USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 Single : A 17 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.689) USER MOD Single : A 21 THR OG1 : rot 77:sc= 0.495 USER MOD Single : A 25 TYR OH : rot -178:sc= -1.62 USER MOD Single : A 27 CYS SG : rot 70:sc= 0.698 USER MOD Single : A 29 CYS SG : rot 106:sc= -0.392 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0554) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -141:sc= -1.86 (180deg=-6.07!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-7.9!) USER MOD Single : A 70 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.42) USER MOD Single : A 71 TYR OH : rot 1:sc= 0.166 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 52:sc= 0.268 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.755 27.284 -4.909 1.00 0.00 N ATOM 133 CA VAL A 13 10.194 26.100 -4.180 1.00 0.00 C ATOM 134 C VAL A 13 9.278 25.813 -2.995 1.00 0.00 C ATOM 135 O VAL A 13 9.115 24.663 -2.589 1.00 0.00 O ATOM 136 CB VAL A 13 11.639 26.259 -3.671 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.781 27.534 -2.853 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.053 25.044 -2.854 1.00 0.00 C ATOM 0 HA VAL A 13 10.152 25.264 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 13 12.302 26.333 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.809 27.629 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.529 28.394 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.108 27.494 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.077 25.174 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.386 24.937 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.993 24.150 -3.475 1.00 0.00 H new ATOM 148 N GLU A 14 8.683 26.867 -2.445 1.00 0.00 N ATOM 149 CA GLU A 14 7.785 26.727 -1.306 1.00 0.00 C ATOM 150 C GLU A 14 6.510 25.988 -1.705 1.00 0.00 C ATOM 151 O GLU A 14 6.233 24.895 -1.210 1.00 0.00 O ATOM 152 CB GLU A 14 7.431 28.103 -0.735 1.00 0.00 C ATOM 153 CG GLU A 14 6.890 28.051 0.684 1.00 0.00 C ATOM 154 CD GLU A 14 7.989 27.972 1.726 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.641 26.911 1.819 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.197 28.970 2.447 1.00 0.00 O ATOM 0 H GLU A 14 8.807 27.826 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 14 8.299 26.144 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.319 28.734 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.691 28.576 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.282 28.936 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.234 27.187 0.787 1.00 0.00 H new ATOM 163 N ILE A 15 5.740 26.592 -2.604 1.00 0.00 N ATOM 164 CA ILE A 15 4.496 25.991 -3.071 1.00 0.00 C ATOM 165 C ILE A 15 4.718 24.554 -3.528 1.00 0.00 C ATOM 166 O ILE A 15 3.882 23.681 -3.292 1.00 0.00 O ATOM 167 CB ILE A 15 3.882 26.798 -4.229 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.370 26.572 -4.292 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.536 26.412 -5.548 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.666 27.466 -5.289 1.00 0.00 C ATOM 0 H ILE A 15 5.955 27.497 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 15 3.805 25.998 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 15 4.065 27.858 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.177 25.531 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.944 26.739 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.092 26.991 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.605 26.619 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.380 25.349 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.598 27.251 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.828 28.510 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.064 27.283 -6.287 1.00 0.00 H new ATOM 182 N GLU A 16 5.851 24.314 -4.181 1.00 0.00 N ATOM 183 CA GLU A 16 6.183 22.981 -4.670 1.00 0.00 C ATOM 184 C GLU A 16 6.469 22.031 -3.511 1.00 0.00 C ATOM 185 O GLU A 16 5.979 20.902 -3.481 1.00 0.00 O ATOM 186 CB GLU A 16 7.394 23.042 -5.604 1.00 0.00 C ATOM 187 CG GLU A 16 7.219 24.009 -6.764 1.00 0.00 C ATOM 188 CD GLU A 16 6.613 23.348 -7.987 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.496 22.803 -7.876 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.260 23.375 -9.056 1.00 0.00 O ATOM 0 H GLU A 16 6.554 25.025 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 16 5.324 22.602 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.272 23.333 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.588 22.045 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.583 24.836 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.188 24.434 -7.027 1.00 0.00 H new ATOM 197 N THR A 17 7.268 22.498 -2.554 1.00 0.00 N ATOM 198 CA THR A 17 7.622 21.691 -1.394 1.00 0.00 C ATOM 199 C THR A 17 6.386 21.322 -0.583 1.00 0.00 C ATOM 200 O THR A 17 6.316 20.242 0.006 1.00 0.00 O ATOM 201 CB THR A 17 8.619 22.429 -0.480 1.00 0.00 C ATOM 202 OG1 THR A 17 9.903 22.498 -1.112 1.00 0.00 O ATOM 203 CG2 THR A 17 8.746 21.725 0.862 1.00 0.00 C ATOM 0 H THR A 17 7.681 23.431 -2.561 1.00 0.00 H new ATOM 0 HA THR A 17 8.090 20.782 -1.772 1.00 0.00 H new ATOM 0 HB THR A 17 8.244 23.438 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.909 23.233 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.455 22.264 1.490 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.773 21.699 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.101 20.706 0.706 1.00 0.00 H new ATOM 211 N LEU A 18 5.410 22.224 -0.557 1.00 0.00 N ATOM 212 CA LEU A 18 4.174 21.992 0.182 1.00 0.00 C ATOM 213 C LEU A 18 3.461 20.742 -0.326 1.00 0.00 C ATOM 214 O LEU A 18 3.040 19.894 0.460 1.00 0.00 O ATOM 215 CB LEU A 18 3.249 23.205 0.061 1.00 0.00 C ATOM 216 CG LEU A 18 3.514 24.351 1.037 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.618 25.538 0.721 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.303 23.889 2.471 1.00 0.00 C ATOM 0 H LEU A 18 5.451 23.122 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 18 4.430 21.841 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.324 23.594 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.221 22.868 0.198 1.00 0.00 H new ATOM 0 HG LEU A 18 4.552 24.665 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.820 26.344 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.817 25.884 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.573 25.238 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.496 24.718 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.275 23.548 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.986 23.070 2.694 1.00 0.00 H new ATOM 230 N ARG A 19 3.334 20.635 -1.644 1.00 0.00 N ATOM 231 CA ARG A 19 2.674 19.488 -2.257 1.00 0.00 C ATOM 232 C ARG A 19 3.374 18.189 -1.873 1.00 0.00 C ATOM 233 O ARG A 19 2.729 17.217 -1.476 1.00 0.00 O ATOM 234 CB ARG A 19 2.654 19.638 -3.780 1.00 0.00 C ATOM 235 CG ARG A 19 1.469 20.437 -4.298 1.00 0.00 C ATOM 236 CD ARG A 19 1.799 21.917 -4.406 1.00 0.00 C ATOM 237 NE ARG A 19 0.970 22.592 -5.400 1.00 0.00 N ATOM 238 CZ ARG A 19 1.123 22.439 -6.710 1.00 0.00 C ATOM 239 NH1 ARG A 19 2.068 21.638 -7.182 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.328 23.087 -7.553 1.00 0.00 N ATOM 0 H ARG A 19 3.679 21.328 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 19 1.649 19.451 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.576 20.122 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.640 18.647 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.172 20.057 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.618 20.301 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.659 22.391 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.850 22.036 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 19 0.233 23.215 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.680 21.137 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.183 21.523 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.401 23.703 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.447 22.969 -8.559 1.00 0.00 H new ATOM 254 N LYS A 20 4.698 18.177 -1.991 1.00 0.00 N ATOM 255 CA LYS A 20 5.487 16.999 -1.656 1.00 0.00 C ATOM 256 C LYS A 20 5.191 16.532 -0.234 1.00 0.00 C ATOM 257 O LYS A 20 4.871 15.365 -0.006 1.00 0.00 O ATOM 258 CB LYS A 20 6.979 17.299 -1.805 1.00 0.00 C ATOM 259 CG LYS A 20 7.507 17.077 -3.212 1.00 0.00 C ATOM 260 CD LYS A 20 7.367 18.327 -4.065 1.00 0.00 C ATOM 261 CE LYS A 20 8.415 18.371 -5.165 1.00 0.00 C ATOM 262 NZ LYS A 20 7.978 19.214 -6.314 1.00 0.00 N ATOM 0 H LYS A 20 5.247 18.972 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 20 5.213 16.201 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.164 18.334 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.538 16.670 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.556 16.783 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.965 16.254 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.372 18.357 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.462 19.211 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.349 18.763 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.618 17.359 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.895 18.623 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.055 19.643 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.678 19.965 -6.480 1.00 0.00 H new ATOM 276 N THR A 21 5.297 17.452 0.720 1.00 0.00 N ATOM 277 CA THR A 21 5.041 17.136 2.119 1.00 0.00 C ATOM 278 C THR A 21 3.694 16.443 2.288 1.00 0.00 C ATOM 279 O THR A 21 3.594 15.413 2.955 1.00 0.00 O ATOM 280 CB THR A 21 5.068 18.403 2.996 1.00 0.00 C ATOM 281 OG1 THR A 21 6.267 19.144 2.748 1.00 0.00 O ATOM 282 CG2 THR A 21 4.982 18.041 4.471 1.00 0.00 C ATOM 0 H THR A 21 5.559 18.423 0.548 1.00 0.00 H new ATOM 0 HA THR A 21 5.836 16.463 2.442 1.00 0.00 H new ATOM 0 HB THR A 21 4.204 19.016 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.185 19.623 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.003 18.951 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.053 17.503 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.828 17.409 4.741 1.00 0.00 H new ATOM 290 N VAL A 22 2.660 17.013 1.679 1.00 0.00 N ATOM 291 CA VAL A 22 1.318 16.448 1.760 1.00 0.00 C ATOM 292 C VAL A 22 1.237 15.116 1.023 1.00 0.00 C ATOM 293 O VAL A 22 0.554 14.192 1.465 1.00 0.00 O ATOM 294 CB VAL A 22 0.267 17.411 1.175 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.138 16.884 1.426 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.435 18.803 1.763 1.00 0.00 C ATOM 0 H VAL A 22 2.725 17.866 1.124 1.00 0.00 H new ATOM 0 HA VAL A 22 1.105 16.288 2.817 1.00 0.00 H new ATOM 0 HB VAL A 22 0.418 17.476 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.867 17.577 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.251 15.908 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.305 16.789 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.315 19.470 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.311 18.758 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.430 19.180 1.527 1.00 0.00 H new ATOM 306 N GLU A 23 1.937 15.024 -0.102 1.00 0.00 N ATOM 307 CA GLU A 23 1.945 13.804 -0.901 1.00 0.00 C ATOM 308 C GLU A 23 2.398 12.610 -0.066 1.00 0.00 C ATOM 309 O GLU A 23 1.893 11.499 -0.226 1.00 0.00 O ATOM 310 CB GLU A 23 2.859 13.969 -2.116 1.00 0.00 C ATOM 311 CG GLU A 23 2.156 14.543 -3.334 1.00 0.00 C ATOM 312 CD GLU A 23 3.035 14.542 -4.569 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.227 13.459 -5.159 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.530 15.624 -4.947 1.00 0.00 O ATOM 0 H GLU A 23 2.507 15.780 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 23 0.927 13.619 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.692 14.619 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.283 12.999 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.254 13.965 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.839 15.564 -3.119 1.00 0.00 H new ATOM 321 N ASP A 24 3.354 12.849 0.825 1.00 0.00 N ATOM 322 CA ASP A 24 3.877 11.793 1.686 1.00 0.00 C ATOM 323 C ASP A 24 2.885 11.455 2.794 1.00 0.00 C ATOM 324 O ASP A 24 2.591 10.285 3.042 1.00 0.00 O ATOM 325 CB ASP A 24 5.215 12.218 2.295 1.00 0.00 C ATOM 326 CG ASP A 24 6.134 11.041 2.552 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.857 10.268 3.492 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.131 10.894 1.814 1.00 0.00 O ATOM 0 H ASP A 24 3.782 13.763 0.970 1.00 0.00 H new ATOM 0 HA ASP A 24 4.030 10.903 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.709 12.921 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.033 12.745 3.232 1.00 0.00 H new ATOM 333 N TYR A 25 2.373 12.485 3.457 1.00 0.00 N ATOM 334 CA TYR A 25 1.417 12.297 4.542 1.00 0.00 C ATOM 335 C TYR A 25 0.360 11.264 4.162 1.00 0.00 C ATOM 336 O TYR A 25 0.252 10.209 4.789 1.00 0.00 O ATOM 337 CB TYR A 25 0.745 13.625 4.894 1.00 0.00 C ATOM 338 CG TYR A 25 0.253 13.695 6.322 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.123 13.996 7.363 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.081 13.459 6.631 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.679 14.061 8.669 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.535 13.523 7.934 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.651 13.824 8.950 1.00 0.00 C ATOM 344 OH TYR A 25 -1.099 13.887 10.249 1.00 0.00 O ATOM 0 H TYR A 25 2.604 13.459 3.262 1.00 0.00 H new ATOM 0 HA TYR A 25 1.961 11.931 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.452 14.437 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.097 13.787 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.165 14.182 7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.775 13.221 5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.369 14.296 9.466 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.576 13.339 8.156 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.053 13.664 10.277 1.00 0.00 H new ATOM 354 N PHE A 26 -0.419 11.575 3.131 1.00 0.00 N ATOM 355 CA PHE A 26 -1.468 10.676 2.667 1.00 0.00 C ATOM 356 C PHE A 26 -0.982 9.230 2.659 1.00 0.00 C ATOM 357 O PHE A 26 -1.747 8.304 2.930 1.00 0.00 O ATOM 358 CB PHE A 26 -1.931 11.078 1.265 1.00 0.00 C ATOM 359 CG PHE A 26 -2.653 12.394 1.226 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.609 12.703 2.180 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.377 13.322 0.235 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.276 13.913 2.147 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.040 14.534 0.198 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.992 14.830 1.154 1.00 0.00 C ATOM 0 H PHE A 26 -0.343 12.443 2.601 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.309 10.754 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.065 11.129 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.587 10.301 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.836 11.990 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.636 13.096 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.019 14.141 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.814 15.250 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.513 15.776 1.125 1.00 0.00 H new ATOM 374 N CYS A 27 0.296 9.044 2.346 1.00 0.00 N ATOM 375 CA CYS A 27 0.887 7.712 2.301 1.00 0.00 C ATOM 376 C CYS A 27 1.052 7.142 3.706 1.00 0.00 C ATOM 377 O CYS A 27 0.838 5.951 3.933 1.00 0.00 O ATOM 378 CB CYS A 27 2.242 7.755 1.593 1.00 0.00 C ATOM 379 SG CYS A 27 2.230 8.669 0.033 1.00 0.00 S ATOM 0 H CYS A 27 0.943 9.800 2.120 1.00 0.00 H new ATOM 0 HA CYS A 27 0.214 7.062 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.975 8.207 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.572 6.734 1.401 1.00 0.00 H new ATOM 0 HG CYS A 27 2.075 9.937 0.274 1.00 0.00 H new ATOM 385 N PHE A 28 1.435 8.000 4.645 1.00 0.00 N ATOM 386 CA PHE A 28 1.632 7.582 6.028 1.00 0.00 C ATOM 387 C PHE A 28 0.315 7.128 6.652 1.00 0.00 C ATOM 388 O PHE A 28 0.247 6.072 7.283 1.00 0.00 O ATOM 389 CB PHE A 28 2.230 8.727 6.849 1.00 0.00 C ATOM 390 CG PHE A 28 1.979 8.601 8.325 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.194 7.398 8.978 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.526 9.686 9.059 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.966 7.278 10.335 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.296 9.572 10.417 1.00 0.00 C ATOM 395 CZ PHE A 28 1.515 8.367 11.056 1.00 0.00 C ATOM 0 H PHE A 28 1.615 8.989 4.474 1.00 0.00 H new ATOM 0 HA PHE A 28 2.325 6.741 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.305 8.767 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.815 9.671 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.544 6.543 8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.351 10.630 8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.140 6.335 10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.945 10.425 10.979 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.334 8.276 12.117 1.00 0.00 H new ATOM 405 N CYS A 29 -0.727 7.932 6.470 1.00 0.00 N ATOM 406 CA CYS A 29 -2.041 7.614 7.015 1.00 0.00 C ATOM 407 C CYS A 29 -2.615 6.362 6.357 1.00 0.00 C ATOM 408 O CYS A 29 -3.201 5.510 7.025 1.00 0.00 O ATOM 409 CB CYS A 29 -2.997 8.792 6.819 1.00 0.00 C ATOM 410 SG CYS A 29 -2.426 10.337 7.565 1.00 0.00 S ATOM 0 H CYS A 29 -0.687 8.808 5.949 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.927 7.422 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.147 8.950 5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.967 8.533 7.243 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.006 11.140 6.633 1.00 0.00 H new ATOM 416 N TYR A 30 -2.445 6.261 5.044 1.00 0.00 N ATOM 417 CA TYR A 30 -2.950 5.117 4.294 1.00 0.00 C ATOM 418 C TYR A 30 -2.211 3.840 4.685 1.00 0.00 C ATOM 419 O TYR A 30 -2.828 2.811 4.953 1.00 0.00 O ATOM 420 CB TYR A 30 -2.805 5.362 2.791 1.00 0.00 C ATOM 421 CG TYR A 30 -3.152 4.157 1.946 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.302 3.418 2.194 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.329 3.758 0.899 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.622 2.316 1.424 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.642 2.658 0.123 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.790 1.940 0.390 1.00 0.00 C ATOM 427 OH TYR A 30 -4.105 0.843 -0.379 1.00 0.00 O ATOM 0 H TYR A 30 -1.961 6.957 4.477 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.006 4.994 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.447 6.194 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.779 5.662 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.957 3.710 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.429 4.317 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.519 1.752 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.992 2.362 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.416 0.715 -1.065 1.00 0.00 H new ATOM 437 N GLY A 31 -0.885 3.918 4.719 1.00 0.00 N ATOM 438 CA GLY A 31 -0.082 2.764 5.079 1.00 0.00 C ATOM 439 C GLY A 31 -0.176 2.430 6.555 1.00 0.00 C ATOM 440 O GLY A 31 -0.102 1.264 6.942 1.00 0.00 O ATOM 0 H GLY A 31 -0.352 4.760 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.405 1.903 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.959 2.954 4.818 1.00 0.00 H new ATOM 444 N LYS A 32 -0.338 3.458 7.382 1.00 0.00 N ATOM 445 CA LYS A 32 -0.442 3.270 8.825 1.00 0.00 C ATOM 446 C LYS A 32 -1.707 2.496 9.183 1.00 0.00 C ATOM 447 O LYS A 32 -1.681 1.607 10.034 1.00 0.00 O ATOM 448 CB LYS A 32 -0.440 4.624 9.538 1.00 0.00 C ATOM 449 CG LYS A 32 -1.017 4.573 10.941 1.00 0.00 C ATOM 450 CD LYS A 32 -2.529 4.729 10.930 1.00 0.00 C ATOM 451 CE LYS A 32 -3.031 5.388 12.206 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.022 4.444 13.358 1.00 0.00 N ATOM 0 H LYS A 32 -0.400 4.430 7.078 1.00 0.00 H new ATOM 0 HA LYS A 32 0.422 2.692 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.583 4.997 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.011 5.338 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.752 3.625 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.573 5.363 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.828 5.327 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.996 3.751 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.407 6.251 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.044 5.760 12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.371 4.931 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.637 3.632 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.052 4.109 13.525 1.00 0.00 H new ATOM 466 N ALA A 33 -2.811 2.839 8.527 1.00 0.00 N ATOM 467 CA ALA A 33 -4.083 2.174 8.774 1.00 0.00 C ATOM 468 C ALA A 33 -4.052 0.729 8.286 1.00 0.00 C ATOM 469 O ALA A 33 -4.713 -0.143 8.852 1.00 0.00 O ATOM 470 CB ALA A 33 -5.217 2.936 8.104 1.00 0.00 C ATOM 0 H ALA A 33 -2.849 3.574 7.821 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.255 2.162 9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.161 2.427 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.262 3.949 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.041 2.979 7.029 1.00 0.00 H new ATOM 476 N LEU A 34 -3.282 0.483 7.232 1.00 0.00 N ATOM 477 CA LEU A 34 -3.166 -0.856 6.665 1.00 0.00 C ATOM 478 C LEU A 34 -2.582 -1.829 7.684 1.00 0.00 C ATOM 479 O LEU A 34 -2.967 -2.996 7.734 1.00 0.00 O ATOM 480 CB LEU A 34 -2.291 -0.827 5.411 1.00 0.00 C ATOM 481 CG LEU A 34 -3.019 -0.582 4.089 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.030 -0.217 2.994 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.830 -1.806 3.692 1.00 0.00 C ATOM 0 H LEU A 34 -2.729 1.193 6.753 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.165 -1.197 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.537 -0.050 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.761 -1.777 5.340 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.704 0.255 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.567 -0.046 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.494 0.690 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.319 -1.032 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.341 -1.613 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.165 -2.661 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.566 -2.022 4.466 1.00 0.00 H new ATOM 495 N GLY A 35 -1.650 -1.339 8.497 1.00 0.00 N ATOM 496 CA GLY A 35 -1.030 -2.178 9.505 1.00 0.00 C ATOM 497 C GLY A 35 0.353 -2.647 9.099 1.00 0.00 C ATOM 498 O GLY A 35 0.848 -3.656 9.601 1.00 0.00 O ATOM 0 H GLY A 35 -1.314 -0.376 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.962 -1.625 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.664 -3.045 9.692 1.00 0.00 H new ATOM 502 N LYS A 36 0.979 -1.913 8.185 1.00 0.00 N ATOM 503 CA LYS A 36 2.313 -2.259 7.708 1.00 0.00 C ATOM 504 C LYS A 36 3.383 -1.510 8.496 1.00 0.00 C ATOM 505 O LYS A 36 3.072 -0.723 9.390 1.00 0.00 O ATOM 506 CB LYS A 36 2.444 -1.939 6.217 1.00 0.00 C ATOM 507 CG LYS A 36 1.284 -2.449 5.381 1.00 0.00 C ATOM 508 CD LYS A 36 1.743 -2.907 4.008 1.00 0.00 C ATOM 509 CE LYS A 36 1.945 -1.729 3.067 1.00 0.00 C ATOM 510 NZ LYS A 36 2.648 -2.131 1.818 1.00 0.00 N ATOM 0 H LYS A 36 0.584 -1.074 7.760 1.00 0.00 H new ATOM 0 HA LYS A 36 2.459 -3.329 7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.524 -0.859 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.370 -2.373 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.799 -3.277 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.539 -1.661 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.676 -3.463 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.006 -3.590 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.977 -1.295 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.520 -0.954 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.588 -1.360 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.647 -2.329 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.201 -2.985 1.428 1.00 0.00 H new ATOM 524 N SER A 37 4.644 -1.758 8.157 1.00 0.00 N ATOM 525 CA SER A 37 5.760 -1.108 8.834 1.00 0.00 C ATOM 526 C SER A 37 6.426 -0.082 7.921 1.00 0.00 C ATOM 527 O SER A 37 7.580 0.294 8.128 1.00 0.00 O ATOM 528 CB SER A 37 6.787 -2.149 9.286 1.00 0.00 C ATOM 529 OG SER A 37 7.310 -2.862 8.178 1.00 0.00 O ATOM 0 H SER A 37 4.918 -2.405 7.417 1.00 0.00 H new ATOM 0 HA SER A 37 5.370 -0.590 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.598 -1.656 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.321 -2.845 9.984 1.00 0.00 H new ATOM 0 HG SER A 37 7.965 -3.520 8.492 1.00 0.00 H new ATOM 535 N THR A 38 5.690 0.368 6.910 1.00 0.00 N ATOM 536 CA THR A 38 6.208 1.348 5.965 1.00 0.00 C ATOM 537 C THR A 38 5.075 2.128 5.306 1.00 0.00 C ATOM 538 O THR A 38 3.920 1.704 5.330 1.00 0.00 O ATOM 539 CB THR A 38 7.060 0.678 4.870 1.00 0.00 C ATOM 540 OG1 THR A 38 6.290 -0.324 4.196 1.00 0.00 O ATOM 541 CG2 THR A 38 8.310 0.050 5.467 1.00 0.00 C ATOM 0 H THR A 38 4.733 0.069 6.725 1.00 0.00 H new ATOM 0 HA THR A 38 6.836 2.034 6.534 1.00 0.00 H new ATOM 0 HB THR A 38 7.364 1.443 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.837 -0.744 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.896 -0.417 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.907 0.821 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.024 -0.704 6.200 1.00 0.00 H new ATOM 549 N VAL A 39 5.414 3.271 4.717 1.00 0.00 N ATOM 550 CA VAL A 39 4.425 4.109 4.049 1.00 0.00 C ATOM 551 C VAL A 39 4.034 3.525 2.697 1.00 0.00 C ATOM 552 O VAL A 39 4.797 2.778 2.086 1.00 0.00 O ATOM 553 CB VAL A 39 4.951 5.542 3.844 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.795 6.357 5.120 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.405 5.517 3.394 1.00 0.00 C ATOM 0 H VAL A 39 6.365 3.637 4.689 1.00 0.00 H new ATOM 0 HA VAL A 39 3.548 4.141 4.695 1.00 0.00 H new ATOM 0 HB VAL A 39 4.359 6.018 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.172 7.366 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.741 6.404 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.360 5.885 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.760 6.538 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.012 5.022 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.485 4.973 2.453 1.00 0.00 H new ATOM 565 N VAL A 40 2.837 3.872 2.233 1.00 0.00 N ATOM 566 CA VAL A 40 2.343 3.383 0.951 1.00 0.00 C ATOM 567 C VAL A 40 1.760 4.520 0.118 1.00 0.00 C ATOM 568 O VAL A 40 1.007 5.360 0.609 1.00 0.00 O ATOM 569 CB VAL A 40 1.267 2.298 1.141 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.845 1.724 -0.202 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.776 1.200 2.062 1.00 0.00 C ATOM 0 H VAL A 40 2.192 4.490 2.726 1.00 0.00 H new ATOM 0 HA VAL A 40 3.195 2.951 0.427 1.00 0.00 H new ATOM 0 HB VAL A 40 0.393 2.755 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.084 0.959 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.438 2.520 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.710 1.281 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.003 0.441 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.666 0.744 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.024 1.626 3.034 1.00 0.00 H new ATOM 581 N PRO A 41 2.116 4.547 -1.175 1.00 0.00 N ATOM 582 CA PRO A 41 1.640 5.575 -2.106 1.00 0.00 C ATOM 583 C PRO A 41 0.154 5.431 -2.416 1.00 0.00 C ATOM 584 O PRO A 41 -0.282 4.415 -2.957 1.00 0.00 O ATOM 585 CB PRO A 41 2.475 5.329 -3.364 1.00 0.00 C ATOM 586 CG PRO A 41 2.857 3.891 -3.291 1.00 0.00 C ATOM 587 CD PRO A 41 3.012 3.577 -1.828 1.00 0.00 C ATOM 0 HA PRO A 41 1.749 6.579 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.902 5.541 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.355 5.972 -3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.093 3.261 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.786 3.706 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.724 2.550 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.044 3.697 -1.498 1.00 0.00 H new ATOM 595 N VAL A 42 -0.620 6.455 -2.071 1.00 0.00 N ATOM 596 CA VAL A 42 -2.058 6.443 -2.315 1.00 0.00 C ATOM 597 C VAL A 42 -2.362 6.476 -3.808 1.00 0.00 C ATOM 598 O VAL A 42 -2.023 7.426 -4.515 1.00 0.00 O ATOM 599 CB VAL A 42 -2.752 7.637 -1.634 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.247 7.619 -1.919 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.486 7.625 -0.136 1.00 0.00 C ATOM 0 H VAL A 42 -0.276 7.303 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.444 5.517 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.339 8.558 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.721 8.470 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.413 7.680 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.679 6.694 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.984 8.476 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.870 6.700 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.413 7.690 0.044 1.00 0.00 H new ATOM 611 N PRO A 43 -3.017 5.415 -4.303 1.00 0.00 N ATOM 612 CA PRO A 43 -3.383 5.300 -5.718 1.00 0.00 C ATOM 613 C PRO A 43 -4.477 6.284 -6.115 1.00 0.00 C ATOM 614 O PRO A 43 -5.650 5.920 -6.209 1.00 0.00 O ATOM 615 CB PRO A 43 -3.890 3.860 -5.836 1.00 0.00 C ATOM 616 CG PRO A 43 -4.356 3.509 -4.465 1.00 0.00 C ATOM 617 CD PRO A 43 -3.452 4.247 -3.519 1.00 0.00 C ATOM 0 HA PRO A 43 -2.544 5.527 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.700 3.784 -6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.099 3.188 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.396 3.802 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.301 2.433 -4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.977 4.545 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.606 3.633 -3.210 1.00 0.00 H new ATOM 625 N TYR A 44 -4.087 7.531 -6.350 1.00 0.00 N ATOM 626 CA TYR A 44 -5.035 8.570 -6.737 1.00 0.00 C ATOM 627 C TYR A 44 -5.905 8.106 -7.902 1.00 0.00 C ATOM 628 O TYR A 44 -7.132 8.159 -7.833 1.00 0.00 O ATOM 629 CB TYR A 44 -4.293 9.852 -7.120 1.00 0.00 C ATOM 630 CG TYR A 44 -3.536 10.479 -5.971 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.183 11.292 -5.049 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.174 10.256 -5.807 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.496 11.867 -3.998 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.479 10.827 -4.758 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.144 11.631 -3.857 1.00 0.00 C ATOM 636 OH TYR A 44 -1.456 12.202 -2.810 1.00 0.00 O ATOM 0 H TYR A 44 -3.120 7.848 -6.279 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.680 8.774 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.594 9.630 -7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.010 10.575 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.242 11.478 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.650 9.626 -6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.014 12.498 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.421 10.644 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.514 11.936 -2.854 1.00 0.00 H new ATOM 646 N GLU A 45 -5.258 7.651 -8.971 1.00 0.00 N ATOM 647 CA GLU A 45 -5.973 7.177 -10.151 1.00 0.00 C ATOM 648 C GLU A 45 -7.163 6.310 -9.755 1.00 0.00 C ATOM 649 O GLU A 45 -8.302 6.585 -10.133 1.00 0.00 O ATOM 650 CB GLU A 45 -5.031 6.387 -11.061 1.00 0.00 C ATOM 651 CG GLU A 45 -5.740 5.687 -12.209 1.00 0.00 C ATOM 652 CD GLU A 45 -5.872 6.568 -13.436 1.00 0.00 C ATOM 653 OE1 GLU A 45 -6.275 7.741 -13.283 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.573 6.086 -14.549 1.00 0.00 O ATOM 0 H GLU A 45 -4.242 7.601 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.345 8.047 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.280 7.064 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.501 5.644 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.191 4.783 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.732 5.374 -11.882 1.00 0.00 H new ATOM 661 N LYS A 46 -6.892 5.258 -8.989 1.00 0.00 N ATOM 662 CA LYS A 46 -7.939 4.348 -8.539 1.00 0.00 C ATOM 663 C LYS A 46 -8.904 5.055 -7.594 1.00 0.00 C ATOM 664 O LYS A 46 -10.112 5.083 -7.832 1.00 0.00 O ATOM 665 CB LYS A 46 -7.323 3.133 -7.842 1.00 0.00 C ATOM 666 CG LYS A 46 -6.633 2.171 -8.793 1.00 0.00 C ATOM 667 CD LYS A 46 -5.170 2.530 -8.986 1.00 0.00 C ATOM 668 CE LYS A 46 -4.486 1.581 -9.959 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.050 1.925 -10.153 1.00 0.00 N ATOM 0 H LYS A 46 -5.955 5.015 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.495 4.013 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.602 3.477 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.105 2.599 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.711 1.156 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.142 2.184 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.091 3.552 -9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.657 2.499 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.568 0.559 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.000 1.613 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.620 1.255 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.972 2.891 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.553 1.870 -9.241 1.00 0.00 H new ATOM 683 N MET A 47 -8.365 5.625 -6.521 1.00 0.00 N ATOM 684 CA MET A 47 -9.179 6.334 -5.541 1.00 0.00 C ATOM 685 C MET A 47 -10.099 7.340 -6.226 1.00 0.00 C ATOM 686 O MET A 47 -11.134 7.723 -5.678 1.00 0.00 O ATOM 687 CB MET A 47 -8.287 7.049 -4.526 1.00 0.00 C ATOM 688 CG MET A 47 -7.746 6.132 -3.441 1.00 0.00 C ATOM 689 SD MET A 47 -8.920 5.881 -2.096 1.00 0.00 S ATOM 690 CE MET A 47 -8.641 7.359 -1.122 1.00 0.00 C ATOM 0 H MET A 47 -7.368 5.610 -6.308 1.00 0.00 H new ATOM 0 HA MET A 47 -9.795 5.602 -5.019 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.451 7.510 -5.051 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.854 7.855 -4.060 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.490 5.168 -3.880 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.825 6.554 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.683 7.109 -0.062 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.660 7.771 -1.359 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.410 8.097 -1.352 1.00 0.00 H new ATOM 700 N LEU A 48 -9.715 7.767 -7.424 1.00 0.00 N ATOM 701 CA LEU A 48 -10.505 8.729 -8.183 1.00 0.00 C ATOM 702 C LEU A 48 -11.724 8.060 -8.810 1.00 0.00 C ATOM 703 O LEU A 48 -12.764 8.691 -8.994 1.00 0.00 O ATOM 704 CB LEU A 48 -9.648 9.377 -9.271 1.00 0.00 C ATOM 705 CG LEU A 48 -8.722 10.505 -8.814 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.849 10.979 -9.967 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.531 11.662 -8.246 1.00 0.00 C ATOM 0 H LEU A 48 -8.861 7.462 -7.891 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.851 9.500 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.040 8.601 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.311 9.768 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.073 10.120 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.197 11.782 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.243 10.149 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.482 11.346 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.856 12.456 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.204 12.046 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.113 11.315 -7.392 1.00 0.00 H new ATOM 719 N ARG A 49 -11.587 6.778 -9.134 1.00 0.00 N ATOM 720 CA ARG A 49 -12.678 6.023 -9.740 1.00 0.00 C ATOM 721 C ARG A 49 -13.620 5.478 -8.671 1.00 0.00 C ATOM 722 O ARG A 49 -14.841 5.515 -8.828 1.00 0.00 O ATOM 723 CB ARG A 49 -12.123 4.873 -10.582 1.00 0.00 C ATOM 724 CG ARG A 49 -10.848 5.226 -11.331 1.00 0.00 C ATOM 725 CD ARG A 49 -11.152 5.783 -12.713 1.00 0.00 C ATOM 726 NE ARG A 49 -12.007 6.965 -12.651 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.688 7.435 -13.690 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.614 6.826 -14.866 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.447 8.516 -13.555 1.00 0.00 N ATOM 0 H ARG A 49 -10.732 6.241 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.241 6.698 -10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.928 4.020 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.881 4.561 -11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.279 5.959 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.222 4.339 -11.424 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.218 6.037 -13.215 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.638 5.015 -13.314 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.086 7.457 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.033 5.995 -14.974 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.138 7.189 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.508 8.987 -12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.969 8.876 -14.354 1.00 0.00 H new ATOM 743 N ASP A 50 -13.045 4.970 -7.586 1.00 0.00 N ATOM 744 CA ASP A 50 -13.833 4.416 -6.491 1.00 0.00 C ATOM 745 C ASP A 50 -13.380 4.989 -5.152 1.00 0.00 C ATOM 746 O ASP A 50 -12.440 4.486 -4.538 1.00 0.00 O ATOM 747 CB ASP A 50 -13.719 2.891 -6.472 1.00 0.00 C ATOM 748 CG ASP A 50 -14.805 2.219 -7.289 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.989 2.582 -7.116 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.473 1.332 -8.101 1.00 0.00 O ATOM 0 H ASP A 50 -12.036 4.930 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.875 4.692 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.743 2.598 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.772 2.538 -5.442 1.00 0.00 H new ATOM 755 N GLN A 51 -14.054 6.045 -4.707 1.00 0.00 N ATOM 756 CA GLN A 51 -13.720 6.687 -3.442 1.00 0.00 C ATOM 757 C GLN A 51 -14.341 5.935 -2.269 1.00 0.00 C ATOM 758 O GLN A 51 -14.952 6.538 -1.387 1.00 0.00 O ATOM 759 CB GLN A 51 -14.196 8.140 -3.441 1.00 0.00 C ATOM 760 CG GLN A 51 -13.755 8.925 -4.666 1.00 0.00 C ATOM 761 CD GLN A 51 -14.256 10.356 -4.653 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.211 10.685 -3.950 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.611 11.216 -5.432 1.00 0.00 N ATOM 0 H GLN A 51 -14.835 6.474 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.636 6.668 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.284 8.157 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.820 8.636 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.666 8.926 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.118 8.425 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.824 10.900 -5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.902 12.193 -5.464 1.00 0.00 H new ATOM 772 N SER A 52 -14.179 4.616 -2.266 1.00 0.00 N ATOM 773 CA SER A 52 -14.728 3.781 -1.203 1.00 0.00 C ATOM 774 C SER A 52 -13.637 2.925 -0.567 1.00 0.00 C ATOM 775 O SER A 52 -13.424 2.971 0.644 1.00 0.00 O ATOM 776 CB SER A 52 -15.840 2.885 -1.752 1.00 0.00 C ATOM 777 OG SER A 52 -16.486 3.494 -2.857 1.00 0.00 O ATOM 0 H SER A 52 -13.672 4.102 -2.987 1.00 0.00 H new ATOM 0 HA SER A 52 -15.144 4.436 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.422 1.925 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.569 2.682 -0.967 1.00 0.00 H new ATOM 0 HG SER A 52 -17.191 2.901 -3.191 1.00 0.00 H new ATOM 783 N ALA A 53 -12.949 2.144 -1.393 1.00 0.00 N ATOM 784 CA ALA A 53 -11.879 1.279 -0.914 1.00 0.00 C ATOM 785 C ALA A 53 -11.154 1.908 0.271 1.00 0.00 C ATOM 786 O ALA A 53 -10.737 1.213 1.198 1.00 0.00 O ATOM 787 CB ALA A 53 -10.898 0.980 -2.037 1.00 0.00 C ATOM 0 H ALA A 53 -13.114 2.093 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.325 0.343 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.104 0.333 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.420 0.480 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.465 1.912 -2.400 1.00 0.00 H new ATOM 793 N VAL A 54 -11.005 3.229 0.235 1.00 0.00 N ATOM 794 CA VAL A 54 -10.330 3.952 1.306 1.00 0.00 C ATOM 795 C VAL A 54 -10.891 5.361 1.455 1.00 0.00 C ATOM 796 O VAL A 54 -10.838 6.164 0.523 1.00 0.00 O ATOM 797 CB VAL A 54 -8.813 4.039 1.056 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.098 4.570 2.288 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.261 2.680 0.654 1.00 0.00 C ATOM 0 H VAL A 54 -11.343 3.820 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.507 3.394 2.225 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.637 4.735 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.027 4.624 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.474 5.565 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.279 3.902 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.188 2.760 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.448 1.961 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.752 2.344 -0.259 1.00 0.00 H new ATOM 809 N VAL A 55 -11.429 5.657 2.634 1.00 0.00 N ATOM 810 CA VAL A 55 -11.998 6.972 2.907 1.00 0.00 C ATOM 811 C VAL A 55 -10.988 7.874 3.606 1.00 0.00 C ATOM 812 O VAL A 55 -10.071 7.397 4.274 1.00 0.00 O ATOM 813 CB VAL A 55 -13.264 6.864 3.779 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.964 8.212 3.872 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.203 5.804 3.225 1.00 0.00 C ATOM 0 H VAL A 55 -11.483 5.004 3.416 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.264 7.409 1.944 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.968 6.565 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.856 8.117 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.289 8.943 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.249 8.543 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.092 5.741 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.495 6.071 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.697 4.839 3.215 1.00 0.00 H new ATOM 825 N VAL A 56 -11.163 9.182 3.450 1.00 0.00 N ATOM 826 CA VAL A 56 -10.268 10.153 4.067 1.00 0.00 C ATOM 827 C VAL A 56 -11.045 11.160 4.908 1.00 0.00 C ATOM 828 O VAL A 56 -11.897 11.885 4.395 1.00 0.00 O ATOM 829 CB VAL A 56 -9.445 10.911 3.008 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.280 11.641 3.659 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.953 9.955 1.933 1.00 0.00 C ATOM 0 H VAL A 56 -11.917 9.594 2.901 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.589 9.593 4.711 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.088 11.653 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.710 12.171 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.661 12.356 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.633 10.921 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.373 10.507 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.325 9.188 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.807 9.483 1.447 1.00 0.00 H new ATOM 841 N GLN A 57 -10.743 11.200 6.202 1.00 0.00 N ATOM 842 CA GLN A 57 -11.414 12.118 7.114 1.00 0.00 C ATOM 843 C GLN A 57 -10.449 13.187 7.616 1.00 0.00 C ATOM 844 O GLN A 57 -9.234 13.007 7.581 1.00 0.00 O ATOM 845 CB GLN A 57 -12.007 11.353 8.297 1.00 0.00 C ATOM 846 CG GLN A 57 -13.204 10.491 7.927 1.00 0.00 C ATOM 847 CD GLN A 57 -13.897 9.902 9.139 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.363 9.930 10.248 1.00 0.00 O ATOM 849 NE2 GLN A 57 -15.093 9.362 8.935 1.00 0.00 N ATOM 0 H GLN A 57 -10.039 10.608 6.642 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.220 12.609 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.235 10.719 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.307 12.065 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.917 11.090 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.877 9.683 7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.499 9.360 7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.606 8.949 9.714 1.00 0.00 H new ATOM 858 N GLY A 58 -11.002 14.303 8.084 1.00 0.00 N ATOM 859 CA GLY A 58 -10.176 15.385 8.588 1.00 0.00 C ATOM 860 C GLY A 58 -9.968 16.481 7.562 1.00 0.00 C ATOM 861 O GLY A 58 -9.106 17.344 7.729 1.00 0.00 O ATOM 0 H GLY A 58 -12.006 14.477 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.641 15.808 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.208 14.988 8.892 1.00 0.00 H new ATOM 865 N LEU A 59 -10.758 16.447 6.494 1.00 0.00 N ATOM 866 CA LEU A 59 -10.655 17.445 5.434 1.00 0.00 C ATOM 867 C LEU A 59 -11.489 18.678 5.765 1.00 0.00 C ATOM 868 O LEU A 59 -12.439 18.625 6.546 1.00 0.00 O ATOM 869 CB LEU A 59 -11.113 16.850 4.101 1.00 0.00 C ATOM 870 CG LEU A 59 -10.090 15.980 3.368 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.512 15.763 1.923 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.708 16.613 3.432 1.00 0.00 C ATOM 0 H LEU A 59 -11.476 15.740 6.339 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.611 17.746 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.007 16.252 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.404 17.668 3.442 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.046 15.010 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.772 15.142 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.482 15.266 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.585 16.726 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.993 15.980 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.736 17.597 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.403 16.716 4.473 1.00 0.00 H new ATOM 884 N PRO A 60 -11.126 19.818 5.157 1.00 0.00 N ATOM 885 CA PRO A 60 -11.829 21.086 5.371 1.00 0.00 C ATOM 886 C PRO A 60 -13.224 21.087 4.755 1.00 0.00 C ATOM 887 O PRO A 60 -13.705 20.057 4.285 1.00 0.00 O ATOM 888 CB PRO A 60 -10.934 22.110 4.667 1.00 0.00 C ATOM 889 CG PRO A 60 -10.204 21.327 3.632 1.00 0.00 C ATOM 890 CD PRO A 60 -10.003 19.956 4.215 1.00 0.00 C ATOM 0 HA PRO A 60 -11.986 21.291 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.524 22.908 4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.244 22.580 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.776 21.277 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.248 21.793 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.027 19.185 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.041 19.872 4.721 1.00 0.00 H new ATOM 898 N GLU A 61 -13.869 22.250 4.761 1.00 0.00 N ATOM 899 CA GLU A 61 -15.209 22.383 4.203 1.00 0.00 C ATOM 900 C GLU A 61 -15.149 22.666 2.705 1.00 0.00 C ATOM 901 O GLU A 61 -14.133 23.132 2.190 1.00 0.00 O ATOM 902 CB GLU A 61 -15.974 23.500 4.915 1.00 0.00 C ATOM 903 CG GLU A 61 -17.474 23.456 4.681 1.00 0.00 C ATOM 904 CD GLU A 61 -18.243 24.318 5.663 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.343 23.929 6.846 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.746 25.384 5.248 1.00 0.00 O ATOM 0 H GLU A 61 -13.485 23.113 5.146 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.734 21.440 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.780 23.436 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.590 24.463 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.689 23.788 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.820 22.425 4.759 1.00 0.00 H new ATOM 913 N GLY A 62 -16.247 22.382 2.010 1.00 0.00 N ATOM 914 CA GLY A 62 -16.299 22.612 0.578 1.00 0.00 C ATOM 915 C GLY A 62 -15.101 22.032 -0.146 1.00 0.00 C ATOM 916 O GLY A 62 -14.694 22.536 -1.193 1.00 0.00 O ATOM 0 H GLY A 62 -17.101 21.997 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.211 22.172 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.351 23.684 0.387 1.00 0.00 H new ATOM 920 N VAL A 63 -14.532 20.967 0.412 1.00 0.00 N ATOM 921 CA VAL A 63 -13.372 20.318 -0.186 1.00 0.00 C ATOM 922 C VAL A 63 -13.682 18.872 -0.557 1.00 0.00 C ATOM 923 O VAL A 63 -14.737 18.344 -0.206 1.00 0.00 O ATOM 924 CB VAL A 63 -12.160 20.344 0.764 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.303 19.280 1.841 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.868 20.155 -0.016 1.00 0.00 C ATOM 0 H VAL A 63 -14.856 20.536 1.278 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.128 20.878 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.124 21.318 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.437 19.313 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.209 19.466 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.366 18.297 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.022 20.176 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.892 19.196 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.763 20.958 -0.746 1.00 0.00 H new ATOM 936 N ALA A 64 -12.756 18.237 -1.267 1.00 0.00 N ATOM 937 CA ALA A 64 -12.929 16.850 -1.683 1.00 0.00 C ATOM 938 C ALA A 64 -11.582 16.172 -1.906 1.00 0.00 C ATOM 939 O ALA A 64 -10.786 16.608 -2.739 1.00 0.00 O ATOM 940 CB ALA A 64 -13.774 16.780 -2.945 1.00 0.00 C ATOM 0 H ALA A 64 -11.878 18.661 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.445 16.318 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.895 15.739 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.753 17.218 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.280 17.332 -3.745 1.00 0.00 H new ATOM 946 N PHE A 65 -11.331 15.104 -1.157 1.00 0.00 N ATOM 947 CA PHE A 65 -10.079 14.365 -1.273 1.00 0.00 C ATOM 948 C PHE A 65 -9.591 14.345 -2.718 1.00 0.00 C ATOM 949 O PHE A 65 -10.290 13.874 -3.616 1.00 0.00 O ATOM 950 CB PHE A 65 -10.257 12.934 -0.763 1.00 0.00 C ATOM 951 CG PHE A 65 -9.038 12.076 -0.947 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.914 12.266 -0.158 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.015 11.079 -1.909 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.791 11.479 -0.327 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.895 10.288 -2.082 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.782 10.488 -1.288 1.00 0.00 C ATOM 0 H PHE A 65 -11.978 14.730 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.331 14.870 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.514 12.964 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.097 12.474 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.916 13.038 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.883 10.918 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.921 11.639 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.890 9.515 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.906 9.870 -1.419 1.00 0.00 H new ATOM 966 N LYS A 66 -8.386 14.859 -2.937 1.00 0.00 N ATOM 967 CA LYS A 66 -7.802 14.901 -4.273 1.00 0.00 C ATOM 968 C LYS A 66 -6.316 15.243 -4.207 1.00 0.00 C ATOM 969 O LYS A 66 -5.801 15.611 -3.152 1.00 0.00 O ATOM 970 CB LYS A 66 -8.534 15.926 -5.141 1.00 0.00 C ATOM 971 CG LYS A 66 -8.359 17.359 -4.668 1.00 0.00 C ATOM 972 CD LYS A 66 -8.881 18.352 -5.694 1.00 0.00 C ATOM 973 CE LYS A 66 -10.377 18.576 -5.544 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.834 19.784 -6.284 1.00 0.00 N ATOM 0 H LYS A 66 -7.794 15.253 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.910 13.913 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.174 15.844 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.597 15.684 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.886 17.499 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.304 17.554 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.357 19.301 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.666 17.986 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.914 17.701 -5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.624 18.682 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.859 19.902 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.341 20.623 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.621 19.672 -7.296 1.00 0.00 H new ATOM 988 N HIS A 67 -5.635 15.120 -5.342 1.00 0.00 N ATOM 989 CA HIS A 67 -4.209 15.419 -5.412 1.00 0.00 C ATOM 990 C HIS A 67 -3.871 16.653 -4.582 1.00 0.00 C ATOM 991 O HIS A 67 -4.618 17.630 -4.544 1.00 0.00 O ATOM 992 CB HIS A 67 -3.784 15.635 -6.865 1.00 0.00 C ATOM 993 CG HIS A 67 -2.373 15.217 -7.145 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.321 16.107 -7.199 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.843 13.996 -7.386 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.205 15.450 -7.462 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.495 14.167 -7.579 1.00 0.00 N ATOM 0 H HIS A 67 -6.047 14.816 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.663 14.568 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.456 15.078 -7.518 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.898 16.690 -7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.381 13.060 -7.420 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.777 15.888 -7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.174 13.424 -7.780 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.718 16.608 -3.898 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.254 17.713 -3.054 1.00 0.00 C ATOM 1007 C PRO A 68 -1.836 18.931 -3.872 1.00 0.00 C ATOM 1008 O PRO A 68 -1.586 20.003 -3.322 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.048 17.120 -2.323 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.557 16.035 -3.219 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.777 15.475 -3.895 1.00 0.00 C ATOM 0 HA PRO A 68 -3.038 18.073 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.278 17.873 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.331 16.729 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.151 16.423 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.037 15.264 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.555 15.135 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.180 14.620 -3.352 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.761 18.756 -5.188 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.372 19.841 -6.080 1.00 0.00 C ATOM 1021 C GLU A 69 -2.596 20.613 -6.566 1.00 0.00 C ATOM 1022 O GLU A 69 -2.480 21.730 -7.067 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.594 19.293 -7.279 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.478 18.904 -8.452 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.833 20.088 -9.331 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -1.007 21.019 -9.435 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.938 20.084 -9.914 1.00 0.00 O ATOM 0 H GLU A 69 -1.964 17.874 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.732 20.523 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.124 20.044 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.021 18.422 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.968 18.150 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.394 18.447 -8.077 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.769 20.006 -6.413 1.00 0.00 N ATOM 1035 CA ASN A 70 -5.015 20.635 -6.836 1.00 0.00 C ATOM 1036 C ASN A 70 -5.526 21.600 -5.771 1.00 0.00 C ATOM 1037 O ASN A 70 -6.414 22.413 -6.030 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.075 19.569 -7.127 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.837 18.862 -8.446 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.679 19.500 -9.487 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.809 17.534 -8.409 1.00 0.00 N ATOM 0 H ASN A 70 -3.882 19.080 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.818 21.200 -7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.080 18.836 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.060 20.035 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.652 17.003 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.945 17.045 -7.524 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.961 21.504 -4.574 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.360 22.367 -3.468 1.00 0.00 C ATOM 1050 C TYR A 71 -4.568 23.672 -3.481 1.00 0.00 C ATOM 1051 O TYR A 71 -3.340 23.666 -3.408 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.158 21.648 -2.133 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.054 20.444 -1.952 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.390 20.484 -2.331 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.564 19.266 -1.403 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.212 19.386 -2.167 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.378 18.162 -1.237 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.701 18.228 -1.620 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.517 17.132 -1.456 1.00 0.00 O ATOM 0 H TYR A 71 -4.225 20.837 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.417 22.604 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.118 21.331 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.340 22.351 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.793 21.389 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.529 19.212 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.249 19.434 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.981 17.253 -0.810 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.415 17.339 -1.790 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.281 24.788 -3.576 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.648 26.101 -3.597 1.00 0.00 C ATOM 1071 C ASP A 72 -3.620 26.227 -2.476 1.00 0.00 C ATOM 1072 O ASP A 72 -3.782 25.644 -1.402 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.701 27.202 -3.465 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.002 26.843 -4.157 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.683 25.906 -3.692 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.339 27.501 -5.165 1.00 0.00 O ATOM 0 H ASP A 72 -6.299 24.810 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.134 26.213 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.894 27.391 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.310 28.127 -3.889 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.564 26.990 -2.732 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.509 27.191 -1.745 1.00 0.00 C ATOM 1083 C LEU A 73 -2.095 27.351 -0.346 1.00 0.00 C ATOM 1084 O LEU A 73 -1.650 26.704 0.602 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.675 28.423 -2.104 1.00 0.00 C ATOM 1086 CG LEU A 73 0.406 28.820 -1.098 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.128 27.586 -0.577 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.392 29.791 -1.729 1.00 0.00 C ATOM 0 H LEU A 73 -2.415 27.480 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.867 26.310 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.198 28.245 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.350 29.269 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.074 29.318 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.894 27.887 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.413 26.926 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.595 27.059 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.154 30.062 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.866 29.320 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.863 30.688 -2.052 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.097 28.215 -0.225 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.748 28.456 1.057 1.00 0.00 C ATOM 1102 C ALA A 74 -4.309 27.164 1.640 1.00 0.00 C ATOM 1103 O ALA A 74 -4.150 26.885 2.829 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.852 29.491 0.903 1.00 0.00 C ATOM 0 H ALA A 74 -3.476 28.760 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.999 28.841 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.329 29.661 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.426 30.426 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.593 29.129 0.191 1.00 0.00 H new ATOM 1110 N THR A 75 -4.968 26.376 0.794 1.00 0.00 N ATOM 1111 CA THR A 75 -5.555 25.114 1.225 1.00 0.00 C ATOM 1112 C THR A 75 -4.481 24.140 1.694 1.00 0.00 C ATOM 1113 O THR A 75 -4.507 23.672 2.834 1.00 0.00 O ATOM 1114 CB THR A 75 -6.369 24.458 0.095 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.368 25.366 -0.382 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.031 23.176 0.578 1.00 0.00 C ATOM 0 H THR A 75 -5.108 26.591 -0.193 1.00 0.00 H new ATOM 0 HA THR A 75 -6.222 25.343 2.056 1.00 0.00 H new ATOM 0 HB THR A 75 -5.686 24.212 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.880 24.941 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.600 22.731 -0.238 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.266 22.475 0.912 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.702 23.403 1.407 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.536 23.838 0.811 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.451 22.918 1.135 1.00 0.00 C ATOM 1126 C LEU A 76 -1.962 23.135 2.564 1.00 0.00 C ATOM 1127 O LEU A 76 -1.803 22.183 3.328 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.291 23.102 0.155 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.383 22.309 -1.149 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.333 22.788 -2.141 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.225 20.819 -0.880 1.00 0.00 C ATOM 0 H LEU A 76 -3.499 24.217 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.833 21.901 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.214 24.161 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.366 22.825 0.661 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.368 22.477 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.414 22.212 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.492 23.844 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.660 22.651 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.293 20.270 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.254 20.633 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.015 20.485 -0.207 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.730 24.394 2.921 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.263 24.737 4.259 1.00 0.00 C ATOM 1145 C LYS A 77 -2.202 24.176 5.322 1.00 0.00 C ATOM 1146 O LYS A 77 -1.757 23.581 6.304 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.155 26.256 4.409 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.159 26.892 3.454 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.237 28.409 3.496 1.00 0.00 C ATOM 1150 CE LYS A 77 1.065 29.048 3.039 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.245 30.411 3.611 1.00 0.00 N ATOM 0 H LYS A 77 -1.858 25.194 2.302 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.277 24.293 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.137 26.700 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.865 26.492 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.850 26.571 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.354 26.545 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.054 28.750 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.466 28.734 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.903 28.417 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.078 29.106 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.144 30.812 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.459 31.021 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.258 30.353 4.649 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.501 24.368 5.120 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.501 23.879 6.061 1.00 0.00 C ATOM 1167 C TRP A 78 -4.332 22.385 6.307 1.00 0.00 C ATOM 1168 O TRP A 78 -4.129 21.952 7.443 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.909 24.167 5.537 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.984 23.900 6.545 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.585 24.811 7.364 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.586 22.634 6.840 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.523 24.189 8.152 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.544 22.854 7.849 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.410 21.337 6.350 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.320 21.825 8.375 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.180 20.317 6.873 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.127 20.565 7.877 1.00 0.00 C ATOM 0 H TRP A 78 -3.886 24.859 4.313 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.360 24.402 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.966 25.209 5.223 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.091 23.557 4.652 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.357 25.866 7.389 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.109 24.648 8.850 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.684 21.136 5.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.049 22.014 9.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.051 19.311 6.502 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.715 19.746 8.265 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.419 21.599 5.239 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.275 20.153 5.340 1.00 0.00 C ATOM 1191 C ILE A 79 -3.145 19.778 6.292 1.00 0.00 C ATOM 1192 O ILE A 79 -3.343 19.010 7.235 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.003 19.517 3.964 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.114 19.885 2.978 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.881 18.006 4.094 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.941 19.261 1.611 1.00 0.00 C ATOM 0 H ILE A 79 -4.589 21.940 4.293 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.218 19.769 5.729 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.060 19.906 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.073 19.574 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.150 20.969 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.689 17.571 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.058 17.764 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.809 17.599 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.765 19.565 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.998 19.592 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.936 18.175 1.705 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.962 20.327 6.043 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.799 20.053 6.880 1.00 0.00 C ATOM 1210 C LEU A 80 -1.044 20.505 8.316 1.00 0.00 C ATOM 1211 O LEU A 80 -0.665 19.819 9.266 1.00 0.00 O ATOM 1212 CB LEU A 80 0.438 20.755 6.317 1.00 0.00 C ATOM 1213 CG LEU A 80 1.231 19.976 5.267 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.299 20.860 4.641 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.859 18.735 5.885 1.00 0.00 C ATOM 0 H LEU A 80 -1.782 20.965 5.268 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.629 18.976 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.125 21.703 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.105 20.992 7.146 1.00 0.00 H new ATOM 0 HG LEU A 80 0.544 19.659 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.853 20.289 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.827 21.718 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.983 21.207 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.419 18.193 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.532 19.030 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.075 18.092 6.285 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.680 21.662 8.468 1.00 0.00 N ATOM 1228 CA GLU A 81 -1.977 22.204 9.788 1.00 0.00 C ATOM 1229 C GLU A 81 -2.842 21.237 10.591 1.00 0.00 C ATOM 1230 O GLU A 81 -2.484 20.840 11.700 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.683 23.554 9.664 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.734 24.740 9.660 1.00 0.00 C ATOM 1233 CD GLU A 81 -0.426 24.438 8.955 1.00 0.00 C ATOM 1234 OE1 GLU A 81 0.444 23.789 9.573 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -0.272 24.851 7.787 1.00 0.00 O ATOM 0 H GLU A 81 -2.000 22.242 7.692 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.033 22.344 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.268 23.565 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.385 23.664 10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.218 25.586 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.528 25.039 10.688 1.00 0.00 H new ATOM 1242 N ASN A 82 -3.984 20.862 10.024 1.00 0.00 N ATOM 1243 CA ASN A 82 -4.901 19.942 10.686 1.00 0.00 C ATOM 1244 C ASN A 82 -4.708 18.518 10.176 1.00 0.00 C ATOM 1245 O ASN A 82 -5.665 17.753 10.059 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.349 20.384 10.462 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.668 21.695 11.154 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.245 21.711 12.241 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.292 22.802 10.526 1.00 0.00 N ATOM 0 H ASN A 82 -4.296 21.181 9.107 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.683 19.958 11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.533 20.487 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.023 19.610 10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.479 23.714 10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.816 22.741 9.626 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.462 18.168 9.873 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.140 16.835 9.376 1.00 0.00 C ATOM 1258 C LYS A 83 -3.121 15.821 10.516 1.00 0.00 C ATOM 1259 O LYS A 83 -3.741 14.761 10.426 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.784 16.847 8.668 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.603 16.975 9.614 1.00 0.00 C ATOM 1262 CD LYS A 83 0.687 17.248 8.861 1.00 0.00 C ATOM 1263 CE LYS A 83 1.899 17.140 9.774 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.168 17.421 9.048 1.00 0.00 N ATOM 0 H LYS A 83 -2.658 18.789 9.963 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.912 16.542 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.678 15.929 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.762 17.674 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.789 17.782 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.500 16.058 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.786 16.540 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.649 18.245 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.792 17.840 10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.941 16.140 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.970 17.337 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.283 16.738 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.139 18.385 8.659 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.407 16.153 11.586 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.310 15.271 12.744 1.00 0.00 C ATOM 1280 C ALA A 84 -3.646 14.593 13.029 1.00 0.00 C ATOM 1281 O ALA A 84 -3.691 13.506 13.603 1.00 0.00 O ATOM 1282 CB ALA A 84 -1.840 16.051 13.962 1.00 0.00 C ATOM 0 H ALA A 84 -1.887 17.026 11.676 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.579 14.494 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.772 15.381 14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.860 16.484 13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.551 16.848 14.180 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.733 15.244 12.626 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.055 14.688 12.850 1.00 0.00 C ATOM 1290 C GLY A 85 -6.529 13.835 11.689 1.00 0.00 C ATOM 1291 O GLY A 85 -7.157 12.795 11.890 1.00 0.00 O ATOM 0 H GLY A 85 -4.722 16.145 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.044 14.086 13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.764 15.499 13.014 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.231 14.277 10.472 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.632 13.547 9.276 1.00 0.00 C ATOM 1297 C ILE A 86 -6.395 12.050 9.440 1.00 0.00 C ATOM 1298 O ILE A 86 -5.275 11.613 9.705 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.869 14.042 8.033 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.492 15.337 7.508 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.868 12.972 6.951 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.644 16.036 6.468 1.00 0.00 C ATOM 0 H ILE A 86 -5.714 15.137 10.288 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.697 13.731 9.137 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.836 14.246 8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.468 15.113 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.660 16.015 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.325 13.337 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.384 12.072 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.895 12.740 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.147 16.946 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.676 16.291 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.497 15.375 5.614 1.00 0.00 H new ATOM 1314 N SER A 87 -7.458 11.267 9.281 1.00 0.00 N ATOM 1315 CA SER A 87 -7.367 9.818 9.414 1.00 0.00 C ATOM 1316 C SER A 87 -7.791 9.126 8.122 1.00 0.00 C ATOM 1317 O SER A 87 -8.438 9.728 7.266 1.00 0.00 O ATOM 1318 CB SER A 87 -8.240 9.335 10.574 1.00 0.00 C ATOM 1319 OG SER A 87 -7.703 9.746 11.821 1.00 0.00 O ATOM 0 H SER A 87 -8.392 11.612 9.060 1.00 0.00 H new ATOM 0 HA SER A 87 -6.328 9.562 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.250 9.729 10.462 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.317 8.248 10.548 1.00 0.00 H new ATOM 0 HG SER A 87 -7.542 10.713 11.805 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.422 7.856 7.990 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.762 7.082 6.802 1.00 0.00 C ATOM 1327 C PHE A 88 -8.429 5.763 7.185 1.00 0.00 C ATOM 1328 O PHE A 88 -7.891 4.993 7.981 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.509 6.808 5.968 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.247 7.853 4.922 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.954 9.158 5.284 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.293 7.531 3.575 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.711 10.122 4.325 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.050 8.491 2.610 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.760 9.788 2.985 1.00 0.00 C ATOM 0 H PHE A 88 -6.888 7.342 8.690 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.464 7.667 6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.647 6.745 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.610 5.837 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.915 9.425 6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.521 6.519 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.483 11.135 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.087 8.227 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.572 10.540 2.233 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.602 5.513 6.615 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.342 4.288 6.897 1.00 0.00 C ATOM 1347 C ILE A 89 -10.319 3.345 5.698 1.00 0.00 C ATOM 1348 O ILE A 89 -10.939 3.618 4.670 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.805 4.588 7.273 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.864 5.656 8.367 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.505 3.316 7.729 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.001 7.064 7.829 1.00 0.00 C ATOM 0 H ILE A 89 -10.061 6.141 5.955 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.850 3.809 7.743 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.321 4.968 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.706 5.444 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.961 5.594 8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.538 3.543 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.488 2.583 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.990 2.910 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.037 7.769 8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.146 7.295 7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.919 7.143 7.246 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.604 2.234 5.840 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.505 1.249 4.771 1.00 0.00 C ATOM 1366 C ILE A 90 -10.713 0.317 4.766 1.00 0.00 C ATOM 1367 O ILE A 90 -10.905 -0.472 5.692 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.221 0.407 4.898 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.231 0.776 3.792 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.554 -1.077 4.846 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.277 1.884 4.180 1.00 0.00 C ATOM 0 H ILE A 90 -9.085 1.994 6.685 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.475 1.804 3.833 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.757 0.622 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.656 -0.109 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.787 1.080 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.637 -1.659 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.226 -1.328 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.038 -1.308 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.604 2.093 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.843 2.783 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.695 1.575 5.048 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.523 0.413 3.718 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.711 -0.423 3.591 1.00 0.00 C ATOM 1385 C LYS A 91 -12.394 -1.705 2.829 1.00 0.00 C ATOM 1386 O LYS A 91 -13.037 -2.735 3.036 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.825 0.346 2.875 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.003 1.768 3.378 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.032 1.839 4.495 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.472 3.272 4.757 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.859 3.338 5.293 1.00 0.00 N ATOM 0 H LYS A 91 -11.379 1.061 2.944 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.047 -0.690 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.609 0.372 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.764 -0.194 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.048 2.150 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.314 2.410 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.899 1.233 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.611 1.414 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.787 3.738 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.413 3.845 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.121 4.331 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.517 2.916 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.910 2.813 6.189 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.401 -1.636 1.950 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.998 -2.794 1.159 1.00 0.00 C ATOM 1407 C ARG A 92 -9.815 -2.451 0.258 1.00 0.00 C ATOM 1408 O ARG A 92 -9.787 -1.413 -0.404 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.171 -3.290 0.311 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.745 -4.080 -0.915 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.294 -3.161 -2.040 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.613 -3.710 -3.356 1.00 0.00 N ATOM 1413 CZ ARG A 92 -12.853 -3.898 -3.793 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -13.885 -3.583 -3.022 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.063 -4.401 -5.002 1.00 0.00 N ATOM 0 H ARG A 92 -10.860 -0.791 1.767 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.693 -3.584 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.816 -3.914 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.766 -2.434 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.933 -4.757 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.575 -4.697 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.772 -2.188 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.219 -2.998 -1.966 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.841 -3.963 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.727 -3.196 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.837 -3.728 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.272 -4.644 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.016 -4.545 -5.336 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.814 -3.344 0.232 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.611 -3.158 -0.583 1.00 0.00 C ATOM 1431 C PRO A 93 -7.895 -3.287 -2.076 1.00 0.00 C ATOM 1432 O PRO A 93 -8.501 -4.263 -2.521 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.688 -4.287 -0.115 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.608 -5.336 0.407 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.781 -4.602 0.995 1.00 0.00 C ATOM 0 HA PRO A 93 -7.186 -2.162 -0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.079 -4.667 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.001 -3.942 0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.927 -6.007 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.114 -5.949 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.707 -5.166 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.648 -4.422 2.062 1.00 0.00 H new