USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 15 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -3.63! X(o=-3.6!,f=-3.3) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -0.027 (180deg=-0.459) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.4!) USER MOD Single : A 48 ASN : amide:sc= -0.753 K(o=-0.75,f=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 30:sc= -0.147 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 81 SER OG : rot -110:sc= 0.118 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -57:sc= -2.6! USER MOD Single : A 95 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.723 18.967 10.819 1.00 0.00 N ATOM 145 CA LEU A 13 -4.007 18.371 9.705 1.00 0.00 C ATOM 146 C LEU A 13 -4.962 17.479 8.909 1.00 0.00 C ATOM 147 O LEU A 13 -5.775 16.761 9.490 1.00 0.00 O ATOM 148 CB LEU A 13 -2.755 17.645 10.199 1.00 0.00 C ATOM 149 CG LEU A 13 -1.582 18.536 10.612 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.775 17.891 11.741 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.706 18.883 9.407 1.00 0.00 C ATOM 0 HA LEU A 13 -3.651 19.144 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.032 17.024 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.415 16.972 9.412 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.984 19.473 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.053 18.545 12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.419 17.738 12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.383 16.931 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.120 19.517 9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.311 17.967 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.302 19.413 8.664 1.00 0.00 H new ATOM 163 N PRO A 14 -4.829 17.555 7.558 1.00 0.00 N ATOM 164 CA PRO A 14 -5.670 16.763 6.677 1.00 0.00 C ATOM 165 C PRO A 14 -5.232 15.297 6.672 1.00 0.00 C ATOM 166 O PRO A 14 -4.075 14.990 6.959 1.00 0.00 O ATOM 167 CB PRO A 14 -5.546 17.425 5.314 1.00 0.00 C ATOM 168 CG PRO A 14 -4.287 18.274 5.377 1.00 0.00 C ATOM 169 CD PRO A 14 -3.878 18.395 6.835 1.00 0.00 C ATOM 0 HA PRO A 14 -6.711 16.738 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.475 16.679 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.420 18.038 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.488 17.816 4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.470 19.260 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.854 18.056 6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.925 19.430 7.175 1.00 0.00 H new ATOM 177 N ASN A 15 -6.178 14.430 6.343 1.00 0.00 N ATOM 178 CA ASN A 15 -5.904 13.004 6.297 1.00 0.00 C ATOM 179 C ASN A 15 -6.975 12.311 5.452 1.00 0.00 C ATOM 180 O ASN A 15 -8.133 12.725 5.449 1.00 0.00 O ATOM 181 CB ASN A 15 -5.937 12.392 7.698 1.00 0.00 C ATOM 182 CG ASN A 15 -5.390 13.371 8.738 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.193 13.559 8.883 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.331 13.984 9.451 1.00 0.00 N ATOM 0 H ASN A 15 -7.136 14.688 6.106 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.913 12.864 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.960 12.118 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.348 11.475 7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.068 14.658 10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.315 13.780 9.278 1.00 0.00 H new ATOM 191 N ARG A 16 -6.549 11.267 4.756 1.00 0.00 N ATOM 192 CA ARG A 16 -7.457 10.512 3.909 1.00 0.00 C ATOM 193 C ARG A 16 -7.017 9.048 3.831 1.00 0.00 C ATOM 194 O ARG A 16 -5.841 8.761 3.611 1.00 0.00 O ATOM 195 CB ARG A 16 -7.508 11.098 2.496 1.00 0.00 C ATOM 196 CG ARG A 16 -8.758 10.624 1.752 1.00 0.00 C ATOM 197 CD ARG A 16 -10.014 11.302 2.303 1.00 0.00 C ATOM 198 NE ARG A 16 -10.256 12.576 1.590 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.422 13.236 1.606 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.460 12.746 2.297 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.551 14.386 0.930 1.00 0.00 N ATOM 0 H ARG A 16 -5.588 10.926 4.761 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.451 10.573 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.503 12.187 2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.617 10.802 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.658 10.844 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.853 9.542 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.874 10.642 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.897 11.490 3.370 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.487 12.977 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.363 11.870 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.347 13.249 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.761 14.759 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.439 14.888 0.942 1.00 0.00 H new ATOM 215 N GLN A 17 -7.984 8.162 4.015 1.00 0.00 N ATOM 216 CA GLN A 17 -7.711 6.736 3.969 1.00 0.00 C ATOM 217 C GLN A 17 -8.804 6.011 3.180 1.00 0.00 C ATOM 218 O GLN A 17 -9.984 6.110 3.514 1.00 0.00 O ATOM 219 CB GLN A 17 -7.577 6.157 5.378 1.00 0.00 C ATOM 220 CG GLN A 17 -8.951 5.940 6.015 1.00 0.00 C ATOM 221 CD GLN A 17 -9.744 7.248 6.067 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.274 8.270 6.540 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.968 7.160 5.554 1.00 0.00 N ATOM 0 H GLN A 17 -8.958 8.404 4.196 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.760 6.585 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.038 5.210 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.987 6.832 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.507 5.196 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.830 5.544 7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.299 6.273 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.575 7.979 5.540 1.00 0.00 H new ATOM 232 N LEU A 18 -8.372 5.300 2.149 1.00 0.00 N ATOM 233 CA LEU A 18 -9.300 4.560 1.310 1.00 0.00 C ATOM 234 C LEU A 18 -9.303 3.090 1.735 1.00 0.00 C ATOM 235 O LEU A 18 -8.395 2.640 2.432 1.00 0.00 O ATOM 236 CB LEU A 18 -8.970 4.772 -0.169 1.00 0.00 C ATOM 237 CG LEU A 18 -8.439 6.156 -0.546 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.351 7.259 -0.006 1.00 0.00 C ATOM 239 CD2 LEU A 18 -6.991 6.332 -0.085 1.00 0.00 C ATOM 0 H LEU A 18 -7.393 5.220 1.875 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.316 4.933 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.231 4.028 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.870 4.579 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.443 6.239 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.951 8.233 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.350 7.142 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.403 7.189 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.638 7.324 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.938 6.221 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.364 5.577 -0.559 1.00 0.00 H new ATOM 251 N LYS A 19 -10.334 2.383 1.297 1.00 0.00 N ATOM 252 CA LYS A 19 -10.468 0.973 1.624 1.00 0.00 C ATOM 253 C LYS A 19 -10.302 0.142 0.350 1.00 0.00 C ATOM 254 O LYS A 19 -11.233 0.027 -0.446 1.00 0.00 O ATOM 255 CB LYS A 19 -11.784 0.716 2.360 1.00 0.00 C ATOM 256 CG LYS A 19 -12.981 0.902 1.424 1.00 0.00 C ATOM 257 CD LYS A 19 -13.459 -0.442 0.872 1.00 0.00 C ATOM 258 CE LYS A 19 -14.772 -0.869 1.531 1.00 0.00 C ATOM 259 NZ LYS A 19 -14.646 -0.840 3.005 1.00 0.00 N ATOM 0 H LYS A 19 -11.085 2.760 0.718 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.681 0.664 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.787 -0.296 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.870 1.397 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.795 1.389 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.704 1.560 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.596 -0.368 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.697 -1.202 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.577 -0.205 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.041 -1.873 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.332 -1.499 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.683 -1.123 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.834 0.123 3.351 1.00 0.00 H new ATOM 273 N VAL A 20 -9.111 -0.418 0.198 1.00 0.00 N ATOM 274 CA VAL A 20 -8.812 -1.236 -0.965 1.00 0.00 C ATOM 275 C VAL A 20 -9.443 -2.618 -0.788 1.00 0.00 C ATOM 276 O VAL A 20 -9.196 -3.293 0.210 1.00 0.00 O ATOM 277 CB VAL A 20 -7.299 -1.294 -1.189 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.959 -2.131 -2.424 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.707 0.113 -1.300 1.00 0.00 C ATOM 0 H VAL A 20 -8.342 -0.321 0.861 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.244 -0.794 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.850 -1.779 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.878 -2.156 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.331 -3.147 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.425 -1.688 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.631 0.043 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.165 0.635 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.903 0.664 -0.380 1.00 0.00 H new ATOM 289 N LYS A 21 -10.246 -2.998 -1.771 1.00 0.00 N ATOM 290 CA LYS A 21 -10.914 -4.287 -1.736 1.00 0.00 C ATOM 291 C LYS A 21 -9.963 -5.364 -2.261 1.00 0.00 C ATOM 292 O LYS A 21 -10.086 -5.803 -3.403 1.00 0.00 O ATOM 293 CB LYS A 21 -12.244 -4.222 -2.489 1.00 0.00 C ATOM 294 CG LYS A 21 -13.373 -3.751 -1.568 1.00 0.00 C ATOM 295 CD LYS A 21 -14.618 -3.377 -2.375 1.00 0.00 C ATOM 296 CE LYS A 21 -14.980 -1.904 -2.173 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.159 -1.543 -2.991 1.00 0.00 N ATOM 0 H LYS A 21 -10.449 -2.435 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.167 -4.557 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.154 -3.542 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.486 -5.205 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.620 -4.539 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.039 -2.891 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.441 -3.570 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.455 -4.006 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.189 -1.716 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.133 -1.274 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.391 -0.540 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.946 -1.704 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.969 -2.131 -2.710 1.00 0.00 H new ATOM 311 N VAL A 22 -9.035 -5.759 -1.401 1.00 0.00 N ATOM 312 CA VAL A 22 -8.064 -6.777 -1.763 1.00 0.00 C ATOM 313 C VAL A 22 -8.626 -8.158 -1.421 1.00 0.00 C ATOM 314 O VAL A 22 -9.831 -8.311 -1.226 1.00 0.00 O ATOM 315 CB VAL A 22 -6.725 -6.490 -1.079 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.390 -4.998 -1.135 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.727 -6.999 0.363 1.00 0.00 C ATOM 0 H VAL A 22 -8.935 -5.392 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.876 -6.760 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.948 -7.028 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.434 -4.821 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.327 -4.678 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.170 -4.431 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.764 -6.783 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.519 -6.502 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.899 -8.075 0.369 1.00 0.00 H new ATOM 643 N GLN A 44 7.575 0.226 -1.083 1.00 0.00 N ATOM 644 CA GLN A 44 8.143 1.206 -0.173 1.00 0.00 C ATOM 645 C GLN A 44 8.803 2.340 -0.959 1.00 0.00 C ATOM 646 O GLN A 44 8.547 3.514 -0.695 1.00 0.00 O ATOM 647 CB GLN A 44 9.140 0.551 0.785 1.00 0.00 C ATOM 648 CG GLN A 44 8.554 0.438 2.194 1.00 0.00 C ATOM 649 CD GLN A 44 9.254 1.399 3.157 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.881 2.368 2.762 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.113 1.077 4.440 1.00 0.00 N ATOM 0 HA GLN A 44 7.336 1.627 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.406 -0.440 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.059 1.137 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.487 0.658 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.659 -0.585 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.574 0.251 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.543 1.656 5.161 1.00 0.00 H new ATOM 660 N GLU A 45 9.639 1.950 -1.911 1.00 0.00 N ATOM 661 CA GLU A 45 10.337 2.920 -2.737 1.00 0.00 C ATOM 662 C GLU A 45 9.333 3.806 -3.478 1.00 0.00 C ATOM 663 O GLU A 45 9.433 5.031 -3.437 1.00 0.00 O ATOM 664 CB GLU A 45 11.283 2.225 -3.717 1.00 0.00 C ATOM 665 CG GLU A 45 11.862 3.223 -4.722 1.00 0.00 C ATOM 666 CD GLU A 45 13.275 2.816 -5.147 1.00 0.00 C ATOM 667 OE1 GLU A 45 13.370 1.942 -6.036 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.227 3.388 -4.574 1.00 0.00 O ATOM 0 H GLU A 45 9.848 0.976 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 45 10.941 3.554 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.093 1.745 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.748 1.438 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.216 3.278 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.884 4.219 -4.279 1.00 0.00 H new ATOM 675 N ALA A 46 8.390 3.151 -4.139 1.00 0.00 N ATOM 676 CA ALA A 46 7.369 3.864 -4.889 1.00 0.00 C ATOM 677 C ALA A 46 6.753 4.946 -4.000 1.00 0.00 C ATOM 678 O ALA A 46 6.973 6.136 -4.221 1.00 0.00 O ATOM 679 CB ALA A 46 6.327 2.870 -5.405 1.00 0.00 C ATOM 0 H ALA A 46 8.311 2.135 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 46 7.805 4.359 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.561 3.405 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.811 2.140 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.865 2.356 -4.562 1.00 0.00 H new ATOM 685 N ILE A 47 5.992 4.494 -3.014 1.00 0.00 N ATOM 686 CA ILE A 47 5.341 5.409 -2.091 1.00 0.00 C ATOM 687 C ILE A 47 6.384 6.364 -1.507 1.00 0.00 C ATOM 688 O ILE A 47 6.151 7.569 -1.425 1.00 0.00 O ATOM 689 CB ILE A 47 4.556 4.633 -1.032 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.485 3.753 -1.679 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.964 5.580 0.014 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.164 2.543 -0.799 1.00 0.00 C ATOM 0 H ILE A 47 5.812 3.506 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 47 4.606 6.020 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 47 5.247 3.970 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.580 4.338 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.829 3.415 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.411 5.003 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.768 6.127 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.291 6.285 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.400 1.934 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.066 1.948 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.797 2.884 0.169 1.00 0.00 H new ATOM 704 N ASN A 48 7.512 5.789 -1.115 1.00 0.00 N ATOM 705 CA ASN A 48 8.592 6.574 -0.541 1.00 0.00 C ATOM 706 C ASN A 48 8.935 7.729 -1.484 1.00 0.00 C ATOM 707 O ASN A 48 9.411 8.774 -1.044 1.00 0.00 O ATOM 708 CB ASN A 48 9.851 5.726 -0.354 1.00 0.00 C ATOM 709 CG ASN A 48 11.084 6.610 -0.158 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.045 7.637 0.500 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.177 6.156 -0.764 1.00 0.00 N ATOM 0 H ASN A 48 7.701 4.789 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 48 8.260 6.945 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.728 5.071 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.994 5.084 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.052 6.675 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.140 5.289 -1.299 1.00 0.00 H new ATOM 718 N ASP A 49 8.680 7.500 -2.764 1.00 0.00 N ATOM 719 CA ASP A 49 8.957 8.508 -3.774 1.00 0.00 C ATOM 720 C ASP A 49 7.784 9.488 -3.844 1.00 0.00 C ATOM 721 O ASP A 49 7.982 10.686 -4.043 1.00 0.00 O ATOM 722 CB ASP A 49 9.126 7.873 -5.155 1.00 0.00 C ATOM 723 CG ASP A 49 10.178 8.535 -6.047 1.00 0.00 C ATOM 724 OD1 ASP A 49 9.976 9.724 -6.376 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.160 7.837 -6.381 1.00 0.00 O ATOM 0 H ASP A 49 8.285 6.632 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 49 9.880 9.018 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.390 6.823 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.166 7.899 -5.670 1.00 0.00 H new ATOM 730 N LEU A 50 6.588 8.943 -3.678 1.00 0.00 N ATOM 731 CA LEU A 50 5.383 9.754 -3.721 1.00 0.00 C ATOM 732 C LEU A 50 5.243 10.521 -2.404 1.00 0.00 C ATOM 733 O LEU A 50 4.479 11.481 -2.319 1.00 0.00 O ATOM 734 CB LEU A 50 4.167 8.890 -4.061 1.00 0.00 C ATOM 735 CG LEU A 50 3.793 8.812 -5.542 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.992 7.542 -5.840 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.053 10.074 -5.989 1.00 0.00 C ATOM 0 H LEU A 50 6.427 7.949 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 50 5.451 10.495 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.352 7.878 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.308 9.273 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 50 4.713 8.756 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.739 7.512 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.589 6.667 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.077 7.542 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.799 9.992 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.140 10.187 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.692 10.944 -5.836 1.00 0.00 H new ATOM 749 N VAL A 51 5.994 10.069 -1.410 1.00 0.00 N ATOM 750 CA VAL A 51 5.963 10.701 -0.102 1.00 0.00 C ATOM 751 C VAL A 51 6.949 11.871 -0.082 1.00 0.00 C ATOM 752 O VAL A 51 6.802 12.798 0.712 1.00 0.00 O ATOM 753 CB VAL A 51 6.244 9.664 0.987 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.427 10.335 2.349 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.136 8.610 1.039 1.00 0.00 C ATOM 0 H VAL A 51 6.627 9.273 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 51 4.972 11.107 0.102 1.00 0.00 H new ATOM 0 HB VAL A 51 7.176 9.158 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.625 9.575 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.266 11.029 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.520 10.880 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.360 7.885 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.183 9.094 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.074 8.099 0.078 1.00 0.00 H new ATOM 765 N LYS A 52 7.933 11.789 -0.967 1.00 0.00 N ATOM 766 CA LYS A 52 8.943 12.829 -1.061 1.00 0.00 C ATOM 767 C LYS A 52 8.554 13.814 -2.165 1.00 0.00 C ATOM 768 O LYS A 52 9.179 14.862 -2.315 1.00 0.00 O ATOM 769 CB LYS A 52 10.331 12.213 -1.247 1.00 0.00 C ATOM 770 CG LYS A 52 10.677 12.081 -2.732 1.00 0.00 C ATOM 771 CD LYS A 52 12.111 11.582 -2.918 1.00 0.00 C ATOM 772 CE LYS A 52 13.085 12.753 -3.063 1.00 0.00 C ATOM 773 NZ LYS A 52 14.481 12.289 -2.904 1.00 0.00 N ATOM 0 H LYS A 52 8.052 11.018 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 52 8.993 13.396 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.077 12.832 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.364 11.232 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.983 11.390 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.557 13.046 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.400 10.968 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.167 10.946 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.960 13.219 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.861 13.514 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.129 13.096 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.601 11.865 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.696 11.579 -3.633 1.00 0.00 H new ATOM 787 N LYS A 53 7.523 13.441 -2.910 1.00 0.00 N ATOM 788 CA LYS A 53 7.043 14.278 -3.996 1.00 0.00 C ATOM 789 C LYS A 53 6.408 15.544 -3.416 1.00 0.00 C ATOM 790 O LYS A 53 6.641 16.644 -3.914 1.00 0.00 O ATOM 791 CB LYS A 53 6.108 13.485 -4.911 1.00 0.00 C ATOM 792 CG LYS A 53 6.886 12.827 -6.052 1.00 0.00 C ATOM 793 CD LYS A 53 6.457 13.395 -7.407 1.00 0.00 C ATOM 794 CE LYS A 53 5.228 12.660 -7.945 1.00 0.00 C ATOM 795 NZ LYS A 53 4.687 13.356 -9.134 1.00 0.00 N ATOM 0 H LYS A 53 7.007 12.570 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 53 7.873 14.597 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.589 12.721 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.346 14.148 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.955 12.987 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.720 11.750 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.235 14.457 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.278 13.307 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.495 11.636 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.463 12.603 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.853 12.844 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.414 14.325 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.413 13.388 -9.878 1.00 0.00 H new ATOM 809 N TYR A 54 5.618 15.346 -2.371 1.00 0.00 N ATOM 810 CA TYR A 54 4.947 16.457 -1.718 1.00 0.00 C ATOM 811 C TYR A 54 5.685 16.870 -0.443 1.00 0.00 C ATOM 812 O TYR A 54 6.568 16.154 0.027 1.00 0.00 O ATOM 813 CB TYR A 54 3.554 15.949 -1.345 1.00 0.00 C ATOM 814 CG TYR A 54 2.734 15.447 -2.535 1.00 0.00 C ATOM 815 CD1 TYR A 54 2.835 14.130 -2.937 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.895 16.311 -3.208 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.064 13.658 -4.057 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.124 15.839 -4.329 1.00 0.00 C ATOM 819 CZ TYR A 54 1.246 14.536 -4.698 1.00 0.00 C ATOM 820 OH TYR A 54 0.518 14.090 -5.757 1.00 0.00 O ATOM 0 H TYR A 54 5.427 14.432 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 54 4.912 17.325 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.655 15.141 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.006 16.752 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.493 13.454 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.816 17.341 -2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.133 12.630 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.464 16.505 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 54 0.314 13.139 -5.636 1.00 0.00 H new ATOM 830 N THR A 55 5.296 18.024 0.080 1.00 0.00 N ATOM 831 CA THR A 55 5.910 18.540 1.292 1.00 0.00 C ATOM 832 C THR A 55 5.144 18.058 2.525 1.00 0.00 C ATOM 833 O THR A 55 3.935 18.262 2.629 1.00 0.00 O ATOM 834 CB THR A 55 5.976 20.064 1.175 1.00 0.00 C ATOM 835 OG1 THR A 55 7.324 20.325 0.792 1.00 0.00 O ATOM 836 CG2 THR A 55 5.833 20.762 2.530 1.00 0.00 C ATOM 0 H THR A 55 4.564 18.616 -0.313 1.00 0.00 H new ATOM 0 HA THR A 55 6.926 18.164 1.412 1.00 0.00 H new ATOM 0 HB THR A 55 5.191 20.410 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.454 21.291 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.887 21.842 2.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.873 20.501 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.638 20.441 3.191 1.00 0.00 H new ATOM 844 N LEU A 56 5.879 17.427 3.430 1.00 0.00 N ATOM 845 CA LEU A 56 5.283 16.914 4.652 1.00 0.00 C ATOM 846 C LEU A 56 4.203 15.890 4.297 1.00 0.00 C ATOM 847 O LEU A 56 3.015 16.143 4.492 1.00 0.00 O ATOM 848 CB LEU A 56 4.778 18.064 5.525 1.00 0.00 C ATOM 849 CG LEU A 56 5.768 18.608 6.558 1.00 0.00 C ATOM 850 CD1 LEU A 56 5.223 19.871 7.227 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.139 17.532 7.580 1.00 0.00 C ATOM 0 H LEU A 56 6.881 17.260 3.341 1.00 0.00 H new ATOM 0 HA LEU A 56 6.030 16.394 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.477 18.884 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.883 17.729 6.050 1.00 0.00 H new ATOM 0 HG LEU A 56 6.684 18.889 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.946 20.237 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.050 20.637 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.284 19.640 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.843 17.944 8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.241 17.198 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.598 16.686 7.068 1.00 0.00 H new ATOM 863 N ALA A 57 4.654 14.756 3.783 1.00 0.00 N ATOM 864 CA ALA A 57 3.741 13.693 3.399 1.00 0.00 C ATOM 865 C ALA A 57 4.105 12.415 4.158 1.00 0.00 C ATOM 866 O ALA A 57 5.236 12.262 4.617 1.00 0.00 O ATOM 867 CB ALA A 57 3.786 13.503 1.882 1.00 0.00 C ATOM 0 H ALA A 57 5.640 14.550 3.623 1.00 0.00 H new ATOM 0 HA ALA A 57 2.716 13.954 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.101 12.705 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.491 14.430 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.799 13.238 1.578 1.00 0.00 H new ATOM 873 N ARG A 58 3.126 11.529 4.265 1.00 0.00 N ATOM 874 CA ARG A 58 3.330 10.269 4.960 1.00 0.00 C ATOM 875 C ARG A 58 2.247 9.263 4.563 1.00 0.00 C ATOM 876 O ARG A 58 1.063 9.595 4.546 1.00 0.00 O ATOM 877 CB ARG A 58 3.302 10.466 6.477 1.00 0.00 C ATOM 878 CG ARG A 58 4.703 10.327 7.074 1.00 0.00 C ATOM 879 CD ARG A 58 4.969 11.421 8.110 1.00 0.00 C ATOM 880 NE ARG A 58 6.053 10.999 9.025 1.00 0.00 N ATOM 881 CZ ARG A 58 6.730 11.835 9.824 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.440 13.143 9.824 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.698 11.363 10.621 1.00 0.00 N ATOM 0 H ARG A 58 2.189 11.658 3.882 1.00 0.00 H new ATOM 0 HA ARG A 58 4.309 9.886 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.899 11.451 6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.635 9.732 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.808 9.347 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.448 10.384 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.246 12.349 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.061 11.624 8.678 1.00 0.00 H new ATOM 0 HE ARG A 58 6.300 10.010 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.704 13.502 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.955 13.780 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.920 10.367 10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.213 11.999 11.229 1.00 0.00 H new ATOM 897 N ALA A 59 2.692 8.054 4.255 1.00 0.00 N ATOM 898 CA ALA A 59 1.777 6.998 3.859 1.00 0.00 C ATOM 899 C ALA A 59 1.961 5.795 4.786 1.00 0.00 C ATOM 900 O ALA A 59 2.981 5.680 5.465 1.00 0.00 O ATOM 901 CB ALA A 59 2.011 6.642 2.389 1.00 0.00 C ATOM 0 H ALA A 59 3.675 7.782 4.272 1.00 0.00 H new ATOM 0 HA ALA A 59 0.744 7.332 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.324 5.849 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.838 7.522 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.038 6.301 2.256 1.00 0.00 H new ATOM 907 N PHE A 60 0.959 4.928 4.786 1.00 0.00 N ATOM 908 CA PHE A 60 0.998 3.739 5.619 1.00 0.00 C ATOM 909 C PHE A 60 -0.015 2.698 5.136 1.00 0.00 C ATOM 910 O PHE A 60 -0.653 2.881 4.101 1.00 0.00 O ATOM 911 CB PHE A 60 0.627 4.174 7.038 1.00 0.00 C ATOM 912 CG PHE A 60 1.685 5.045 7.718 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.972 4.615 7.796 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.337 6.250 8.245 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.954 5.424 8.428 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.319 7.059 8.876 1.00 0.00 C ATOM 917 CZ PHE A 60 3.606 6.628 8.954 1.00 0.00 C ATOM 0 H PHE A 60 0.115 5.026 4.222 1.00 0.00 H new ATOM 0 HA PHE A 60 1.990 3.289 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.314 4.723 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.456 3.286 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.248 3.658 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.314 6.591 8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.977 5.082 8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.043 8.016 9.294 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.353 7.243 9.434 1.00 0.00 H new ATOM 927 N VAL A 61 -0.131 1.628 5.910 1.00 0.00 N ATOM 928 CA VAL A 61 -1.055 0.559 5.574 1.00 0.00 C ATOM 929 C VAL A 61 -1.778 0.099 6.841 1.00 0.00 C ATOM 930 O VAL A 61 -1.191 0.074 7.922 1.00 0.00 O ATOM 931 CB VAL A 61 -0.308 -0.575 4.868 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.017 -0.215 3.410 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.980 -0.931 5.612 1.00 0.00 C ATOM 0 H VAL A 61 0.400 1.479 6.768 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.814 0.915 4.877 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.952 -1.455 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.514 -1.038 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.955 -0.035 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.598 0.684 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.491 -1.739 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.630 -0.057 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.738 -1.251 6.626 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.658 -3.553 2.970 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.488 -2.906 3.540 1.00 0.00 C ATOM 1061 C VAL A 70 -7.660 -1.388 3.457 1.00 0.00 C ATOM 1062 O VAL A 70 -7.909 -0.845 2.381 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.222 -3.404 2.839 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.010 -2.557 3.232 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.977 -4.884 3.136 1.00 0.00 C ATOM 0 HA VAL A 70 -7.383 -3.164 4.594 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.370 -3.299 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.123 -2.931 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.183 -1.520 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.859 -2.616 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.071 -5.212 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.860 -5.025 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.825 -5.471 2.784 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.520 -0.745 4.607 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.657 0.700 4.678 1.00 0.00 C ATOM 1077 C ARG A 71 -6.290 1.370 4.526 1.00 0.00 C ATOM 1078 O ARG A 71 -5.508 1.416 5.474 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.282 1.129 6.007 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.690 0.551 6.162 1.00 0.00 C ATOM 1081 CD ARG A 71 -10.356 1.064 7.440 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.920 -0.068 8.208 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.654 0.070 9.321 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.917 1.292 9.802 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -12.124 -1.015 9.951 1.00 0.00 N ATOM 0 H ARG A 71 -7.313 -1.198 5.497 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.311 1.012 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.655 0.794 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.324 2.217 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.296 0.823 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.639 -0.538 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.628 1.600 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.145 1.773 7.189 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.739 -1.013 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.559 2.117 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.476 1.397 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.923 -1.945 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.683 -0.911 10.798 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.044 1.873 3.325 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.785 2.539 3.036 1.00 0.00 C ATOM 1101 C VAL A 72 -4.779 3.919 3.697 1.00 0.00 C ATOM 1102 O VAL A 72 -5.765 4.652 3.621 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.560 2.600 1.524 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.513 3.657 1.168 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.163 1.228 0.974 1.00 0.00 C ATOM 0 H VAL A 72 -6.695 1.833 2.541 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.951 1.975 3.453 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.501 2.890 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.372 3.680 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.852 4.635 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.568 3.411 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.009 1.298 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.241 0.897 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.956 0.510 1.181 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.659 4.232 4.331 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.512 5.511 5.005 1.00 0.00 C ATOM 1117 C TYR A 73 -2.558 6.429 4.238 1.00 0.00 C ATOM 1118 O TYR A 73 -1.626 5.957 3.587 1.00 0.00 O ATOM 1119 CB TYR A 73 -2.909 5.199 6.376 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.810 5.577 7.553 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.103 5.098 7.613 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.331 6.396 8.554 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.952 5.453 8.721 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.179 6.751 9.662 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.448 6.262 9.691 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.249 6.598 10.737 1.00 0.00 O ATOM 0 H TYR A 73 -2.844 3.622 4.392 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.474 6.019 5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.687 4.133 6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.961 5.728 6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.478 4.457 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.319 6.771 8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.966 5.085 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.816 7.391 10.452 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.756 7.179 11.353 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.822 7.723 4.339 1.00 0.00 N ATOM 1137 CA ALA A 74 -1.998 8.711 3.664 1.00 0.00 C ATOM 1138 C ALA A 74 -2.399 10.110 4.133 1.00 0.00 C ATOM 1139 O ALA A 74 -3.579 10.460 4.119 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.138 8.542 2.149 1.00 0.00 C ATOM 0 H ALA A 74 -3.596 8.111 4.879 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.946 8.569 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.520 9.283 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.813 7.542 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.180 8.681 1.862 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.395 10.874 4.538 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.628 12.228 5.012 1.00 0.00 C ATOM 1148 C GLU A 75 -0.559 13.174 4.462 1.00 0.00 C ATOM 1149 O GLU A 75 0.499 12.730 4.019 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.669 12.275 6.540 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.292 11.973 7.135 1.00 0.00 C ATOM 1152 CD GLU A 75 0.544 13.249 7.257 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.168 14.096 8.096 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.541 13.348 6.509 1.00 0.00 O ATOM 0 H GLU A 75 -0.418 10.581 4.548 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.600 12.558 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.003 13.259 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.396 11.552 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.409 11.515 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.229 11.251 6.507 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.872 14.460 4.509 1.00 0.00 N ATOM 1162 CA ALA A 76 0.050 15.473 4.021 1.00 0.00 C ATOM 1163 C ALA A 76 -0.239 16.800 4.724 1.00 0.00 C ATOM 1164 O ALA A 76 -1.242 16.931 5.424 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.070 15.581 2.499 1.00 0.00 C ATOM 0 H ALA A 76 -1.751 14.825 4.877 1.00 0.00 H new ATOM 0 HA ALA A 76 1.080 15.197 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.621 16.340 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.173 14.620 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.090 15.860 2.233 1.00 0.00 H new ATOM 1171 N ASN A 77 0.658 17.752 4.514 1.00 0.00 N ATOM 1172 CA ASN A 77 0.512 19.065 5.119 1.00 0.00 C ATOM 1173 C ASN A 77 -0.616 19.824 4.417 1.00 0.00 C ATOM 1174 O ASN A 77 -1.100 20.834 4.925 1.00 0.00 O ATOM 1175 CB ASN A 77 1.796 19.885 4.974 1.00 0.00 C ATOM 1176 CG ASN A 77 1.550 21.355 5.320 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.861 21.688 6.270 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.151 22.211 4.500 1.00 0.00 N ATOM 0 H ASN A 77 1.489 17.640 3.933 1.00 0.00 H new ATOM 0 HA ASN A 77 0.291 18.925 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.567 19.478 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.169 19.806 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.049 23.215 4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.714 21.864 3.723 1.00 0.00 H new ATOM 1185 N SER A 78 -1.001 19.308 3.259 1.00 0.00 N ATOM 1186 CA SER A 78 -2.062 19.924 2.481 1.00 0.00 C ATOM 1187 C SER A 78 -3.232 18.949 2.328 1.00 0.00 C ATOM 1188 O SER A 78 -3.079 17.750 2.554 1.00 0.00 O ATOM 1189 CB SER A 78 -1.554 20.363 1.106 1.00 0.00 C ATOM 1190 OG SER A 78 -0.369 21.149 1.201 1.00 0.00 O ATOM 0 H SER A 78 -0.597 18.470 2.841 1.00 0.00 H new ATOM 0 HA SER A 78 -2.404 20.812 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.357 19.483 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.330 20.937 0.599 1.00 0.00 H new ATOM 0 HG SER A 78 -0.075 21.408 0.303 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.374 19.501 1.945 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.569 18.696 1.760 1.00 0.00 C ATOM 1198 C GLN A 79 -5.542 18.014 0.390 1.00 0.00 C ATOM 1199 O GLN A 79 -6.045 16.902 0.236 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.832 19.543 1.926 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.045 18.663 2.235 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.301 19.513 2.441 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.741 20.238 1.564 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.850 19.385 3.646 1.00 0.00 N ATOM 0 H GLN A 79 -4.497 20.496 1.758 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.586 17.924 2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.687 20.265 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.014 20.113 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.207 17.961 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.851 18.071 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.430 18.760 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.691 19.912 3.882 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.950 18.709 -0.570 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.851 18.185 -1.921 1.00 0.00 C ATOM 1215 C GLU A 80 -4.056 16.878 -1.927 1.00 0.00 C ATOM 1216 O GLU A 80 -4.573 15.834 -2.320 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.223 19.213 -2.864 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.152 19.516 -4.042 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.880 18.569 -5.212 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.027 18.933 -6.051 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.530 17.502 -5.241 1.00 0.00 O ATOM 0 H GLU A 80 -4.534 19.631 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.858 17.977 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.012 20.132 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.270 18.837 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.190 19.419 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.012 20.548 -4.364 1.00 0.00 H new ATOM 1228 N SER A 81 -2.810 16.979 -1.486 1.00 0.00 N ATOM 1229 CA SER A 81 -1.938 15.818 -1.435 1.00 0.00 C ATOM 1230 C SER A 81 -2.527 14.762 -0.498 1.00 0.00 C ATOM 1231 O SER A 81 -2.487 13.570 -0.799 1.00 0.00 O ATOM 1232 CB SER A 81 -0.530 16.207 -0.979 1.00 0.00 C ATOM 1233 OG SER A 81 -0.325 17.616 -1.022 1.00 0.00 O ATOM 0 H SER A 81 -2.384 17.847 -1.161 1.00 0.00 H new ATOM 0 HA SER A 81 -1.863 15.402 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.366 15.848 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.206 15.714 -1.614 1.00 0.00 H new ATOM 0 HG SER A 81 0.297 17.834 -1.747 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.060 15.238 0.618 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.656 14.349 1.600 1.00 0.00 C ATOM 1241 C ALA A 82 -4.588 13.364 0.891 1.00 0.00 C ATOM 1242 O ALA A 82 -4.685 12.203 1.285 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.382 15.176 2.663 1.00 0.00 C ATOM 0 H ALA A 82 -3.091 16.228 0.864 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.887 13.768 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.829 14.509 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.671 15.838 3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.164 15.771 2.190 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.250 13.864 -0.142 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.171 13.043 -0.909 1.00 0.00 C ATOM 1251 C ASP A 83 -5.412 12.362 -2.049 1.00 0.00 C ATOM 1252 O ASP A 83 -5.342 11.136 -2.108 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.285 13.893 -1.524 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.734 15.083 -0.675 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.661 14.955 0.567 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.140 16.096 -1.286 1.00 0.00 O ATOM 0 H ASP A 83 -5.167 14.828 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.609 12.307 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.947 14.264 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.148 13.254 -1.712 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.862 13.188 -2.927 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.110 12.681 -4.063 1.00 0.00 C ATOM 1263 C ARG A 84 -3.223 11.511 -3.632 1.00 0.00 C ATOM 1264 O ARG A 84 -3.401 10.387 -4.099 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.236 13.776 -4.678 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.732 14.151 -6.076 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.681 13.821 -7.138 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.618 14.907 -8.142 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.617 15.214 -8.980 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.763 14.520 -8.939 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -3.471 16.215 -9.859 1.00 0.00 N ATOM 0 H ARG A 84 -4.922 14.205 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.827 12.342 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.245 14.657 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.203 13.433 -4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.655 13.614 -6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.966 15.215 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.706 13.691 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.928 12.878 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.760 15.456 -8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.874 13.758 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.524 14.754 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.599 16.743 -9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.232 16.449 -10.497 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.285 11.816 -2.746 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.370 10.805 -2.248 1.00 0.00 C ATOM 1287 C LEU A 85 -2.155 9.538 -1.902 1.00 0.00 C ATOM 1288 O LEU A 85 -1.847 8.457 -2.401 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.546 11.355 -1.081 1.00 0.00 C ATOM 1290 CG LEU A 85 0.624 10.486 -0.617 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.607 10.233 -1.761 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.312 11.099 0.605 1.00 0.00 C ATOM 0 H LEU A 85 -2.140 12.749 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.648 10.533 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.156 12.332 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.213 11.513 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 85 0.229 9.517 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.429 9.613 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.094 9.722 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.000 11.184 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.140 10.461 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.691 12.089 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.595 11.184 1.422 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.155 9.714 -1.050 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.987 8.598 -0.632 1.00 0.00 C ATOM 1306 C ALA A 86 -4.495 7.855 -1.869 1.00 0.00 C ATOM 1307 O ALA A 86 -4.029 6.758 -2.174 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.127 9.113 0.248 1.00 0.00 C ATOM 0 H ALA A 86 -3.408 10.612 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.410 7.891 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.751 8.276 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.713 9.607 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.730 9.824 -0.317 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.444 8.482 -2.548 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.021 7.894 -3.745 1.00 0.00 C ATOM 1316 C TYR A 87 -4.937 7.271 -4.627 1.00 0.00 C ATOM 1317 O TYR A 87 -5.157 6.229 -5.243 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.680 9.047 -4.506 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.738 8.840 -6.021 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.637 7.942 -6.560 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.892 9.551 -6.848 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.692 7.747 -7.986 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.947 9.356 -8.273 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.844 8.463 -8.772 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.896 8.279 -10.119 1.00 0.00 O ATOM 0 H TYR A 87 -5.828 9.392 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.728 7.107 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.694 9.185 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.134 9.967 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.299 7.386 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.189 10.254 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.391 7.048 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.291 9.906 -8.931 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.235 8.857 -10.554 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.791 7.934 -4.658 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.672 7.458 -5.454 1.00 0.00 C ATOM 1337 C GLU A 88 -2.133 6.146 -4.880 1.00 0.00 C ATOM 1338 O GLU A 88 -2.154 5.116 -5.552 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.569 8.515 -5.537 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.011 9.704 -6.392 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.091 9.882 -7.601 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.059 8.949 -8.433 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.439 10.947 -7.667 1.00 0.00 O ATOM 0 H GLU A 88 -3.613 8.797 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.026 7.270 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.314 8.859 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.668 8.073 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.036 9.552 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.005 10.612 -5.789 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.662 6.227 -3.645 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.119 5.059 -2.973 1.00 0.00 C ATOM 1352 C VAL A 89 -2.066 3.874 -3.173 1.00 0.00 C ATOM 1353 O VAL A 89 -1.703 2.886 -3.810 1.00 0.00 O ATOM 1354 CB VAL A 89 -0.861 5.376 -1.498 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.693 4.092 -0.683 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.356 6.289 -1.339 1.00 0.00 C ATOM 0 H VAL A 89 -1.645 7.084 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.157 4.783 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.731 5.907 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.511 4.345 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.600 3.492 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.152 3.523 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.518 6.499 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.237 5.796 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.182 7.224 -1.872 1.00 0.00 H new ATOM 1366 N SER A 90 -3.261 4.012 -2.617 1.00 0.00 N ATOM 1367 CA SER A 90 -4.262 2.965 -2.727 1.00 0.00 C ATOM 1368 C SER A 90 -4.253 2.378 -4.140 1.00 0.00 C ATOM 1369 O SER A 90 -4.237 1.160 -4.310 1.00 0.00 O ATOM 1370 CB SER A 90 -5.655 3.497 -2.382 1.00 0.00 C ATOM 1371 OG SER A 90 -5.702 4.921 -2.401 1.00 0.00 O ATOM 0 H SER A 90 -3.558 4.833 -2.089 1.00 0.00 H new ATOM 0 HA SER A 90 -4.015 2.179 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.381 3.101 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.946 3.138 -1.395 1.00 0.00 H new ATOM 0 HG SER A 90 -5.030 5.279 -1.784 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.265 3.272 -5.118 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.259 2.858 -6.510 1.00 0.00 C ATOM 1379 C LEU A 91 -3.029 1.987 -6.773 1.00 0.00 C ATOM 1380 O LEU A 91 -3.157 0.831 -7.175 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.359 4.075 -7.432 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.726 4.321 -8.073 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.793 5.711 -8.707 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.067 3.217 -9.077 1.00 0.00 C ATOM 0 H LEU A 91 -4.279 4.282 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.135 2.248 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.083 4.962 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.622 3.965 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.482 4.289 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.775 5.859 -9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.625 6.469 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.026 5.797 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.044 3.416 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.312 3.194 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.089 2.254 -8.566 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.865 2.575 -6.536 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.613 1.867 -6.743 1.00 0.00 C ATOM 1398 C LEU A 92 -0.741 0.444 -6.196 1.00 0.00 C ATOM 1399 O LEU A 92 -0.525 -0.526 -6.922 1.00 0.00 O ATOM 1400 CB LEU A 92 0.553 2.654 -6.141 1.00 0.00 C ATOM 1401 CG LEU A 92 0.592 4.148 -6.467 1.00 0.00 C ATOM 1402 CD1 LEU A 92 2.018 4.694 -6.365 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.032 4.428 -7.836 1.00 0.00 C ATOM 0 H LEU A 92 -1.763 3.534 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.395 1.782 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.522 2.539 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.485 2.203 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.009 4.675 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.018 5.758 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.392 4.548 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.661 4.166 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.009 5.497 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.521 3.888 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.071 4.098 -7.837 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.093 0.363 -4.921 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.252 -0.926 -4.269 1.00 0.00 C ATOM 1417 C VAL A 93 -1.979 -1.885 -5.214 1.00 0.00 C ATOM 1418 O VAL A 93 -1.428 -2.912 -5.607 1.00 0.00 O ATOM 1419 CB VAL A 93 -1.969 -0.749 -2.929 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -1.903 -2.033 -2.099 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.394 0.437 -2.152 1.00 0.00 C ATOM 0 H VAL A 93 -1.273 1.169 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.279 -1.364 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.018 -0.537 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.420 -1.881 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.381 -2.845 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.861 -2.289 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.921 0.541 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.334 0.268 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.516 1.349 -2.737 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.206 -1.515 -5.552 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.014 -2.329 -6.444 1.00 0.00 C ATOM 1433 C PHE A 94 -3.154 -2.960 -7.541 1.00 0.00 C ATOM 1434 O PHE A 94 -3.379 -4.105 -7.929 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.042 -1.398 -7.090 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.219 -2.128 -7.742 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.010 -2.920 -8.828 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.473 -1.984 -7.236 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.102 -3.597 -9.433 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.564 -2.661 -7.841 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.356 -3.453 -8.927 1.00 0.00 C ATOM 0 H PHE A 94 -3.660 -0.662 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.489 -3.135 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.426 -0.715 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.543 -0.789 -7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.014 -3.034 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.639 -1.355 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.937 -4.226 -10.295 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.560 -2.547 -7.439 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.187 -3.967 -9.387 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.187 -2.185 -8.010 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.292 -2.653 -9.054 1.00 0.00 C ATOM 1453 C GLN A 95 -0.080 -3.355 -8.439 1.00 0.00 C ATOM 1454 O GLN A 95 0.154 -4.535 -8.694 1.00 0.00 O ATOM 1455 CB GLN A 95 -0.857 -1.501 -9.961 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.764 -1.396 -11.189 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.940 -1.343 -12.477 1.00 0.00 C ATOM 1458 OE1 GLN A 95 0.241 -1.038 -12.476 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.626 -1.658 -13.572 1.00 0.00 N ATOM 0 H GLN A 95 -2.004 -1.235 -7.686 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.830 -3.373 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.884 -0.565 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.175 -1.653 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.440 -2.251 -11.220 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.384 -0.502 -11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.613 -1.904 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.165 -1.654 -14.482 1.00 0.00 H new ATOM 1468 N LEU A 96 0.659 -2.599 -7.640 1.00 0.00 N ATOM 1469 CA LEU A 96 1.842 -3.134 -6.987 1.00 0.00 C ATOM 1470 C LEU A 96 1.505 -4.490 -6.364 1.00 0.00 C ATOM 1471 O LEU A 96 1.935 -5.530 -6.862 1.00 0.00 O ATOM 1472 CB LEU A 96 2.406 -2.122 -5.988 1.00 0.00 C ATOM 1473 CG LEU A 96 3.749 -1.491 -6.359 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.741 0.015 -6.091 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.902 -2.194 -5.639 1.00 0.00 C ATOM 0 H LEU A 96 0.462 -1.621 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 96 2.635 -3.305 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.675 -1.324 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.513 -2.616 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 96 3.905 -1.627 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.708 0.438 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.958 0.486 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.551 0.195 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.846 -1.726 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.763 -2.111 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.920 -3.246 -5.922 1.00 0.00 H new ATOM 1487 N ALA A 97 0.740 -4.436 -5.284 1.00 0.00 N ATOM 1488 CA ALA A 97 0.341 -5.648 -4.588 1.00 0.00 C ATOM 1489 C ALA A 97 -0.485 -6.524 -5.532 1.00 0.00 C ATOM 1490 O ALA A 97 -0.033 -7.589 -5.951 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.424 -5.278 -3.316 1.00 0.00 C ATOM 0 H ALA A 97 0.386 -3.572 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 97 1.216 -6.223 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.723 -6.187 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.217 -4.681 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.311 -4.702 -3.579 1.00 0.00 H new ATOM 1497 N GLY A 98 -1.681 -6.044 -5.838 1.00 0.00 N ATOM 1498 CA GLY A 98 -2.575 -6.771 -6.724 1.00 0.00 C ATOM 1499 C GLY A 98 -3.973 -6.891 -6.114 1.00 0.00 C ATOM 1500 O GLY A 98 -4.322 -7.929 -5.553 1.00 0.00 O ATOM 0 H GLY A 98 -2.052 -5.161 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.636 -6.259 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.172 -7.765 -6.917 1.00 0.00 H new ATOM 1504 N GLY A 99 -4.736 -5.816 -6.246 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.088 -5.789 -5.715 1.00 0.00 C ATOM 1506 C GLY A 99 -7.015 -6.697 -6.526 1.00 0.00 C ATOM 1507 O GLY A 99 -6.585 -7.322 -7.495 1.00 0.00 O ATOM 0 H GLY A 99 -4.444 -4.958 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.080 -6.110 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.468 -4.768 -5.731 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.269 -6.740 -6.102 1.00 0.00 N ATOM 1512 CA ILE A 100 -9.259 -7.561 -6.777 1.00 0.00 C ATOM 1513 C ILE A 100 -10.529 -6.738 -7.002 1.00 0.00 C ATOM 1514 O ILE A 100 -10.944 -5.977 -6.129 1.00 0.00 O ATOM 1515 CB ILE A 100 -9.497 -8.859 -6.002 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.145 -8.577 -4.645 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.201 -9.660 -5.864 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.209 -9.626 -4.317 1.00 0.00 C ATOM 0 H ILE A 100 -8.622 -6.219 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.897 -7.865 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.196 -9.473 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.381 -8.573 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.597 -7.585 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.398 -10.578 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.820 -9.909 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.461 -9.065 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.654 -9.402 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.984 -9.611 -5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.749 -10.614 -4.286 1.00 0.00 H new