOM 631 C TYR A 45 -9.400 -3.635 8.768 1.00 0.00 C ATOM 632 O TYR A 45 -9.865 -3.394 7.653 1.00 0.00 O ATOM 633 CB TYR A 45 -8.648 -1.250 8.798 1.00 0.00 C ATOM 634 CG TYR A 45 -8.459 -0.001 9.629 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.207 0.349 10.119 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.533 0.831 9.923 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.030 1.489 10.879 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.366 1.973 10.681 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.112 2.298 11.157 1.00 0.00 C ATOM 640 OH TYR A 45 -7.940 3.435 11.913 1.00 0.00 O ATOM 0 H TYR A 45 -6.820 -3.144 9.527 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.513 -2.319 10.450 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.788 -1.372 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.523 -1.123 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.357 -0.281 9.902 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.516 0.580 9.552 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.050 1.745 11.253 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.212 2.608 10.900 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.800 3.893 12.016 1.00 0.00 H new ATOM 650 N HIS A 46 -9.370 -4.857 9.291 1.00 0.00 N ATOM 651 CA HIS A 46 -9.894 -6.011 8.568 1.00 0.00 C ATOM 652 C HIS A 46 -11.404 -5.895 8.382 1.00 0.00 C ATOM 653 O HIS A 46 -12.131 -5.454 9.272 1.00 0.00 O ATOM 654 CB HIS A 46 -9.557 -7.302 9.314 1.00 0.00 C ATOM 655 CG HIS A 46 -9.385 -8.486 8.414 1.00 0.00 C ATOM 656 ND1 HIS A 46 -10.407 -9.364 8.120 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.300 -8.936 7.740 1.00 0.00 C ATOM 658 CE1 HIS A 46 -9.959 -10.302 7.306 1.00 0.00 C ATOM 659 NE2 HIS A 46 -8.683 -10.065 7.059 1.00 0.00 N ATOM 0 H HIS A 46 -8.989 -5.074 10.212 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.426 -6.037 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.640 -7.153 9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -10.349 -7.514 10.032 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.316 -8.490 7.738 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.537 -11.123 6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.080 -10.629 6.460 1.00 0.00 H new ATOM 667 N PRO A 47 -11.888 -6.300 7.198 1.00 0.00 N ATOM 668 CA PRO A 47 -13.315 -6.251 6.868 1.00 0.00 C ATOM 669 C PRO A 47 -14.128 -7.270 7.659 1.00 0.00 C ATOM 670 O PRO A 47 -15.311 -7.061 7.927 1.00 0.00 O ATOM 671 CB PRO A 47 -13.345 -6.587 5.375 1.00 0.00 C ATOM 672 CG PRO A 47 -12.107 -7.382 5.140 1.00 0.00 C ATOM 673 CD PRO A 47 -11.078 -6.837 6.092 1.00 0.00 C ATOM 0 HA PRO A 47 -13.757 -5.285 7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.237 -7.157 5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.356 -5.683 4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.284 -8.442 5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.772 -7.287 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.395 -7.615 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.470 -6.062 5.626 1.00 0.00 H new ATOM 681 N ASP A 48 -13.486 -8.372 8.031 1.00 0.00 N ATOM 682 CA ASP A 48 -14.150 -9.423 8.793 1.00 0.00 C ATOM 683 C ASP A 48 -14.573 -8.913 10.167 1.00 0.00 C ATOM 684 O ASP A 48 -15.686 -9.178 10.623 1.00 0.00 O ATOM 685 CB ASP A 48 -13.226 -10.633 8.947 1.00 0.00 C ATOM 686 CG ASP A 48 -13.713 -11.602 10.006 1.00 0.00 C ATOM 687 OD1 ASP A 48 -14.702 -12.319 9.745 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.104 -11.645 11.095 1.00 0.00 O ATOM 0 H ASP A 48 -12.507 -8.561 7.817 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.043 -9.725 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.149 -11.152 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.224 -10.291 9.205 1.00 0.00 H new ATOM 693 N ARG A 49 -13.678 -8.181 10.823 1.00 0.00 N ATOM 694 CA ARG A 49 -13.958 -7.636 12.146 1.00 0.00 C ATOM 695 C ARG A 49 -14.357 -6.166 12.055 1.00 0.00 C ATOM 696 O ARG A 49 -13.770 -5.312 12.717 1.00 0.00 O ATOM 697 CB ARG A 49 -12.736 -7.789 13.053 1.00 0.00 C ATOM 698 CG ARG A 49 -12.614 -9.166 13.683 1.00 0.00 C ATOM 699 CD ARG A 49 -11.856 -9.111 15.001 1.00 0.00 C ATOM 700 NE ARG A 49 -12.553 -8.303 15.999 1.00 0.00 N ATOM 701 CZ ARG A 49 -12.368 -8.432 17.308 1.00 0.00 C ATOM 702 NH1 ARG A 49 -11.512 -9.331 17.775 1.00 0.00 N ATOM 703 NH2 ARG A 49 -13.039 -7.660 18.153 1.00 0.00 N ATOM 0 H ARG A 49 -12.753 -7.952 10.460 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.791 -8.195 12.573 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.836 -7.583 12.474 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.785 -7.040 13.844 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.608 -9.580 13.851 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.101 -9.838 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.720 -10.123 15.384 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.862 -8.699 14.831 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.218 -7.602 15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.994 -9.926 17.128 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.372 -9.428 18.781 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.697 -6.967 17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.896 -7.760 19.158 1.00 0.00 H new ATOM 717 N ASN A 50 -15.359 -5.880 11.230 1.00 0.00 N ATOM 718 CA ASN A 50 -15.836 -4.514 11.051 1.00 0.00 C ATOM 719 C ASN A 50 -17.117 -4.489 10.222 1.00 0.00 C ATOM 720 O ASN A 50 -17.122 -4.888 9.057 1.00 0.00 O ATOM 721 CB ASN A 50 -14.761 -3.661 10.376 1.00 0.00 C ATOM 722 CG ASN A 50 -13.798 -3.048 11.374 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.155 -2.135 12.118 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.568 -3.549 11.394 1.00 0.00 N ATOM 0 H ASN A 50 -15.856 -6.576 10.675 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.054 -4.100 12.035 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.204 -4.276 9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.239 -2.867 9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.876 -3.177 12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.315 -4.306 10.759 1.00 0.00 H new ATOM 731 N SER A 51 -18.200 -4.016 10.830 1.00 0.00 N ATOM 732 CA SER A 51 -19.487 -3.941 10.149 1.00 0.00 C ATOM 733 C SER A 51 -20.115 -2.561 10.324 1.00 0.00 C ATOM 734 O SER A 51 -20.270 -2.075 11.444 1.00 0.00 O ATOM 735 CB SER A 51 -20.434 -5.016 10.685 1.00 0.00 C ATOM 736 OG SER A 51 -21.496 -5.258 9.778 1.00 0.00 O ATOM 0 H SER A 51 -18.212 -3.679 11.793 1.00 0.00 H new ATOM 0 HA SER A 51 -19.318 -4.112 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.881 -5.939 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.838 -4.702 11.648 1.00 0.00 H new ATOM 0 HG SER A 51 -22.086 -5.950 10.143 1.00 0.00 H new ATOM 742 N GLY A 52 -20.474 -1.935 9.207 1.00 0.00 N ATOM 743 CA GLY A 52 -21.080 -0.618 9.258 1.00 0.00 C ATOM 744 C GLY A 52 -20.050 0.495 9.268 1.00 0.00 C ATOM 745 O GLY A 52 -20.267 1.555 8.681 1.00 0.00 O ATOM 0 H GLY A 52 -20.356 -2.317 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -21.739 -0.491 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.701 -0.542 10.150 1.00 0.00 H new ATOM 749 N SER A 53 -18.928 0.253 9.937 1.00 0.00 N ATOM 750 CA SER A 53 -17.862 1.246 10.025 1.00 0.00 C ATOM 751 C SER A 53 -17.583 1.866 8.660 1.00 0.00 C ATOM 752 O SER A 53 -16.843 1.307 7.851 1.00 0.00 O ATOM 753 CB SER A 53 -16.587 0.607 10.578 1.00 0.00 C ATOM 754 OG SER A 53 -16.566 0.653 11.995 1.00 0.00 O ATOM 0 H SER A 53 -18.733 -0.621 10.426 1.00 0.00 H new ATOM 0 HA SER A 53 -18.188 2.035 10.703 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.521 -0.428 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.715 1.126 10.181 1.00 0.00 H new ATOM 0 HG SER A 53 -15.742 0.237 12.324 1.00 0.00 H new ATOM 760 N ALA A 54 -18.182 3.027 8.411 1.00 0.00 N ATOM 761 CA ALA A 54 -17.997 3.725 7.145 1.00 0.00 C ATOM 762 C ALA A 54 -16.523 4.024 6.893 1.00 0.00 C ATOM 763 O ALA A 54 -15.965 3.624 5.872 1.00 0.00 O ATOM 764 CB ALA A 54 -18.809 5.012 7.129 1.00 0.00 C ATOM 0 H ALA A 54 -18.799 3.503 9.069 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.351 3.075 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.662 5.523 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.866 4.777 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.482 5.659 7.943 1.00 0.00 H new ATOM 770 N GLU A 55 -15.899 4.731 7.831 1.00 0.00 N ATOM 771 CA GLU A 55 -14.489 5.084 7.708 1.00 0.00 C ATOM 772 C GLU A 55 -13.650 3.860 7.353 1.00 0.00 C ATOM 773 O GLU A 55 -12.955 3.844 6.338 1.00 0.00 O ATOM 774 CB GLU A 55 -13.981 5.705 9.011 1.00 0.00 C ATOM 775 CG GLU A 55 -14.352 4.908 10.250 1.00 0.00 C ATOM 776 CD GLU A 55 -14.296 5.739 11.517 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.327 6.346 11.875 1.00 0.00 O ATOM 778 OE2 GLU A 55 -13.221 5.782 12.151 1.00 0.00 O ATOM 0 H GLU A 55 -16.347 5.070 8.683 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.392 5.814 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.896 5.798 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.384 6.714 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.357 4.503 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.676 4.059 10.347 1.00 0.00 H new ATOM 785 N ALA A 56 -13.721 2.837 8.198 1.00 0.00 N ATOM 786 CA ALA A 56 -12.969 1.608 7.974 1.00 0.00 C ATOM 787 C ALA A 56 -12.852 1.300 6.486 1.00 0.00 C ATOM 788 O ALA A 56 -11.776 0.958 5.996 1.00 0.00 O ATOM 789 CB ALA A 56 -13.627 0.447 8.705 1.00 0.00 C ATOM 0 H ALA A 56 -14.291 2.835 9.044 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.963 1.749 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.055 -0.464 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.654 0.658 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.644 0.314 8.336 1.00 0.00 H new ATOM 795 N ALA A 57 -13.966 1.423 5.771 1.00 0.00 N ATOM 796 CA ALA A 57 -13.987 1.159 4.338 1.00 0.00 C ATOM 797 C ALA A 57 -13.059 2.111 3.590 1.00 0.00 C ATOM 798 O ALA A 57 -12.132 1.678 2.907 1.00 0.00 O ATOM 799 CB ALA A 57 -15.406 1.273 3.801 1.00 0.00 C ATOM 0 H ALA A 57 -14.866 1.704 6.161 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.629 0.142 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.407 1.073 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.045 0.548 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.784 2.279 3.983 1.00 0.00 H new ATOM 805 N GLU A 58 -13.316 3.408 3.725 1.00 0.00 N ATOM 806 CA GLU A 58 -12.503 4.420 3.061 1.00 0.00 C ATOM 807 C GLU A 58 -11.017 4.159 3.286 1.00 0.00 C ATOM 808 O GLU A 58 -10.246 4.038 2.334 1.00 0.00 O ATOM 809 CB GLU A 58 -12.870 5.816 3.570 1.00 0.00 C ATOM 810 CG GLU A 58 -14.282 6.244 3.209 1.00 0.00 C ATOM 811 CD GLU A 58 -14.499 6.333 1.711 1.00 0.00 C ATOM 812 OE1 GLU A 58 -14.779 5.286 1.090 1.00 0.00 O ATOM 813 OE2 GLU A 58 -14.390 7.448 1.160 1.00 0.00 O ATOM 0 H GLU A 58 -14.080 3.782 4.288 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.705 4.366 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.758 5.839 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.165 6.539 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.992 5.535 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.491 7.214 3.661 1.00 0.00 H new ATOM 820 N ARG A 59 -10.622 4.073 4.552 1.00 0.00 N ATOM 821 CA ARG A 59 -9.229 3.828 4.903 1.00 0.00 C ATOM 822 C ARG A 59 -8.676 2.633 4.131 1.00 0.00 C ATOM 823 O ARG A 59 -7.693 2.755 3.399 1.00 0.00 O ATOM 824 CB ARG A 59 -9.095 3.582 6.407 1.00 0.00 C ATOM 825 CG ARG A 59 -7.668 3.693 6.918 1.00 0.00 C ATOM 826 CD ARG A 59 -7.237 5.144 7.059 1.00 0.00 C ATOM 827 NE ARG A 59 -5.902 5.265 7.639 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.142 6.347 7.516 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.583 7.397 6.836 1.00 0.00 N ATOM 830 NH2 ARG A 59 -3.939 6.382 8.073 1.00 0.00 N ATOM 0 H ARG A 59 -11.248 4.169 5.352 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.652 4.713 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.720 4.298 6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.479 2.589 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.586 3.193 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.994 3.177 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.252 5.623 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.954 5.676 7.685 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.533 4.475 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.508 7.375 6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.997 8.227 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.596 5.577 8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.357 7.214 7.977 1.00 0.00 H new ATOM 844 N PHE A 60 -9.313 1.480 4.300 1.00 0.00 N ATOM 845 CA PHE A 60 -8.884 0.263 3.620 1.00 0.00 C ATOM 846 C PHE A 60 -8.554 0.544 2.158 1.00 0.00 C ATOM 847 O PHE A 60 -7.475 0.198 1.674 1.00 0.00 O ATOM 848 CB PHE A 60 -9.973 -0.809 3.712 1.00 0.00 C ATOM 849 CG PHE A 60 -9.440 -2.212 3.655 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.602 -2.690 4.650 1.00 0.00 C ATOM 851 CD2 PHE A 60 -9.776 -3.052 2.606 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.110 -3.980 4.601 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.287 -4.344 2.551 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.452 -4.808 3.549 1.00 0.00 C ATOM 0 H PHE A 60 -10.128 1.362 4.902 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.983 -0.101 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.525 -0.676 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.683 -0.665 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.330 -2.046 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.427 -2.694 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.459 -4.341 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.557 -4.990 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.067 -5.816 3.507 1.00 0.00 H new ATOM 864 N THR A 61 -9.491 1.175 1.456 1.00 0.00 N ATOM 865 CA THR A 61 -9.302 1.502 0.049 1.00 0.00 C ATOM 866 C THR A 61 -7.978 2.224 -0.175 1.00 0.00 C ATOM 867 O THR A 61 -7.237 1.908 -1.105 1.00 0.00 O ATOM 868 CB THR A 61 -10.449 2.381 -0.483 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.696 1.687 -0.359 1.00 0.00 O ATOM 870 CG2 THR A 61 -10.214 2.755 -1.939 1.00 0.00 C ATOM 0 H THR A 61 -10.389 1.470 1.840 1.00 0.00 H new ATOM 0 HA THR A 61 -9.295 0.558 -0.496 1.00 0.00 H new ATOM 0 HB THR A 61 -10.482 3.295 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.931 1.603 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.037 3.376 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.279 3.308 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.157 1.849 -2.543 1.00 0.00 H new ATOM 878 N ARG A 62 -7.687 3.196 0.684 1.00 0.00 N ATOM 879 CA ARG A 62 -6.452 3.963 0.580 1.00 0.00 C ATOM 880 C ARG A 62 -5.241 3.092 0.900 1.00 0.00 C ATOM 881 O ARG A 62 -4.319 2.973 0.093 1.00 0.00 O ATOM 882 CB ARG A 62 -6.493 5.166 1.525 1.00 0.00 C ATOM 883 CG ARG A 62 -7.089 6.415 0.896 1.00 0.00 C ATOM 884 CD ARG A 62 -6.608 7.675 1.597 1.00 0.00 C ATOM 885 NE ARG A 62 -5.359 8.175 1.028 1.00 0.00 N ATOM 886 CZ ARG A 62 -5.280 8.783 -0.151 1.00 0.00 C ATOM 887 NH1 ARG A 62 -6.371 8.965 -0.881 1.00 0.00 N ATOM 888 NH2 ARG A 62 -4.107 9.210 -0.601 1.00 0.00 N ATOM 0 H ARG A 62 -8.290 3.471 1.460 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.360 4.318 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.073 4.903 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.480 5.387 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.817 6.458 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.177 6.364 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.375 8.446 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.466 7.468 2.658 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.501 8.051 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.274 8.638 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.307 9.432 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.265 9.072 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.047 9.677 -1.506 1.00 0.00 H new ATOM 902 N ILE A 63 -5.252 2.485 2.082 1.00 0.00 N ATOM 903 CA ILE A 63 -4.155 1.625 2.508 1.00 0.00 C ATOM 904 C ILE A 63 -3.638 0.778 1.349 1.00 0.00 C ATOM 905 O ILE A 63 -2.438 0.744 1.079 1.00 0.00 O ATOM 906 CB ILE A 63 -4.584 0.694 3.657 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.043 1.515 4.864 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.439 -0.231 4.045 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.739 0.693 5.925 1.00 0.00 C ATOM 0 H ILE A 63 -6.008 2.573 2.761 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.358 2.281 2.860 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.420 0.083 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.178 2.008 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.718 2.300 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.758 -0.883 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.153 -0.837 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.585 0.363 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.036 1.340 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.623 0.221 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.060 -0.076 6.294 1.00 0.00 H new ATOM 921 N SER A 64 -4.554 0.098 0.666 1.00 0.00 N ATOM 922 CA SER A 64 -4.191 -0.751 -0.463 1.00 0.00 C ATOM 923 C SER A 64 -3.304 0.006 -1.448 1.00 0.00 C ATOM 924 O SER A 64 -2.293 -0.516 -1.916 1.00 0.00 O ATOM 925 CB SER A 64 -5.448 -1.255 -1.174 1.00 0.00 C ATOM 926 OG SER A 64 -5.138 -1.758 -2.462 1.00 0.00 O ATOM 0 H SER A 64 -5.552 0.119 0.875 1.00 0.00 H new ATOM 0 HA SER A 64 -3.632 -1.605 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.918 -2.037 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.170 -0.443 -1.261 1.00 0.00 H new ATOM 0 HG SER A 64 -5.958 -2.075 -2.895 1.00 0.00 H new ATOM 932 N GLN A 65 -3.693 1.239 -1.757 1.00 0.00 N ATOM 933 CA GLN A 65 -2.934 2.068 -2.687 1.00 0.00 C ATOM 934 C GLN A 65 -1.451 2.065 -2.333 1.00 0.00 C ATOM 935 O GLN A 65 -0.594 1.965 -3.210 1.00 0.00 O ATOM 936 CB GLN A 65 -3.470 3.500 -2.680 1.00 0.00 C ATOM 937 CG GLN A 65 -4.985 3.584 -2.782 1.00 0.00 C ATOM 938 CD GLN A 65 -5.536 2.785 -3.946 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.827 2.504 -4.912 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.808 2.415 -3.860 1.00 0.00 N ATOM 0 H GLN A 65 -4.528 1.686 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.050 1.649 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.148 3.995 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.027 4.049 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.429 3.221 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.281 4.628 -2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.359 2.670 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.234 1.876 -4.614 1.00 0.00 H new ATOM 949 N ALA A 66 -1.156 2.176 -1.042 1.00 0.00 N ATOM 950 CA ALA A 66 0.224 2.185 -0.572 1.00 0.00 C ATOM 951 C ALA A 66 0.947 0.901 -0.966 1.00 0.00 C ATOM 952 O ALA A 66 2.148 0.911 -1.234 1.00 0.00 O ATOM 953 CB ALA A 66 0.267 2.376 0.937 1.00 0.00 C ATOM 0 H ALA A 66 -1.854 2.261 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 66 0.738 3.021 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.304 2.381 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.203 3.324 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.268 1.560 1.422 1.00 0.00 H new ATOM 959 N TYR A 67 0.207 -0.202 -0.998 1.00 0.00 N ATOM 960 CA TYR A 67 0.778 -1.495 -1.356 1.00 0.00 C ATOM 961 C TYR A 67 0.755 -1.701 -2.867 1.00 0.00 C ATOM 962 O TYR A 67 0.805 -2.831 -3.352 1.00 0.00 O ATOM 963 CB TYR A 67 0.012 -2.623 -0.664 1.00 0.00 C ATOM 964 CG TYR A 67 0.768 -3.932 -0.623 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.053 -3.998 -0.098 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.199 -5.102 -1.110 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.748 -5.192 -0.059 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.886 -6.300 -1.074 1.00 0.00 C ATOM 969 CZ TYR A 67 2.160 -6.340 -0.548 1.00 0.00 C ATOM 970 OH TYR A 67 2.848 -7.531 -0.512 1.00 0.00 O ATOM 0 H TYR A 67 -0.789 -0.226 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 67 1.815 -1.511 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.225 -2.318 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.936 -2.777 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.516 -3.101 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.798 -5.075 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.746 -5.226 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.428 -7.200 -1.456 1.00 0.00 H new ATOM 0 HH TYR A 67 2.292 -8.242 -0.894 1.00 0.00 H new ATOM 980 N VAL A 68 0.679 -0.599 -3.607 1.00 0.00 N ATOM 981 CA VAL A 68 0.651 -0.657 -5.064 1.00 0.00 C ATOM 982 C VAL A 68 1.876 0.023 -5.665 1.00 0.00 C ATOM 983 O VAL A 68 2.584 -0.562 -6.485 1.00 0.00 O ATOM 984 CB VAL A 68 -0.620 0.007 -5.627 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.634 -0.071 -7.146 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.864 -0.641 -5.040 1.00 0.00 C ATOM 0 H VAL A 68 0.636 0.344 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 68 0.654 -1.712 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.617 1.059 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.539 0.403 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.240 0.444 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.613 -1.116 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.752 -0.160 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.876 -1.701 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.856 -0.528 -3.956 1.00 0.00 H new ATOM 996 N VAL A 69 2.121 1.262 -5.251 1.00 0.00 N ATOM 997 CA VAL A 69 3.262 2.022 -5.747 1.00 0.00 C ATOM 998 C VAL A 69 4.554 1.580 -5.068 1.00 0.00 C ATOM 999 O VAL A 69 5.618 1.558 -5.689 1.00 0.00 O ATOM 1000 CB VAL A 69 3.069 3.534 -5.523 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.313 4.299 -5.948 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.844 4.031 -6.276 1.00 0.00 C ATOM 0 H VAL A 69 1.545 1.761 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 69 3.332 1.826 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 69 2.909 3.710 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.159 5.365 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.167 3.961 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.507 4.120 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.722 5.101 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.972 3.844 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.959 3.504 -5.919 1.00 0.00 H new ATOM 1012 N LEU A 70 4.454 1.228 -3.791 1.00 0.00 N ATOM 1013 CA LEU A 70 5.615 0.785 -3.027 1.00 0.00 C ATOM 1014 C LEU A 70 5.742 -0.735 -3.062 1.00 0.00 C ATOM 1015 O LEU A 70 6.805 -1.285 -2.779 1.00 0.00 O ATOM 1016 CB LEU A 70 5.510 1.267 -1.579 1.00 0.00 C ATOM 1017 CG LEU A 70 5.300 2.769 -1.384 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.735 3.054 -0.002 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.606 3.521 -1.594 1.00 0.00 C ATOM 0 H LEU A 70 3.581 1.241 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 70 6.506 1.216 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.684 0.740 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.420 0.977 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 70 4.581 3.115 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.592 4.128 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.777 2.546 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.430 2.693 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.438 4.589 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.347 3.171 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.970 3.343 -2.606 1.00 0.00 H new ATOM 1031 N GLY A 71 4.650 -1.407 -3.413 1.00 0.00 N ATOM 1032 CA GLY A 71 4.662 -2.857 -3.480 1.00 0.00 C ATOM 1033 C GLY A 71 5.900 -3.395 -4.169 1.00 0.00 C ATOM 1034 O GLY A 71 6.541 -4.321 -3.673 1.00 0.00 O ATOM 0 H GLY A 71 3.758 -0.974 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.605 -3.265 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.775 -3.200 -4.013 1.00 0.00 H new ATOM 1038 N SER A 72 6.235 -2.816 -5.318 1.00 0.00 N ATOM 1039 CA SER A 72 7.402 -3.247 -6.079 1.00 0.00 C ATOM 1040 C SER A 72 8.544 -2.246 -5.936 1.00 0.00 C ATOM 1041 O SER A 72 8.427 -1.092 -6.346 1.00 0.00 O ATOM 1042 CB SER A 72 7.039 -3.417 -7.555 1.00 0.00 C ATOM 1043 OG SER A 72 6.159 -4.512 -7.742 1.00 0.00 O ATOM 0 H SER A 72 5.715 -2.048 -5.742 1.00 0.00 H new ATOM 0 HA SER A 72 7.732 -4.206 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.572 -2.504 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.946 -3.571 -8.140 1.00 0.00 H new ATOM 0 HG SER A 72 5.941 -4.598 -8.694 1.00 0.00 H new ATOM 1049 N ALA A 73 9.649 -2.698 -5.352 1.00 0.00 N ATOM 1050 CA ALA A 73 10.814 -1.844 -5.156 1.00 0.00 C ATOM 1051 C ALA A 73 10.997 -0.888 -6.330 1.00 0.00 C ATOM 1052 O ALA A 73 11.408 0.259 -6.152 1.00 0.00 O ATOM 1053 CB ALA A 73 12.063 -2.691 -4.963 1.00 0.00 C ATOM 0 H ALA A 73 9.762 -3.651 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 73 10.650 -1.248 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.925 -2.040 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.938 -3.329 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.222 -3.312 -5.845 1.00 0.00 H new ATOM 1059 N THR A 74 10.689 -1.367 -7.531 1.00 0.00 N ATOM 1060 CA THR A 74 10.822 -0.555 -8.734 1.00 0.00 C ATOM 1061 C THR A 74 9.871 0.635 -8.702 1.00 0.00 C ATOM 1062 O THR A 74 10.295 1.778 -8.523 1.00 0.00 O ATOM 1063 CB THR A 74 10.547 -1.384 -10.004 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.396 -2.537 -10.030 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.777 -0.549 -11.255 1.00 0.00 C ATOM 0 H THR A 74 10.346 -2.313 -7.696 1.00 0.00 H new ATOM 0 HA THR A 74 11.850 -0.194 -8.760 1.00 0.00 H new ATOM 0 HB THR A 74 9.505 -1.702 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.214 -3.059 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.577 -1.155 -12.139 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.108 0.312 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.811 -0.205 -11.278 1.00 0.00 H new ATOM 1073 N LEU A 75 8.582 0.362 -8.876 1.00 0.00 N ATOM 1074 CA LEU A 75 7.569 1.412 -8.866 1.00 0.00 C ATOM 1075 C LEU A 75 7.887 2.465 -7.810 1.00 0.00 C ATOM 1076 O LEU A 75 7.631 3.653 -8.006 1.00 0.00 O ATOM 1077 CB LEU A 75 6.187 0.811 -8.605 1.00 0.00 C ATOM 1078 CG LEU A 75 5.775 -0.346 -9.515 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.483 -0.979 -9.022 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.622 0.133 -10.951 1.00 0.00 C ATOM 0 H LEU A 75 8.214 -0.577 -9.026 1.00 0.00 H new ATOM 0 HA LEU A 75 7.570 1.894 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.153 0.464 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.445 1.603 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 75 6.560 -1.102 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.205 -1.801 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.627 -1.359 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.690 -0.232 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.328 -0.704 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.857 0.908 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.571 0.539 -11.302 1.00 0.00 H new ATOM 1092 N ARG A 76 8.449 2.021 -6.690 1.00 0.00 N ATOM 1093 CA ARG A 76 8.803 2.926 -5.602 1.00 0.00 C ATOM 1094 C ARG A 76 9.914 3.880 -6.029 1.00 0.00 C ATOM 1095 O ARG A 76 9.851 5.081 -5.764 1.00 0.00 O ATOM 1096 CB ARG A 76 9.243 2.131 -4.372 1.00 0.00 C ATOM 1097 CG ARG A 76 9.474 2.992 -3.141 1.00 0.00 C ATOM 1098 CD ARG A 76 10.903 3.509 -3.084 1.00 0.00 C ATOM 1099 NE ARG A 76 11.870 2.429 -2.908 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.991 1.726 -1.787 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.210 1.989 -0.748 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.895 0.758 -1.703 1.00 0.00 N ATOM 0 H ARG A 76 8.669 1.041 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 76 7.920 3.514 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.485 1.382 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.162 1.594 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.781 3.834 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.260 2.411 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.129 4.052 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.999 4.219 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 76 12.486 2.202 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.514 2.732 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.305 1.448 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.498 0.553 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.987 0.219 -0.842 1.00 0.00 H new ATOM 1116 N ARG A 77 10.931 3.338 -6.690 1.00 0.00 N ATOM 1117 CA ARG A 77 12.057 4.140 -7.152 1.00 0.00 C ATOM 1118 C ARG A 77 11.617 5.126 -8.231 1.00 0.00 C ATOM 1119 O ARG A 77 12.046 6.280 -8.245 1.00 0.00 O ATOM 1120 CB ARG A 77 13.167 3.237 -7.694 1.00 0.00 C ATOM 1121 CG ARG A 77 13.063 2.975 -9.188 1.00 0.00 C ATOM 1122 CD ARG A 77 13.913 1.784 -9.604 1.00 0.00 C ATOM 1123 NE ARG A 77 13.979 1.641 -11.056 1.00 0.00 N ATOM 1124 CZ ARG A 77 14.762 2.381 -11.833 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.541 3.312 -11.299 1.00 0.00 N ATOM 1126 NH2 ARG A 77 14.767 2.191 -13.146 1.00 0.00 N ATOM 0 H ARG A 77 10.998 2.346 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 77 12.440 4.705 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.133 3.694 -7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.141 2.285 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.022 2.792 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.382 3.861 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.921 1.900 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.501 0.874 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 77 13.391 0.934 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.540 3.461 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.142 3.879 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.169 1.476 -13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.369 2.760 -13.741 1.00 0.00 H new ATOM 1140 N LYS A 78 10.758 4.663 -9.132 1.00 0.00 N ATOM 1141 CA LYS A 78 10.258 5.502 -10.215 1.00 0.00 C ATOM 1142 C LYS A 78 9.628 6.779 -9.667 1.00 0.00 C ATOM 1143 O LYS A 78 10.040 7.885 -10.016 1.00 0.00 O ATOM 1144 CB LYS A 78 9.233 4.734 -11.052 1.00 0.00 C ATOM 1145 CG LYS A 78 9.819 3.542 -11.788 1.00 0.00 C ATOM 1146 CD LYS A 78 8.942 3.119 -12.954 1.00 0.00 C ATOM 1147 CE LYS A 78 9.754 2.438 -14.045 1.00 0.00 C ATOM 1148 NZ LYS A 78 8.900 1.598 -14.930 1.00 0.00 N ATOM 0 H LYS A 78 10.393 3.711 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 78 11.102 5.776 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.430 4.389 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.786 5.414 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.815 3.793 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.934 2.707 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.166 2.440 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.437 3.993 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.264 3.193 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.526 1.817 -13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.491 1.151 -15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.433 0.861 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.179 2.194 -15.385 1.00 0.00 H new ATOM 1162 N TYR A 79 8.629 6.618 -8.806 1.00 0.00 N ATOM 1163 CA TYR A 79 7.942 7.758 -8.210 1.00 0.00 C ATOM 1164 C TYR A 79 8.937 8.715 -7.562 1.00 0.00 C ATOM 1165 O TYR A 79 8.831 9.933 -7.711 1.00 0.00 O ATOM 1166 CB TYR A 79 6.925 7.281 -7.172 1.00 0.00 C ATOM 1167 CG TYR A 79 5.886 8.322 -6.820 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.079 8.885 -7.800 1.00 0.00 C ATOM 1169 CD2 TYR A 79 5.713 8.742 -5.507 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.129 9.837 -7.484 1.00 0.00 C ATOM 1171 CE2 TYR A 79 4.764 9.692 -5.181 1.00 0.00 C ATOM 1172 CZ TYR A 79 3.975 10.237 -6.173 1.00 0.00 C ATOM 1173 OH TYR A 79 3.030 11.184 -5.852 1.00 0.00 O ATOM 0 H TYR A 79 8.277 5.709 -8.505 1.00 0.00 H new ATOM 0 HA TYR A 79 7.418 8.290 -9.004 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.422 6.391 -7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.454 6.987 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.196 8.573 -8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.330 8.319 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.511 10.265 -8.259 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.641 10.006 -4.155 1.00 0.00 H new ATOM 0 HH TYR A 79 3.050 11.352 -4.887 1.00 0.00 H new ATOM 1183 N ASP A 80 9.904 8.156 -6.843 1.00 0.00 N ATOM 1184 CA ASP A 80 10.920 8.959 -6.172 1.00 0.00 C ATOM 1185 C ASP A 80 11.530 9.976 -7.132 1.00 0.00 C ATOM 1186 O ASP A 80 11.818 11.110 -6.749 1.00 0.00 O ATOM 1187 CB ASP A 80 12.016 8.059 -5.600 1.00 0.00 C ATOM 1188 CG ASP A 80 11.701 7.585 -4.195 1.00 0.00 C ATOM 1189 OD1 ASP A 80 11.373 8.435 -3.341 1.00 0.00 O ATOM 1190 OD2 ASP A 80 11.781 6.363 -3.949 1.00 0.00 O ATOM 0 H ASP A 80 10.006 7.150 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 80 10.440 9.499 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.149 7.195 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.961 8.602 -5.594 1.00 0.00 H new ATOM 1195 N ARG A 81 11.723 9.562 -8.380 1.00 0.00 N ATOM 1196 CA ARG A 81 12.301 10.436 -9.394 1.00 0.00 C ATOM 1197 C ARG A 81 11.216 11.004 -10.304 1.00 0.00 C ATOM 1198 O ARG A 81 11.490 11.832 -11.172 1.00 0.00 O ATOM 1199 CB ARG A 81 13.333 9.674 -10.227 1.00 0.00 C ATOM 1200 CG ARG A 81 14.093 8.620 -9.439 1.00 0.00 C ATOM 1201 CD ARG A 81 14.877 9.239 -8.292 1.00 0.00 C ATOM 1202 NE ARG A 81 16.231 9.612 -8.692 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.538 10.779 -9.246 1.00 0.00 C ATOM 1204 NH1 ARG A 81 15.593 11.683 -9.465 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.794 11.045 -9.583 1.00 0.00 N ATOM 0 H ARG A 81 11.488 8.627 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 81 12.795 11.264 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.828 9.195 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.045 10.385 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.393 7.883 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.775 8.090 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.351 10.121 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.926 8.532 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 81 16.982 8.939 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.626 11.483 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.833 12.578 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.524 10.353 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.029 11.942 -10.009 1.00 0.00 H new ATOM 1219 N GLY A 82 9.982 10.551 -10.100 1.00 0.00 N ATOM 1220 CA GLY A 82 8.875 11.024 -10.910 1.00 0.00 C ATOM 1221 C GLY A 82 8.737 10.255 -12.209 1.00 0.00 C ATOM 1222 O GLY A 82 8.007 10.670 -13.110 1.00 0.00 O ATOM 0 H GLY A 82 9.730 9.865 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.950 10.938 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.016 12.082 -11.131 1.00 0.00 H new ATOM 1226 N LEU A 83 9.439 9.132 -12.306 1.00 0.00 N ATOM 1227 CA LEU A 83 9.393 8.303 -13.506 1.00 0.00 C ATOM 1228 C LEU A 83 8.078 7.534 -13.586 1.00 0.00 C ATOM 1229 O LEU A 83 7.752 6.946 -14.619 1.00 0.00 O ATOM 1230 CB LEU A 83 10.570 7.326 -13.520 1.00 0.00 C ATOM 1231 CG LEU A 83 11.963 7.952 -13.454 1.00 0.00 C ATOM 1232 CD1 LEU A 83 12.938 7.014 -12.760 1.00 0.00 C ATOM 1233 CD2 LEU A 83 12.458 8.300 -14.850 1.00 0.00 C ATOM 0 H LEU A 83 10.047 8.774 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 83 9.463 8.959 -14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.460 6.644 -12.677 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.506 6.725 -14.427 1.00 0.00 H new ATOM 0 HG LEU A 83 11.899 8.872 -12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.924 7.477 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.592 6.815 -11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.998 6.077 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.451 8.745 -14.784 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.505 7.395 -15.455 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.773 9.010 -15.312 1.00 0.00 H new ATOM 1245 N LEU A 84 7.325 7.544 -12.492 1.00 0.00 N ATOM 1246 CA LEU A 84 6.043 6.850 -12.439 1.00 0.00 C ATOM 1247 C LEU A 84 4.921 7.737 -12.967 1.00 0.00 C ATOM 1248 O LEU A 84 4.766 8.881 -12.538 1.00 0.00 O ATOM 1249 CB LEU A 84 5.735 6.417 -11.005 1.00 0.00 C ATOM 1250 CG LEU A 84 4.513 5.515 -10.824 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.904 4.052 -10.965 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.859 5.767 -9.473 1.00 0.00 C ATOM 0 H LEU A 84 7.580 8.025 -11.629 1.00 0.00 H new ATOM 0 HA LEU A 84 6.110 5.966 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.607 5.897 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.594 7.312 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 84 3.791 5.753 -11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.022 3.425 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.325 3.882 -11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.645 3.799 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.991 5.117 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.574 5.557 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.542 6.808 -9.411 1.00 0.00 H new ATOM 1264 N SER A 85 4.139 7.202 -13.899 1.00 0.00 N ATOM 1265 CA SER A 85 3.031 7.946 -14.488 1.00 0.00 C ATOM 1266 C SER A 85 1.700 7.503 -13.888 1.00 0.00 C ATOM 1267 O SER A 85 1.516 6.332 -13.555 1.00 0.00 O ATOM 1268 CB SER A 85 3.009 7.753 -16.005 1.00 0.00 C ATOM 1269 OG SER A 85 4.170 8.299 -16.606 1.00 0.00 O ATOM 0 H SER A 85 4.252 6.256 -14.263 1.00 0.00 H new ATOM 0 HA SER A 85 3.176 9.003 -14.266 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.940 6.691 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.122 8.229 -16.422 1.00 0.00 H new ATOM 0 HG SER A 85 4.132 8.161 -17.576 1.00 0.00 H new ATOM 1275 N ASP A 86 0.776 8.447 -13.752 1.00 0.00 N ATOM 1276 CA ASP A 86 -0.539 8.156 -13.194 1.00 0.00 C ATOM 1277 C ASP A 86 -1.124 6.890 -13.812 1.00 0.00 C ATOM 1278 O ASP A 86 -1.952 6.215 -13.201 1.00 0.00 O ATOM 1279 CB ASP A 86 -1.486 9.335 -13.422 1.00 0.00 C ATOM 1280 CG ASP A 86 -1.431 9.854 -14.845 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.004 9.197 -15.739 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -0.815 10.918 -15.065 1.00 0.00 O ATOM 0 H ASP A 86 0.913 9.421 -14.021 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.424 7.995 -12.122 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.506 9.029 -13.189 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.230 10.141 -12.734 1.00 0.00 H new ATOM 1287 N GLU A 87 -0.688 6.576 -15.028 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.171 5.392 -15.729 1.00 0.00 C ATOM 1289 C GLU A 87 -1.125 4.166 -14.822 1.00 0.00 C ATOM 1290 O GLU A 87 -1.951 3.261 -14.941 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.336 5.141 -16.987 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.604 6.137 -18.103 1.00 0.00 C ATOM 1293 CD GLU A 87 0.132 5.790 -19.383 1.00 0.00 C ATOM 1294 OE1 GLU A 87 1.379 5.727 -19.351 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -0.538 5.582 -20.416 1.00 0.00 O ATOM 0 H GLU A 87 -0.002 7.124 -15.547 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.207 5.570 -16.018 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.721 5.178 -16.725 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.539 4.135 -17.353 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.675 6.174 -18.303 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.306 7.133 -17.775 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.152 4.143 -13.918 1.00 0.00 N ATOM 1303 CA ASP A 88 0.003 3.029 -12.990 1.00 0.00 C ATOM 1304 C ASP A 88 -1.190 2.940 -12.043 1.00 0.00 C ATOM 1305 O ASP A 88 -1.682 1.851 -11.746 1.00 0.00 O ATOM 1306 CB ASP A 88 1.296 3.181 -12.188 1.00 0.00 C ATOM 1307 CG ASP A 88 1.575 1.981 -11.304 1.00 0.00 C ATOM 1308 OD1 ASP A 88 0.607 1.406 -10.762 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.759 1.617 -11.155 1.00 0.00 O ATOM 0 H ASP A 88 0.541 4.883 -13.808 1.00 0.00 H new ATOM 0 HA ASP A 88 0.052 2.108 -13.572 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.131 3.325 -12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.233 4.077 -11.570 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.650 4.093 -11.570 1.00 0.00 N ATOM 1315 CA LEU A 89 -2.785 4.147 -10.655 1.00 0.00 C ATOM 1316 C LEU A 89 -4.005 3.461 -11.260 1.00 0.00 C ATOM 1317 O LEU A 89 -4.513 2.481 -10.715 1.00 0.00 O ATOM 1318 CB LEU A 89 -3.120 5.599 -10.311 1.00 0.00 C ATOM 1319 CG LEU A 89 -2.063 6.361 -9.511 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -2.177 7.856 -9.763 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -2.196 6.057 -8.026 1.00 0.00 C ATOM 0 H LEU A 89 -1.254 5.003 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.510 3.619 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.302 6.139 -11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.053 5.612 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.078 6.032 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.417 8.381 -9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.031 8.058 -10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.166 8.202 -9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.436 6.608 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.185 6.357 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.062 4.988 -7.860 1.00 0.00 H new