USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 TYR OH : rot 66:sc= 0.389 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= 0.0757 F(o=-1.6,f=-1) USER MOD Set 1.3: B 13 ASN :FLIP amide:sc= -1.49! C(o=-1.6!,f=-1!) USER MOD Set 2.1: A 70 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.2) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 CYS SG : rot -56:sc= 0.285 USER MOD Set 3.2: A 76 SER OG : rot 152:sc= 1.09 USER MOD Set 3.3: A 80 CYS SG : rot -171:sc= 1.57 USER MOD Set 3.4: A 82 THR OG1 : rot 170:sc= -0.168 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -5.05! C(o=-5!,f=-11!) USER MOD Set 4.2: A 19 THR OG1 : rot 8:sc=0.000534 USER MOD Set 4.3: A 20 LYS NZ :NH3+ 168:sc= 0.0342 (180deg=0.0111) USER MOD Single : A 16 ASN : amide:sc= -0.788 K(o=-0.79,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -134:sc= -3.97! (180deg=-6.53!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0666 K(o=-0.067,f=-0.74) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.01) USER MOD Single : A 59 TYR OH : rot 143:sc= 0.274 USER MOD Single : A 67 TYR OH : rot -126:sc= 0.372 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0864 USER MOD Single : A 73 SER OG : rot 49:sc= -1.45 USER MOD Single : A 81 GLN : amide:sc=-0.00467 X(o=-0.0047,f=-0.19) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0231 USER MOD Single : A 92 SER OG : rot -24:sc= 0.347 USER MOD Single : A 99 ASN : amide:sc= -1.68! C(o=-1.7!,f=-2.3!) USER MOD Single : A 105 MET CE :methyl 179:sc= 0 (180deg=-0.00127) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 CYS SG : rot -100:sc= -2.29! USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 17.335 12.409 -6.991 1.00 0.00 N ATOM 163 CA PRO A 14 16.401 12.147 -8.090 1.00 0.00 C ATOM 164 C PRO A 14 15.060 11.614 -7.596 1.00 0.00 C ATOM 165 O PRO A 14 14.985 10.973 -6.547 1.00 0.00 O ATOM 166 CB PRO A 14 17.123 11.087 -8.925 1.00 0.00 C ATOM 167 CG PRO A 14 18.034 10.404 -7.964 1.00 0.00 C ATOM 168 CD PRO A 14 18.457 11.455 -6.975 1.00 0.00 C ATOM 0 HA PRO A 14 16.160 13.054 -8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.418 10.385 -9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.680 11.541 -9.745 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.526 9.579 -7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.898 9.982 -8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.612 11.033 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.393 11.930 -7.269 1.00 0.00 H new ATOM 176 N ASP A 15 14.005 11.882 -8.357 1.00 0.00 N ATOM 177 CA ASP A 15 12.667 11.428 -7.997 1.00 0.00 C ATOM 178 C ASP A 15 12.546 9.915 -8.156 1.00 0.00 C ATOM 179 O ASP A 15 11.500 9.334 -7.874 1.00 0.00 O ATOM 180 CB ASP A 15 11.618 12.129 -8.860 1.00 0.00 C ATOM 181 CG ASP A 15 11.665 13.638 -8.717 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.719 14.231 -9.027 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.647 14.226 -8.296 1.00 0.00 O ATOM 0 H ASP A 15 14.050 12.412 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 15 12.493 11.681 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.773 11.861 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.626 11.771 -8.583 1.00 0.00 H new ATOM 188 N ASN A 16 13.624 9.285 -8.611 1.00 0.00 N ATOM 189 CA ASN A 16 13.638 7.840 -8.809 1.00 0.00 C ATOM 190 C ASN A 16 14.824 7.204 -8.090 1.00 0.00 C ATOM 191 O ASN A 16 15.368 6.195 -8.540 1.00 0.00 O ATOM 192 CB ASN A 16 13.695 7.510 -10.302 1.00 0.00 C ATOM 193 CG ASN A 16 14.894 8.138 -10.988 1.00 0.00 C ATOM 194 OD1 ASN A 16 16.004 8.123 -10.457 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.673 8.693 -12.173 1.00 0.00 N ATOM 0 H ASN A 16 14.499 9.752 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 16 12.719 7.431 -8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.731 6.428 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.781 7.858 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.441 9.131 -12.682 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.735 8.682 -12.575 1.00 0.00 H new ATOM 202 N HIS A 17 15.220 7.801 -6.970 1.00 0.00 N ATOM 203 CA HIS A 17 16.341 7.292 -6.188 1.00 0.00 C ATOM 204 C HIS A 17 16.048 5.886 -5.671 1.00 0.00 C ATOM 205 O HIS A 17 14.937 5.575 -5.241 1.00 0.00 O ATOM 206 CB HIS A 17 16.639 8.227 -5.016 1.00 0.00 C ATOM 207 CG HIS A 17 18.084 8.257 -4.625 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.537 7.858 -3.385 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.181 8.638 -5.320 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.850 7.995 -3.333 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.266 8.466 -4.495 1.00 0.00 N ATOM 0 H HIS A 17 14.781 8.637 -6.584 1.00 0.00 H new ATOM 0 HA HIS A 17 17.215 7.247 -6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.321 9.236 -5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 17 16.045 7.918 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.200 9.008 -6.334 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.477 7.762 -2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.235 8.669 -4.740 1.00 0.00 H new ATOM 220 N PRO A 18 17.068 5.016 -5.712 1.00 0.00 N ATOM 221 CA PRO A 18 16.945 3.630 -5.252 1.00 0.00 C ATOM 222 C PRO A 18 16.795 3.533 -3.738 1.00 0.00 C ATOM 223 O PRO A 18 16.214 2.578 -3.220 1.00 0.00 O ATOM 224 CB PRO A 18 18.260 2.988 -5.702 1.00 0.00 C ATOM 225 CG PRO A 18 19.224 4.120 -5.787 1.00 0.00 C ATOM 226 CD PRO A 18 18.420 5.318 -6.211 1.00 0.00 C ATOM 0 HA PRO A 18 16.058 3.144 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.596 2.234 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.148 2.490 -6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.707 4.294 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.015 3.906 -6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.812 6.238 -5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.430 5.446 -7.293 1.00 0.00 H new ATOM 234 N THR A 19 17.324 4.527 -3.030 1.00 0.00 N ATOM 235 CA THR A 19 17.250 4.553 -1.575 1.00 0.00 C ATOM 236 C THR A 19 16.236 5.585 -1.095 1.00 0.00 C ATOM 237 O THR A 19 15.718 5.490 0.018 1.00 0.00 O ATOM 238 CB THR A 19 18.621 4.868 -0.949 1.00 0.00 C ATOM 239 OG1 THR A 19 19.122 6.107 -1.463 1.00 0.00 O ATOM 240 CG2 THR A 19 19.617 3.754 -1.237 1.00 0.00 C ATOM 0 H THR A 19 17.808 5.325 -3.442 1.00 0.00 H new ATOM 0 HA THR A 19 16.933 3.560 -1.256 1.00 0.00 H new ATOM 0 HB THR A 19 18.492 4.949 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.428 6.543 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.578 3.999 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.247 2.818 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.740 3.646 -2.315 1.00 0.00 H new ATOM 248 N LYS A 20 15.954 6.570 -1.941 1.00 0.00 N ATOM 249 CA LYS A 20 15.000 7.619 -1.604 1.00 0.00 C ATOM 250 C LYS A 20 13.806 7.593 -2.553 1.00 0.00 C ATOM 251 O LYS A 20 13.963 7.409 -3.760 1.00 0.00 O ATOM 252 CB LYS A 20 15.678 8.990 -1.658 1.00 0.00 C ATOM 253 CG LYS A 20 16.312 9.407 -0.342 1.00 0.00 C ATOM 254 CD LYS A 20 17.648 8.718 -0.124 1.00 0.00 C ATOM 255 CE LYS A 20 18.511 9.477 0.872 1.00 0.00 C ATOM 256 NZ LYS A 20 19.591 8.621 1.436 1.00 0.00 N ATOM 0 H LYS A 20 16.373 6.663 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 20 14.641 7.438 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.444 8.977 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.942 9.739 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.453 10.488 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.638 9.165 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.481 7.703 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.175 8.635 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.954 10.344 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.886 9.853 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.274 9.216 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.178 7.927 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.077 8.121 0.664 1.00 0.00 H new ATOM 270 N PHE A 21 12.612 7.780 -2.000 1.00 0.00 N ATOM 271 CA PHE A 21 11.391 7.779 -2.797 1.00 0.00 C ATOM 272 C PHE A 21 10.476 8.931 -2.393 1.00 0.00 C ATOM 273 O PHE A 21 9.837 8.892 -1.341 1.00 0.00 O ATOM 274 CB PHE A 21 10.654 6.448 -2.638 1.00 0.00 C ATOM 275 CG PHE A 21 11.374 5.286 -3.261 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.385 4.632 -2.575 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.040 4.848 -4.533 1.00 0.00 C ATOM 278 CE1 PHE A 21 13.049 3.562 -3.145 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.701 3.779 -5.108 1.00 0.00 C ATOM 280 CZ PHE A 21 12.707 3.136 -4.414 1.00 0.00 C ATOM 0 H PHE A 21 12.464 7.934 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 21 11.670 7.910 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.507 6.248 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.664 6.534 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.657 4.962 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.255 5.348 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.834 3.060 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.431 3.447 -6.099 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.226 2.302 -4.862 1.00 0.00 H new ATOM 290 N LYS A 22 10.419 9.957 -3.235 1.00 0.00 N ATOM 291 CA LYS A 22 9.583 11.121 -2.969 1.00 0.00 C ATOM 292 C LYS A 22 8.103 10.760 -3.056 1.00 0.00 C ATOM 293 O LYS A 22 7.561 10.580 -4.146 1.00 0.00 O ATOM 294 CB LYS A 22 9.904 12.243 -3.959 1.00 0.00 C ATOM 295 CG LYS A 22 11.032 13.152 -3.503 1.00 0.00 C ATOM 296 CD LYS A 22 11.730 13.809 -4.682 1.00 0.00 C ATOM 297 CE LYS A 22 13.195 14.083 -4.381 1.00 0.00 C ATOM 298 NZ LYS A 22 13.696 15.282 -5.109 1.00 0.00 N ATOM 0 H LYS A 22 10.943 10.006 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 22 9.796 11.466 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.169 11.803 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.008 12.842 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.636 13.920 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.755 12.575 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.652 13.164 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.227 14.744 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.324 14.229 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.792 13.214 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.698 15.435 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.596 15.133 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.144 16.116 -4.825 1.00 0.00 H new ATOM 312 N VAL A 23 7.455 10.657 -1.900 1.00 0.00 N ATOM 313 CA VAL A 23 6.037 10.320 -1.846 1.00 0.00 C ATOM 314 C VAL A 23 5.196 11.537 -1.478 1.00 0.00 C ATOM 315 O VAL A 23 5.726 12.572 -1.071 1.00 0.00 O ATOM 316 CB VAL A 23 5.766 9.196 -0.828 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.508 7.928 -1.222 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.159 9.640 0.573 1.00 0.00 C ATOM 0 H VAL A 23 7.889 10.802 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 23 5.756 9.975 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 23 4.698 8.978 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.304 7.145 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.173 7.601 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.579 8.127 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.961 8.834 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.221 9.886 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.578 10.518 0.853 1.00 0.00 H new ATOM 328 N THR A 24 3.881 11.407 -1.624 1.00 0.00 N ATOM 329 CA THR A 24 2.966 12.497 -1.308 1.00 0.00 C ATOM 330 C THR A 24 1.790 12.002 -0.474 1.00 0.00 C ATOM 331 O THR A 24 0.890 11.338 -0.986 1.00 0.00 O ATOM 332 CB THR A 24 2.428 13.167 -2.586 1.00 0.00 C ATOM 333 OG1 THR A 24 3.505 13.767 -3.315 1.00 0.00 O ATOM 334 CG2 THR A 24 1.389 14.225 -2.246 1.00 0.00 C ATOM 0 H THR A 24 3.426 10.558 -1.959 1.00 0.00 H new ATOM 0 HA THR A 24 3.533 13.230 -0.734 1.00 0.00 H new ATOM 0 HB THR A 24 1.956 12.400 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.155 14.189 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.024 14.684 -3.164 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.557 13.761 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.841 14.989 -1.613 1.00 0.00 H new ATOM 342 N ASN A 25 1.804 12.332 0.814 1.00 0.00 N ATOM 343 CA ASN A 25 0.737 11.920 1.719 1.00 0.00 C ATOM 344 C ASN A 25 -0.617 12.423 1.228 1.00 0.00 C ATOM 345 O ASN A 25 -0.785 13.608 0.940 1.00 0.00 O ATOM 346 CB ASN A 25 1.007 12.446 3.130 1.00 0.00 C ATOM 347 CG ASN A 25 -0.269 12.659 3.922 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.601 13.784 4.294 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.991 11.575 4.183 1.00 0.00 N ATOM 0 H ASN A 25 2.541 12.883 1.254 1.00 0.00 H new ATOM 0 HA ASN A 25 0.714 10.830 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.648 11.742 3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.553 13.387 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.859 11.656 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.677 10.662 3.855 1.00 0.00 H new ATOM 356 N VAL A 26 -1.582 11.513 1.135 1.00 0.00 N ATOM 357 CA VAL A 26 -2.922 11.863 0.681 1.00 0.00 C ATOM 358 C VAL A 26 -3.982 11.355 1.652 1.00 0.00 C ATOM 359 O VAL A 26 -3.673 10.642 2.606 1.00 0.00 O ATOM 360 CB VAL A 26 -3.208 11.290 -0.720 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.267 11.900 -1.748 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.089 9.774 -0.709 1.00 0.00 C ATOM 0 H VAL A 26 -1.460 10.528 1.368 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.966 12.951 0.636 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.229 11.549 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.484 11.484 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.406 12.981 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.236 11.673 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.294 9.386 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.080 9.490 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.807 9.358 -0.003 1.00 0.00 H new ATOM 372 N ASP A 27 -5.233 11.726 1.401 1.00 0.00 N ATOM 373 CA ASP A 27 -6.340 11.306 2.252 1.00 0.00 C ATOM 374 C ASP A 27 -7.150 10.200 1.583 1.00 0.00 C ATOM 375 O ASP A 27 -6.783 9.706 0.517 1.00 0.00 O ATOM 376 CB ASP A 27 -7.246 12.497 2.571 1.00 0.00 C ATOM 377 CG ASP A 27 -8.316 12.709 1.517 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.967 12.757 0.319 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.502 12.828 1.891 1.00 0.00 O ATOM 0 H ASP A 27 -5.506 12.317 0.615 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.924 10.916 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.720 12.340 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.640 13.399 2.656 1.00 0.00 H new ATOM 384 N ASP A 28 -8.252 9.814 2.218 1.00 0.00 N ATOM 385 CA ASP A 28 -9.114 8.766 1.685 1.00 0.00 C ATOM 386 C ASP A 28 -9.562 9.100 0.265 1.00 0.00 C ATOM 387 O ASP A 28 -9.592 8.233 -0.607 1.00 0.00 O ATOM 388 CB ASP A 28 -10.334 8.572 2.586 1.00 0.00 C ATOM 389 CG ASP A 28 -10.743 9.852 3.289 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.964 10.866 2.595 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.843 9.839 4.534 1.00 0.00 O ATOM 0 H ASP A 28 -8.569 10.211 3.102 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.542 7.839 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.169 8.206 1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.115 7.806 3.330 1.00 0.00 H new ATOM 396 N GLU A 29 -9.912 10.364 0.043 1.00 0.00 N ATOM 397 CA GLU A 29 -10.361 10.811 -1.271 1.00 0.00 C ATOM 398 C GLU A 29 -9.239 10.692 -2.299 1.00 0.00 C ATOM 399 O GLU A 29 -9.480 10.371 -3.462 1.00 0.00 O ATOM 400 CB GLU A 29 -10.851 12.259 -1.201 1.00 0.00 C ATOM 401 CG GLU A 29 -11.949 12.480 -0.173 1.00 0.00 C ATOM 402 CD GLU A 29 -13.337 12.287 -0.751 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.651 12.938 -1.770 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.109 11.485 -0.186 1.00 0.00 O ATOM 0 H GLU A 29 -9.893 11.095 0.754 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.186 10.170 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.008 12.908 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.218 12.558 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.807 11.790 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.865 13.489 0.232 1.00 0.00 H new ATOM 411 N GLY A 30 -8.012 10.953 -1.860 1.00 0.00 N ATOM 412 CA GLY A 30 -6.871 10.870 -2.753 1.00 0.00 C ATOM 413 C GLY A 30 -6.267 12.229 -3.049 1.00 0.00 C ATOM 414 O GLY A 30 -5.618 12.417 -4.078 1.00 0.00 O ATOM 0 H GLY A 30 -7.787 11.221 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.111 10.227 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.178 10.401 -3.688 1.00 0.00 H new ATOM 418 N VAL A 31 -6.481 13.179 -2.144 1.00 0.00 N ATOM 419 CA VAL A 31 -5.952 14.528 -2.313 1.00 0.00 C ATOM 420 C VAL A 31 -4.507 14.616 -1.835 1.00 0.00 C ATOM 421 O VAL A 31 -4.023 13.733 -1.129 1.00 0.00 O ATOM 422 CB VAL A 31 -6.799 15.562 -1.548 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.265 15.443 -1.934 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.619 15.391 -0.047 1.00 0.00 C ATOM 0 H VAL A 31 -7.016 13.040 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.993 14.753 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.457 16.560 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.847 16.182 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.375 15.619 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.625 14.443 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.224 16.130 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.934 14.389 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.570 15.532 0.212 1.00 0.00 H new ATOM 434 N GLU A 32 -3.825 15.688 -2.225 1.00 0.00 N ATOM 435 CA GLU A 32 -2.435 15.891 -1.836 1.00 0.00 C ATOM 436 C GLU A 32 -2.336 16.830 -0.637 1.00 0.00 C ATOM 437 O GLU A 32 -2.587 18.030 -0.752 1.00 0.00 O ATOM 438 CB GLU A 32 -1.631 16.458 -3.008 1.00 0.00 C ATOM 439 CG GLU A 32 -1.735 15.626 -4.276 1.00 0.00 C ATOM 440 CD GLU A 32 -0.945 16.217 -5.428 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.298 16.100 -5.416 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.570 16.797 -6.340 1.00 0.00 O ATOM 0 H GLU A 32 -4.212 16.429 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.020 14.924 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.976 17.470 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.583 16.532 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.376 14.617 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.783 15.540 -4.565 1.00 0.00 H new ATOM 449 N LEU A 33 -1.971 16.275 0.513 1.00 0.00 N ATOM 450 CA LEU A 33 -1.840 17.061 1.735 1.00 0.00 C ATOM 451 C LEU A 33 -0.433 17.636 1.864 1.00 0.00 C ATOM 452 O LEU A 33 -0.247 18.852 1.881 1.00 0.00 O ATOM 453 CB LEU A 33 -2.165 16.200 2.956 1.00 0.00 C ATOM 454 CG LEU A 33 -3.462 15.393 2.883 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.627 14.533 4.126 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.657 16.319 2.710 1.00 0.00 C ATOM 0 H LEU A 33 -1.760 15.283 0.625 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.548 17.888 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.339 15.508 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.213 16.849 3.831 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.409 14.735 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.555 13.966 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.786 13.844 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.658 15.172 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.571 15.728 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.713 17.003 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.544 16.891 1.789 1.00 0.00 H new ATOM 468 N GLY A 34 0.557 16.752 1.953 1.00 0.00 N ATOM 469 CA GLY A 34 1.934 17.190 2.077 1.00 0.00 C ATOM 470 C GLY A 34 2.909 16.231 1.424 1.00 0.00 C ATOM 471 O GLY A 34 2.615 15.046 1.268 1.00 0.00 O ATOM 0 H GLY A 34 0.429 15.740 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.041 18.176 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.185 17.295 3.133 1.00 0.00 H new ATOM 475 N SER A 35 4.074 16.743 1.039 1.00 0.00 N ATOM 476 CA SER A 35 5.094 15.925 0.394 1.00 0.00 C ATOM 477 C SER A 35 5.993 15.260 1.432 1.00 0.00 C ATOM 478 O SER A 35 6.091 15.718 2.569 1.00 0.00 O ATOM 479 CB SER A 35 5.936 16.777 -0.556 1.00 0.00 C ATOM 480 OG SER A 35 6.625 17.796 0.148 1.00 0.00 O ATOM 0 H SER A 35 4.335 17.721 1.163 1.00 0.00 H new ATOM 0 HA SER A 35 4.591 15.146 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.653 16.144 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.294 17.225 -1.314 1.00 0.00 H new ATOM 0 HG SER A 35 7.158 18.326 -0.481 1.00 0.00 H new ATOM 486 N GLY A 36 6.648 14.175 1.030 1.00 0.00 N ATOM 487 CA GLY A 36 7.531 13.463 1.935 1.00 0.00 C ATOM 488 C GLY A 36 8.490 12.543 1.207 1.00 0.00 C ATOM 489 O GLY A 36 8.301 12.246 0.027 1.00 0.00 O ATOM 0 H GLY A 36 6.583 13.776 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.100 14.183 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.934 12.879 2.636 1.00 0.00 H new ATOM 493 N VAL A 37 9.524 12.091 1.909 1.00 0.00 N ATOM 494 CA VAL A 37 10.517 11.200 1.322 1.00 0.00 C ATOM 495 C VAL A 37 10.602 9.888 2.093 1.00 0.00 C ATOM 496 O VAL A 37 10.891 9.877 3.289 1.00 0.00 O ATOM 497 CB VAL A 37 11.911 11.855 1.290 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.936 10.902 0.697 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.868 13.159 0.508 1.00 0.00 C ATOM 0 H VAL A 37 9.696 12.328 2.886 1.00 0.00 H new ATOM 0 HA VAL A 37 10.195 10.998 0.300 1.00 0.00 H new ATOM 0 HB VAL A 37 12.211 12.081 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.914 11.383 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.985 9.997 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.645 10.642 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.861 13.609 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.547 12.960 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.165 13.844 0.982 1.00 0.00 H new ATOM 509 N MET A 38 10.349 8.783 1.400 1.00 0.00 N ATOM 510 CA MET A 38 10.399 7.464 2.020 1.00 0.00 C ATOM 511 C MET A 38 11.730 6.777 1.729 1.00 0.00 C ATOM 512 O MET A 38 12.229 6.821 0.606 1.00 0.00 O ATOM 513 CB MET A 38 9.244 6.596 1.517 1.00 0.00 C ATOM 514 CG MET A 38 9.219 5.204 2.126 1.00 0.00 C ATOM 515 SD MET A 38 7.562 4.494 2.171 1.00 0.00 S ATOM 516 CE MET A 38 6.729 5.649 3.258 1.00 0.00 C ATOM 0 H MET A 38 10.107 8.774 0.409 1.00 0.00 H new ATOM 0 HA MET A 38 10.304 7.593 3.098 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.301 7.097 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.312 6.508 0.433 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.875 4.549 1.553 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.619 5.248 3.139 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.148 5.098 3.997 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.468 6.269 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.064 6.284 2.673 1.00 0.00 H new ATOM 526 N GLU A 39 12.298 6.142 2.750 1.00 0.00 N ATOM 527 CA GLU A 39 13.572 5.447 2.603 1.00 0.00 C ATOM 528 C GLU A 39 13.412 3.955 2.876 1.00 0.00 C ATOM 529 O GLU A 39 12.832 3.555 3.886 1.00 0.00 O ATOM 530 CB GLU A 39 14.615 6.041 3.552 1.00 0.00 C ATOM 531 CG GLU A 39 16.010 5.470 3.357 1.00 0.00 C ATOM 532 CD GLU A 39 17.067 6.240 4.125 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.809 6.601 5.292 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.154 6.480 3.558 1.00 0.00 O ATOM 0 H GLU A 39 11.897 6.095 3.687 1.00 0.00 H new ATOM 0 HA GLU A 39 13.911 5.577 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.650 7.121 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.300 5.865 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.020 4.428 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.258 5.480 2.296 1.00 0.00 H new ATOM 541 N LEU A 40 13.929 3.135 1.968 1.00 0.00 N ATOM 542 CA LEU A 40 13.844 1.685 2.109 1.00 0.00 C ATOM 543 C LEU A 40 15.198 1.095 2.490 1.00 0.00 C ATOM 544 O LEU A 40 16.005 0.753 1.625 1.00 0.00 O ATOM 545 CB LEU A 40 13.349 1.054 0.806 1.00 0.00 C ATOM 546 CG LEU A 40 11.833 0.914 0.662 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.203 2.253 0.312 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.492 -0.130 -0.391 1.00 0.00 C ATOM 0 H LEU A 40 14.412 3.449 1.126 1.00 0.00 H new ATOM 0 HA LEU A 40 13.134 1.463 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.719 1.651 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.796 0.064 0.712 1.00 0.00 H new ATOM 0 HG LEU A 40 11.426 0.584 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.124 2.133 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.418 2.973 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.615 2.614 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.409 -0.217 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.912 0.170 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.910 -1.093 -0.097 1.00 0.00 H new ATOM 560 N THR A 41 15.439 0.975 3.792 1.00 0.00 N ATOM 561 CA THR A 41 16.694 0.424 4.289 1.00 0.00 C ATOM 562 C THR A 41 16.444 -0.710 5.276 1.00 0.00 C ATOM 563 O THR A 41 15.522 -0.645 6.089 1.00 0.00 O ATOM 564 CB THR A 41 17.550 1.507 4.974 1.00 0.00 C ATOM 565 OG1 THR A 41 18.516 0.895 5.835 1.00 0.00 O ATOM 566 CG2 THR A 41 16.677 2.459 5.777 1.00 0.00 C ATOM 0 H THR A 41 14.782 1.252 4.521 1.00 0.00 H new ATOM 0 HA THR A 41 17.234 0.037 3.425 1.00 0.00 H new ATOM 0 HB THR A 41 18.064 2.077 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.057 1.590 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.303 3.215 6.251 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.962 2.945 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.139 1.901 6.543 1.00 0.00 H new ATOM 574 N GLN A 42 17.272 -1.747 5.201 1.00 0.00 N ATOM 575 CA GLN A 42 17.140 -2.896 6.089 1.00 0.00 C ATOM 576 C GLN A 42 16.674 -2.461 7.475 1.00 0.00 C ATOM 577 O GLN A 42 15.774 -3.068 8.056 1.00 0.00 O ATOM 578 CB GLN A 42 18.472 -3.640 6.196 1.00 0.00 C ATOM 579 CG GLN A 42 18.774 -4.523 4.996 1.00 0.00 C ATOM 580 CD GLN A 42 17.926 -5.779 4.967 1.00 0.00 C ATOM 581 OE1 GLN A 42 17.662 -6.388 6.005 1.00 0.00 O ATOM 582 NE2 GLN A 42 17.493 -6.175 3.776 1.00 0.00 N ATOM 0 H GLN A 42 18.041 -1.815 4.535 1.00 0.00 H new ATOM 0 HA GLN A 42 16.391 -3.566 5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.276 -2.913 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.464 -4.255 7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.607 -3.955 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.828 -4.801 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.735 -5.641 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.918 -7.014 3.695 1.00 0.00 H new ATOM 591 N SER A 43 17.292 -1.408 7.999 1.00 0.00 N ATOM 592 CA SER A 43 16.943 -0.895 9.318 1.00 0.00 C ATOM 593 C SER A 43 15.431 -0.753 9.464 1.00 0.00 C ATOM 594 O SER A 43 14.792 -1.518 10.185 1.00 0.00 O ATOM 595 CB SER A 43 17.620 0.456 9.559 1.00 0.00 C ATOM 596 OG SER A 43 18.962 0.287 9.979 1.00 0.00 O ATOM 0 H SER A 43 18.037 -0.893 7.530 1.00 0.00 H new ATOM 0 HA SER A 43 17.296 -1.608 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.594 1.047 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.067 1.014 10.315 1.00 0.00 H new ATOM 0 HG SER A 43 19.372 1.165 10.124 1.00 0.00 H new ATOM 602 N GLU A 44 14.867 0.233 8.773 1.00 0.00 N ATOM 603 CA GLU A 44 13.430 0.476 8.826 1.00 0.00 C ATOM 604 C GLU A 44 13.026 1.567 7.839 1.00 0.00 C ATOM 605 O GLU A 44 13.877 2.181 7.192 1.00 0.00 O ATOM 606 CB GLU A 44 13.009 0.874 10.242 1.00 0.00 C ATOM 607 CG GLU A 44 13.608 2.190 10.708 1.00 0.00 C ATOM 608 CD GLU A 44 15.029 2.037 11.215 1.00 0.00 C ATOM 609 OE1 GLU A 44 15.351 0.961 11.762 1.00 0.00 O ATOM 610 OE2 GLU A 44 15.819 2.993 11.066 1.00 0.00 O ATOM 0 H GLU A 44 15.382 0.875 8.171 1.00 0.00 H new ATOM 0 HA GLU A 44 12.921 -0.447 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.922 0.945 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.303 0.085 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.595 2.903 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.987 2.608 11.500 1.00 0.00 H new ATOM 617 N LEU A 45 11.724 1.804 7.727 1.00 0.00 N ATOM 618 CA LEU A 45 11.206 2.821 6.819 1.00 0.00 C ATOM 619 C LEU A 45 11.156 4.185 7.499 1.00 0.00 C ATOM 620 O LEU A 45 10.702 4.307 8.637 1.00 0.00 O ATOM 621 CB LEU A 45 9.810 2.432 6.329 1.00 0.00 C ATOM 622 CG LEU A 45 9.756 1.609 5.041 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.405 0.924 4.902 1.00 0.00 C ATOM 624 CD2 LEU A 45 10.036 2.490 3.833 1.00 0.00 C ATOM 0 H LEU A 45 11.007 1.305 8.254 1.00 0.00 H new ATOM 0 HA LEU A 45 11.880 2.886 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.314 1.867 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.232 3.344 6.178 1.00 0.00 H new ATOM 0 HG LEU A 45 10.527 0.840 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.385 0.343 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.244 0.261 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.617 1.676 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.993 1.888 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.288 3.281 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.027 2.933 3.928 1.00 0.00 H new ATOM 636 N VAL A 46 11.625 5.210 6.794 1.00 0.00 N ATOM 637 CA VAL A 46 11.631 6.566 7.329 1.00 0.00 C ATOM 638 C VAL A 46 10.951 7.538 6.371 1.00 0.00 C ATOM 639 O VAL A 46 11.088 7.424 5.152 1.00 0.00 O ATOM 640 CB VAL A 46 13.066 7.054 7.604 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.047 8.430 8.253 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.810 6.055 8.477 1.00 0.00 C ATOM 0 H VAL A 46 12.006 5.127 5.851 1.00 0.00 H new ATOM 0 HA VAL A 46 11.078 6.538 8.268 1.00 0.00 H new ATOM 0 HB VAL A 46 13.592 7.134 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.069 8.758 8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.554 9.139 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.504 8.380 9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.822 6.416 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.287 5.941 9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.855 5.091 7.970 1.00 0.00 H new ATOM 652 N LEU A 47 10.217 8.494 6.929 1.00 0.00 N ATOM 653 CA LEU A 47 9.514 9.487 6.124 1.00 0.00 C ATOM 654 C LEU A 47 9.949 10.900 6.501 1.00 0.00 C ATOM 655 O LEU A 47 9.888 11.289 7.668 1.00 0.00 O ATOM 656 CB LEU A 47 8.002 9.342 6.305 1.00 0.00 C ATOM 657 CG LEU A 47 7.309 8.337 5.384 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.858 8.148 5.796 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.400 8.792 3.935 1.00 0.00 C ATOM 0 H LEU A 47 10.093 8.603 7.936 1.00 0.00 H new ATOM 0 HA LEU A 47 9.767 9.315 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.806 9.053 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.543 10.319 6.154 1.00 0.00 H new ATOM 0 HG LEU A 47 7.818 7.378 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.381 7.430 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.816 7.776 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.335 9.102 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.902 8.065 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.916 9.763 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.447 8.874 3.645 1.00 0.00 H new ATOM 671 N HIS A 48 10.387 11.664 5.505 1.00 0.00 N ATOM 672 CA HIS A 48 10.830 13.035 5.732 1.00 0.00 C ATOM 673 C HIS A 48 9.784 14.032 5.241 1.00 0.00 C ATOM 674 O HIS A 48 9.691 14.314 4.046 1.00 0.00 O ATOM 675 CB HIS A 48 12.161 13.287 5.024 1.00 0.00 C ATOM 676 CG HIS A 48 13.241 12.327 5.421 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.376 12.711 6.104 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.353 10.992 5.229 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.140 11.655 6.313 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.542 10.598 5.792 1.00 0.00 N ATOM 0 H HIS A 48 10.445 11.357 4.534 1.00 0.00 H new ATOM 0 HA HIS A 48 10.965 13.174 6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.008 13.224 3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.492 14.303 5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.640 10.355 4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.092 11.655 6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.905 9.645 5.806 1.00 0.00 H new ATOM 689 N LEU A 49 8.997 14.562 6.171 1.00 0.00 N ATOM 690 CA LEU A 49 7.956 15.527 5.834 1.00 0.00 C ATOM 691 C LEU A 49 7.997 16.724 6.779 1.00 0.00 C ATOM 692 O LEU A 49 7.252 16.780 7.758 1.00 0.00 O ATOM 693 CB LEU A 49 6.579 14.864 5.892 1.00 0.00 C ATOM 694 CG LEU A 49 6.254 14.103 7.178 1.00 0.00 C ATOM 695 CD1 LEU A 49 4.752 14.068 7.412 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.820 12.691 7.120 1.00 0.00 C ATOM 0 H LEU A 49 9.060 14.340 7.165 1.00 0.00 H new ATOM 0 HA LEU A 49 8.139 15.881 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.821 15.634 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.495 14.173 5.053 1.00 0.00 H new ATOM 0 HG LEU A 49 6.719 14.625 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.540 13.522 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.373 15.086 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.265 13.570 6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.579 12.164 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.384 12.159 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.902 12.738 7.001 1.00 0.00 H new ATOM 789 N ALA A 54 9.583 13.694 11.257 1.00 0.00 N ATOM 790 CA ALA A 54 10.008 12.408 10.719 1.00 0.00 C ATOM 791 C ALA A 54 9.369 11.254 11.485 1.00 0.00 C ATOM 792 O ALA A 54 9.033 11.388 12.662 1.00 0.00 O ATOM 793 CB ALA A 54 11.524 12.293 10.758 1.00 0.00 C ATOM 0 HA ALA A 54 9.677 12.350 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.826 11.327 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.965 13.091 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.869 12.378 11.788 1.00 0.00 H new ATOM 799 N VAL A 55 9.203 10.121 10.810 1.00 0.00 N ATOM 800 CA VAL A 55 8.605 8.944 11.428 1.00 0.00 C ATOM 801 C VAL A 55 9.287 7.666 10.952 1.00 0.00 C ATOM 802 O VAL A 55 9.725 7.575 9.805 1.00 0.00 O ATOM 803 CB VAL A 55 7.098 8.853 11.121 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.423 7.851 12.045 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.447 10.223 11.240 1.00 0.00 C ATOM 0 H VAL A 55 9.474 9.994 9.835 1.00 0.00 H new ATOM 0 HA VAL A 55 8.744 9.047 12.504 1.00 0.00 H new ATOM 0 HB VAL A 55 6.975 8.505 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.359 7.801 11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.872 6.867 11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.554 8.165 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.383 10.140 11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.580 10.602 12.253 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.912 10.909 10.532 1.00 0.00 H new ATOM 815 N ARG A 56 9.373 6.682 11.840 1.00 0.00 N ATOM 816 CA ARG A 56 10.003 5.409 11.511 1.00 0.00 C ATOM 817 C ARG A 56 9.014 4.257 11.666 1.00 0.00 C ATOM 818 O ARG A 56 8.127 4.298 12.518 1.00 0.00 O ATOM 819 CB ARG A 56 11.222 5.172 12.405 1.00 0.00 C ATOM 820 CG ARG A 56 12.269 6.270 12.310 1.00 0.00 C ATOM 821 CD ARG A 56 13.071 6.387 13.596 1.00 0.00 C ATOM 822 NE ARG A 56 14.423 6.886 13.355 1.00 0.00 N ATOM 823 CZ ARG A 56 14.688 8.115 12.928 1.00 0.00 C ATOM 824 NH1 ARG A 56 13.699 8.968 12.697 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.944 8.495 12.732 1.00 0.00 N ATOM 0 H ARG A 56 9.014 6.741 12.793 1.00 0.00 H new ATOM 0 HA ARG A 56 10.326 5.451 10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.892 5.085 13.440 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.680 4.220 12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.942 6.062 11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.782 7.221 12.096 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.555 7.056 14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.125 5.411 14.079 1.00 0.00 H new ATOM 0 HE ARG A 56 15.207 6.255 13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.732 8.680 12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.905 9.912 12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.708 7.843 12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.146 9.439 12.404 1.00 0.00 H new ATOM 839 N TRP A 57 9.174 3.232 10.837 1.00 0.00 N ATOM 840 CA TRP A 57 8.295 2.069 10.881 1.00 0.00 C ATOM 841 C TRP A 57 9.098 0.776 10.786 1.00 0.00 C ATOM 842 O TRP A 57 9.692 0.461 9.754 1.00 0.00 O ATOM 843 CB TRP A 57 7.272 2.134 9.745 1.00 0.00 C ATOM 844 CG TRP A 57 6.244 3.208 9.933 1.00 0.00 C ATOM 845 CD1 TRP A 57 5.094 3.123 10.664 1.00 0.00 C ATOM 846 CD2 TRP A 57 6.273 4.528 9.378 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.405 4.310 10.597 1.00 0.00 N ATOM 848 CE2 TRP A 57 5.108 5.189 9.815 1.00 0.00 C ATOM 849 CE3 TRP A 57 7.170 5.216 8.557 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.819 6.502 9.456 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.881 6.520 8.202 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.715 7.152 8.651 1.00 0.00 C ATOM 0 H TRP A 57 9.904 3.182 10.126 1.00 0.00 H new ATOM 0 HA TRP A 57 7.768 2.078 11.835 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.795 2.302 8.804 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.769 1.170 9.662 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.773 2.251 11.214 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.515 4.505 11.055 1.00 0.00 H new ATOM 0 HE3 TRP A 57 8.073 4.738 8.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.920 6.991 9.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.567 7.061 7.567 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.519 8.172 8.356 1.00 0.00 H new ATOM 863 N PRO A 58 9.117 0.008 11.885 1.00 0.00 N ATOM 864 CA PRO A 58 9.843 -1.264 11.949 1.00 0.00 C ATOM 865 C PRO A 58 9.198 -2.344 11.087 1.00 0.00 C ATOM 866 O PRO A 58 8.054 -2.736 11.319 1.00 0.00 O ATOM 867 CB PRO A 58 9.763 -1.643 13.430 1.00 0.00 C ATOM 868 CG PRO A 58 8.539 -0.959 13.931 1.00 0.00 C ATOM 869 CD PRO A 58 8.431 0.322 13.150 1.00 0.00 C ATOM 0 HA PRO A 58 10.862 -1.171 11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.694 -2.723 13.559 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.650 -1.314 13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.656 -1.581 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.613 -0.759 15.000 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.392 0.605 12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.908 1.152 13.671 1.00 0.00 H new ATOM 877 N TYR A 59 9.939 -2.821 10.093 1.00 0.00 N ATOM 878 CA TYR A 59 9.438 -3.855 9.195 1.00 0.00 C ATOM 879 C TYR A 59 8.617 -4.889 9.959 1.00 0.00 C ATOM 880 O TYR A 59 7.703 -5.504 9.408 1.00 0.00 O ATOM 881 CB TYR A 59 10.600 -4.540 8.474 1.00 0.00 C ATOM 882 CG TYR A 59 11.276 -3.663 7.445 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.531 -2.873 6.579 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.661 -3.623 7.340 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.145 -2.071 5.637 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.284 -2.823 6.402 1.00 0.00 C ATOM 887 CZ TYR A 59 12.522 -2.049 5.553 1.00 0.00 C ATOM 888 OH TYR A 59 13.137 -1.250 4.617 1.00 0.00 O ATOM 0 H TYR A 59 10.888 -2.508 9.889 1.00 0.00 H new ATOM 0 HA TYR A 59 8.792 -3.379 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.338 -4.856 9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.232 -5.442 7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.453 -2.886 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.261 -4.228 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.551 -1.464 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.362 -2.804 6.334 1.00 0.00 H new ATOM 0 HH TYR A 59 13.958 -0.873 4.997 1.00 0.00 H new ATOM 898 N LEU A 60 8.950 -5.076 11.231 1.00 0.00 N ATOM 899 CA LEU A 60 8.244 -6.035 12.074 1.00 0.00 C ATOM 900 C LEU A 60 6.757 -5.703 12.150 1.00 0.00 C ATOM 901 O LEU A 60 5.906 -6.565 11.926 1.00 0.00 O ATOM 902 CB LEU A 60 8.847 -6.050 13.480 1.00 0.00 C ATOM 903 CG LEU A 60 9.965 -7.065 13.720 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.867 -6.608 14.855 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.382 -8.439 14.019 1.00 0.00 C ATOM 0 H LEU A 60 9.704 -4.576 11.702 1.00 0.00 H new ATOM 0 HA LEU A 60 8.354 -7.023 11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.234 -5.055 13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.047 -6.245 14.195 1.00 0.00 H new ATOM 0 HG LEU A 60 10.566 -7.136 12.813 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.656 -7.343 15.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.312 -5.646 14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.280 -6.507 15.768 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.192 -9.149 14.187 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.757 -8.383 14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.779 -8.770 13.174 1.00 0.00 H new ATOM 917 N CYS A 61 6.452 -4.449 12.464 1.00 0.00 N ATOM 918 CA CYS A 61 5.067 -4.003 12.568 1.00 0.00 C ATOM 919 C CYS A 61 4.361 -4.103 11.220 1.00 0.00 C ATOM 920 O CYS A 61 3.166 -4.395 11.153 1.00 0.00 O ATOM 921 CB CYS A 61 5.011 -2.563 13.081 1.00 0.00 C ATOM 922 SG CYS A 61 5.366 -1.316 11.820 1.00 0.00 S ATOM 0 H CYS A 61 7.144 -3.724 12.651 1.00 0.00 H new ATOM 0 HA CYS A 61 4.553 -4.654 13.276 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.020 -2.374 13.495 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.724 -2.452 13.898 1.00 0.00 H new ATOM 0 HG CYS A 61 6.530 -1.553 11.291 1.00 0.00 H new ATOM 928 N LEU A 62 5.106 -3.858 10.148 1.00 0.00 N ATOM 929 CA LEU A 62 4.552 -3.919 8.800 1.00 0.00 C ATOM 930 C LEU A 62 4.000 -5.309 8.501 1.00 0.00 C ATOM 931 O LEU A 62 4.758 -6.264 8.326 1.00 0.00 O ATOM 932 CB LEU A 62 5.620 -3.549 7.770 1.00 0.00 C ATOM 933 CG LEU A 62 5.846 -2.054 7.544 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.909 -1.829 6.480 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.543 -1.372 7.151 1.00 0.00 C ATOM 0 H LEU A 62 6.096 -3.615 10.186 1.00 0.00 H new ATOM 0 HA LEU A 62 3.734 -3.202 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.565 -3.996 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.350 -4.003 6.817 1.00 0.00 H new ATOM 0 HG LEU A 62 6.197 -1.614 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.056 -0.759 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.847 -2.283 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.587 -2.283 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.722 -0.308 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.163 -1.816 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.809 -1.503 7.947 1.00 0.00 H new ATOM 947 N ARG A 63 2.677 -5.415 8.441 1.00 0.00 N ATOM 948 CA ARG A 63 2.024 -6.688 8.161 1.00 0.00 C ATOM 949 C ARG A 63 1.355 -6.667 6.790 1.00 0.00 C ATOM 950 O ARG A 63 1.606 -7.533 5.952 1.00 0.00 O ATOM 951 CB ARG A 63 0.987 -7.002 9.241 1.00 0.00 C ATOM 952 CG ARG A 63 0.148 -8.233 8.941 1.00 0.00 C ATOM 953 CD ARG A 63 -0.747 -8.598 10.115 1.00 0.00 C ATOM 954 NE ARG A 63 -1.802 -9.531 9.730 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.621 -10.842 9.623 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.432 -11.373 9.872 1.00 0.00 N ATOM 957 NH2 ARG A 63 -2.631 -11.626 9.268 1.00 0.00 N ATOM 0 H ARG A 63 2.036 -4.634 8.583 1.00 0.00 H new ATOM 0 HA ARG A 63 2.787 -7.466 8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.498 -7.145 10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.327 -6.143 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.465 -8.050 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.803 -9.072 8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.143 -9.041 10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.195 -7.693 10.524 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.729 -9.155 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.347 -10.774 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.296 -12.380 9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.548 -11.222 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.491 -12.633 9.186 1.00 0.00 H new ATOM 971 N ARG A 64 0.502 -5.672 6.569 1.00 0.00 N ATOM 972 CA ARG A 64 -0.205 -5.538 5.301 1.00 0.00 C ATOM 973 C ARG A 64 0.379 -4.399 4.471 1.00 0.00 C ATOM 974 O ARG A 64 0.156 -3.225 4.766 1.00 0.00 O ATOM 975 CB ARG A 64 -1.695 -5.294 5.546 1.00 0.00 C ATOM 976 CG ARG A 64 -2.364 -4.469 4.459 1.00 0.00 C ATOM 977 CD ARG A 64 -3.828 -4.845 4.296 1.00 0.00 C ATOM 978 NE ARG A 64 -4.676 -4.184 5.284 1.00 0.00 N ATOM 979 CZ ARG A 64 -6.000 -4.291 5.306 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.624 -5.030 4.398 1.00 0.00 N ATOM 981 NH2 ARG A 64 -6.703 -3.660 6.237 1.00 0.00 N ATOM 0 H ARG A 64 0.284 -4.947 7.252 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.083 -6.468 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.203 -6.255 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.819 -4.787 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.284 -3.410 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.842 -4.618 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.162 -4.576 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.937 -5.925 4.389 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.227 -3.608 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.087 -5.518 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.641 -5.111 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.227 -3.091 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.719 -3.743 6.252 1.00 0.00 H new ATOM 995 N TYR A 65 1.126 -4.754 3.432 1.00 0.00 N ATOM 996 CA TYR A 65 1.745 -3.762 2.560 1.00 0.00 C ATOM 997 C TYR A 65 1.572 -4.142 1.093 1.00 0.00 C ATOM 998 O TYR A 65 2.096 -5.157 0.637 1.00 0.00 O ATOM 999 CB TYR A 65 3.231 -3.618 2.890 1.00 0.00 C ATOM 1000 CG TYR A 65 4.030 -4.878 2.644 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.013 -5.924 3.558 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.803 -5.022 1.499 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.742 -7.077 3.338 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.534 -6.171 1.270 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.501 -7.196 2.193 1.00 0.00 C ATOM 1006 OH TYR A 65 6.228 -8.342 1.969 1.00 0.00 O ATOM 0 H TYR A 65 1.318 -5.722 3.173 1.00 0.00 H new ATOM 0 HA TYR A 65 1.248 -2.807 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.651 -2.809 2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.336 -3.329 3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.420 -5.834 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.833 -4.221 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.717 -7.881 4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.128 -6.267 0.373 1.00 0.00 H new ATOM 0 HH TYR A 65 5.617 -9.098 1.842 1.00 0.00 H new ATOM 1016 N GLY A 66 0.833 -3.317 0.357 1.00 0.00 N ATOM 1017 CA GLY A 66 0.604 -3.582 -1.051 1.00 0.00 C ATOM 1018 C GLY A 66 0.933 -2.390 -1.927 1.00 0.00 C ATOM 1019 O GLY A 66 1.761 -1.554 -1.563 1.00 0.00 O ATOM 0 H GLY A 66 0.389 -2.470 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.209 -4.434 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.439 -3.861 -1.200 1.00 0.00 H new ATOM 1023 N TYR A 67 0.286 -2.311 -3.084 1.00 0.00 N ATOM 1024 CA TYR A 67 0.518 -1.214 -4.016 1.00 0.00 C ATOM 1025 C TYR A 67 -0.664 -1.047 -4.967 1.00 0.00 C ATOM 1026 O TYR A 67 -1.600 -1.847 -4.956 1.00 0.00 O ATOM 1027 CB TYR A 67 1.799 -1.459 -4.816 1.00 0.00 C ATOM 1028 CG TYR A 67 1.583 -2.271 -6.072 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.117 -3.579 -6.006 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.843 -1.731 -7.326 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.919 -4.325 -7.152 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.646 -2.469 -8.477 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.184 -3.766 -8.385 1.00 0.00 C ATOM 1034 OH TYR A 67 0.987 -4.505 -9.528 1.00 0.00 O ATOM 0 H TYR A 67 -0.403 -2.994 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 67 0.628 -0.297 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.238 -0.498 -5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.521 -1.973 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.906 -4.020 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.205 -0.716 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.559 -5.341 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.852 -2.033 -9.443 1.00 0.00 H new ATOM 0 HH TYR A 67 1.807 -4.502 -10.065 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.612 -0.004 -5.787 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.676 0.268 -6.746 1.00 0.00 C ATOM 1046 C ASP A 68 -1.281 1.400 -7.690 1.00 0.00 C ATOM 1047 O ASP A 68 -0.158 1.900 -7.638 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.971 0.626 -6.015 1.00 0.00 C ATOM 1049 CG ASP A 68 -4.204 0.134 -6.746 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.594 -1.033 -6.534 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.780 0.917 -7.531 1.00 0.00 O ATOM 0 H ASP A 68 0.156 0.667 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.838 -0.634 -7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.950 0.196 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.030 1.708 -5.896 1.00 0.00 H new ATOM 1056 N SER A 69 -2.212 1.797 -8.552 1.00 0.00 N ATOM 1057 CA SER A 69 -1.959 2.866 -9.511 1.00 0.00 C ATOM 1058 C SER A 69 -1.697 4.187 -8.795 1.00 0.00 C ATOM 1059 O SER A 69 -2.619 4.825 -8.289 1.00 0.00 O ATOM 1060 CB SER A 69 -3.146 3.016 -10.464 1.00 0.00 C ATOM 1061 OG SER A 69 -4.354 2.612 -9.841 1.00 0.00 O ATOM 0 H SER A 69 -3.148 1.395 -8.606 1.00 0.00 H new ATOM 0 HA SER A 69 -1.071 2.602 -10.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.229 4.054 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.976 2.417 -11.359 1.00 0.00 H new ATOM 0 HG SER A 69 -5.098 2.719 -10.470 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.431 4.591 -8.757 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.046 5.837 -8.103 1.00 0.00 C ATOM 1069 C ASN A 70 -0.587 5.893 -6.678 1.00 0.00 C ATOM 1070 O ASN A 70 -0.984 6.954 -6.194 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.558 7.037 -8.903 1.00 0.00 C ATOM 1072 CG ASN A 70 0.065 8.342 -8.448 1.00 0.00 C ATOM 1073 OD1 ASN A 70 1.119 8.745 -8.941 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.585 9.011 -7.503 1.00 0.00 N ATOM 0 H ASN A 70 0.345 4.074 -9.171 1.00 0.00 H new ATOM 0 HA ASN A 70 1.043 5.875 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.343 6.884 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.642 7.101 -8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.214 9.896 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.456 8.640 -7.123 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.600 4.744 -6.010 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.091 4.661 -4.639 1.00 0.00 C ATOM 1083 C LEU A 71 -0.307 3.625 -3.841 1.00 0.00 C ATOM 1084 O LEU A 71 -0.080 2.509 -4.308 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.580 4.309 -4.631 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.368 4.753 -3.398 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.887 4.010 -2.161 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.246 6.257 -3.200 1.00 0.00 C ATOM 0 H LEU A 71 -0.276 3.857 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.951 5.635 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.043 4.753 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.678 3.228 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.419 4.512 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.459 4.339 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.027 2.938 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.830 4.219 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.813 6.555 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.198 6.522 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.640 6.772 -4.076 1.00 0.00 H new ATOM 1100 N PHE A 72 0.102 4.001 -2.634 1.00 0.00 N ATOM 1101 CA PHE A 72 0.860 3.104 -1.770 1.00 0.00 C ATOM 1102 C PHE A 72 0.512 3.339 -0.303 1.00 0.00 C ATOM 1103 O PHE A 72 0.720 4.430 0.228 1.00 0.00 O ATOM 1104 CB PHE A 72 2.362 3.300 -1.987 1.00 0.00 C ATOM 1105 CG PHE A 72 3.213 2.556 -0.997 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.320 1.176 -1.055 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.906 3.238 -0.010 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.101 0.490 -0.144 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.690 2.557 0.902 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.788 1.181 0.834 1.00 0.00 C ATOM 0 H PHE A 72 -0.079 4.921 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 72 0.593 2.079 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.621 2.974 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.594 4.363 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.788 0.630 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.833 4.314 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.174 -0.586 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.225 3.100 1.667 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.401 0.647 1.545 1.00 0.00 H new ATOM 1120 N SER A 73 -0.019 2.307 0.346 1.00 0.00 N ATOM 1121 CA SER A 73 -0.401 2.402 1.750 1.00 0.00 C ATOM 1122 C SER A 73 0.113 1.199 2.535 1.00 0.00 C ATOM 1123 O SER A 73 0.539 0.200 1.954 1.00 0.00 O ATOM 1124 CB SER A 73 -1.922 2.500 1.882 1.00 0.00 C ATOM 1125 OG SER A 73 -2.320 2.461 3.241 1.00 0.00 O ATOM 0 H SER A 73 -0.194 1.396 -0.078 1.00 0.00 H new ATOM 0 HA SER A 73 0.051 3.304 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.271 3.426 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.391 1.679 1.339 1.00 0.00 H new ATOM 0 HG SER A 73 -1.781 3.096 3.758 1.00 0.00 H new ATOM 1131 N PHE A 74 0.068 1.301 3.859 1.00 0.00 N ATOM 1132 CA PHE A 74 0.529 0.222 4.725 1.00 0.00 C ATOM 1133 C PHE A 74 -0.113 0.321 6.105 1.00 0.00 C ATOM 1134 O PHE A 74 -0.616 1.374 6.493 1.00 0.00 O ATOM 1135 CB PHE A 74 2.053 0.261 4.855 1.00 0.00 C ATOM 1136 CG PHE A 74 2.576 1.559 5.401 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.346 1.913 6.720 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.296 2.425 4.594 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.825 3.107 7.226 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.779 3.619 5.094 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.542 3.962 6.412 1.00 0.00 C ATOM 0 H PHE A 74 -0.283 2.120 4.356 1.00 0.00 H new ATOM 0 HA PHE A 74 0.234 -0.725 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.375 -0.553 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.498 0.083 3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.786 1.248 7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.482 2.164 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.639 3.371 8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.341 4.284 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.916 4.896 6.804 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.092 -0.786 6.842 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.673 -0.825 8.178 1.00 0.00 C ATOM 1153 C GLU A 75 0.399 -0.621 9.244 1.00 0.00 C ATOM 1154 O GLU A 75 1.594 -0.701 8.961 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.390 -2.157 8.408 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.861 -2.130 8.028 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.628 -3.316 8.580 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.296 -4.462 8.211 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.560 -3.098 9.382 1.00 0.00 O ATOM 0 H GLU A 75 0.321 -1.667 6.536 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.396 -0.013 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.889 -2.934 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.300 -2.432 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.311 -1.208 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.952 -2.117 6.942 1.00 0.00 H new ATOM 1166 N SER A 76 -0.037 -0.357 10.472 1.00 0.00 N ATOM 1167 CA SER A 76 0.884 -0.137 11.580 1.00 0.00 C ATOM 1168 C SER A 76 0.236 -0.514 12.909 1.00 0.00 C ATOM 1169 O SER A 76 -0.966 -0.334 13.099 1.00 0.00 O ATOM 1170 CB SER A 76 1.334 1.325 11.616 1.00 0.00 C ATOM 1171 OG SER A 76 2.472 1.489 12.443 1.00 0.00 O ATOM 0 H SER A 76 -1.023 -0.290 10.724 1.00 0.00 H new ATOM 0 HA SER A 76 1.755 -0.774 11.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.564 1.663 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.520 1.950 11.984 1.00 0.00 H new ATOM 0 HG SER A 76 2.997 2.254 12.129 1.00 0.00 H new ATOM 1177 N GLY A 77 1.043 -1.039 13.826 1.00 0.00 N ATOM 1178 CA GLY A 77 0.531 -1.434 15.126 1.00 0.00 C ATOM 1179 C GLY A 77 0.309 -0.250 16.046 1.00 0.00 C ATOM 1180 O GLY A 77 0.046 0.862 15.585 1.00 0.00 O ATOM 0 H GLY A 77 2.042 -1.198 13.692 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.409 -1.970 14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.231 -2.127 15.593 1.00 0.00 H new ATOM 1184 N ARG A 78 0.413 -0.487 17.349 1.00 0.00 N ATOM 1185 CA ARG A 78 0.219 0.568 18.336 1.00 0.00 C ATOM 1186 C ARG A 78 1.523 0.876 19.066 1.00 0.00 C ATOM 1187 O ARG A 78 1.740 1.998 19.524 1.00 0.00 O ATOM 1188 CB ARG A 78 -0.858 0.162 19.343 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.317 -0.612 20.534 1.00 0.00 C ATOM 1190 CD ARG A 78 0.151 0.322 21.639 1.00 0.00 C ATOM 1191 NE ARG A 78 -0.917 0.628 22.587 1.00 0.00 N ATOM 1192 CZ ARG A 78 -0.700 1.014 23.839 1.00 0.00 C ATOM 1193 NH1 ARG A 78 0.540 1.142 24.292 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.724 1.274 24.642 1.00 0.00 N ATOM 0 H ARG A 78 0.631 -1.401 17.746 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.105 1.467 17.811 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.364 1.058 19.702 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.607 -0.445 18.836 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.091 -1.275 20.920 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.512 -1.242 20.213 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.987 -0.134 22.170 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.521 1.248 21.198 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.883 0.540 22.270 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.330 0.944 23.678 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.703 1.439 25.254 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.679 1.177 24.298 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.556 1.570 25.603 1.00 0.00 H new ATOM 1208 N ARG A 79 2.388 -0.127 19.171 1.00 0.00 N ATOM 1209 CA ARG A 79 3.669 0.036 19.847 1.00 0.00 C ATOM 1210 C ARG A 79 4.541 1.055 19.120 1.00 0.00 C ATOM 1211 O ARG A 79 5.532 1.541 19.667 1.00 0.00 O ATOM 1212 CB ARG A 79 4.399 -1.306 19.933 1.00 0.00 C ATOM 1213 CG ARG A 79 4.851 -1.841 18.584 1.00 0.00 C ATOM 1214 CD ARG A 79 5.605 -3.154 18.730 1.00 0.00 C ATOM 1215 NE ARG A 79 6.238 -3.563 17.479 1.00 0.00 N ATOM 1216 CZ ARG A 79 7.200 -4.477 17.406 1.00 0.00 C ATOM 1217 NH1 ARG A 79 7.636 -5.073 18.507 1.00 0.00 N ATOM 1218 NH2 ARG A 79 7.726 -4.796 16.231 1.00 0.00 N ATOM 0 H ARG A 79 2.225 -1.062 18.796 1.00 0.00 H new ATOM 0 HA ARG A 79 3.475 0.402 20.855 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.269 -1.196 20.581 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.742 -2.038 20.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.984 -1.988 17.940 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.490 -1.106 18.095 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.365 -3.051 19.504 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.917 -3.933 19.060 1.00 0.00 H new ATOM 0 HE ARG A 79 5.925 -3.123 16.614 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.233 -4.830 19.412 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.374 -5.774 18.449 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.392 -4.340 15.382 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.464 -5.498 16.176 1.00 0.00 H new ATOM 1232 N CYS A 80 4.166 1.374 17.886 1.00 0.00 N ATOM 1233 CA CYS A 80 4.915 2.335 17.084 1.00 0.00 C ATOM 1234 C CYS A 80 4.594 3.765 17.509 1.00 0.00 C ATOM 1235 O CYS A 80 3.600 4.011 18.191 1.00 0.00 O ATOM 1236 CB CYS A 80 4.598 2.148 15.599 1.00 0.00 C ATOM 1237 SG CYS A 80 2.834 2.226 15.206 1.00 0.00 S ATOM 0 H CYS A 80 3.348 0.982 17.419 1.00 0.00 H new ATOM 0 HA CYS A 80 5.978 2.157 17.246 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.121 2.915 15.027 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.990 1.184 15.273 1.00 0.00 H new ATOM 0 HG CYS A 80 2.650 1.877 13.967 1.00 0.00 H new ATOM 1243 N GLN A 81 5.445 4.702 17.102 1.00 0.00 N ATOM 1244 CA GLN A 81 5.253 6.106 17.443 1.00 0.00 C ATOM 1245 C GLN A 81 3.861 6.580 17.036 1.00 0.00 C ATOM 1246 O GLN A 81 3.019 6.870 17.887 1.00 0.00 O ATOM 1247 CB GLN A 81 6.317 6.968 16.761 1.00 0.00 C ATOM 1248 CG GLN A 81 5.959 8.445 16.704 1.00 0.00 C ATOM 1249 CD GLN A 81 7.180 9.339 16.622 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.096 9.236 17.439 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.202 10.223 15.631 1.00 0.00 N ATOM 0 H GLN A 81 6.273 4.514 16.537 1.00 0.00 H new ATOM 0 HA GLN A 81 5.350 6.208 18.524 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.262 6.852 17.292 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.474 6.601 15.747 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.321 8.627 15.839 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.379 8.709 17.589 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.422 10.275 14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.999 10.850 15.525 1.00 0.00 H new ATOM 1260 N THR A 82 3.625 6.657 15.730 1.00 0.00 N ATOM 1261 CA THR A 82 2.336 7.096 15.211 1.00 0.00 C ATOM 1262 C THR A 82 1.191 6.331 15.863 1.00 0.00 C ATOM 1263 O THR A 82 0.257 6.928 16.398 1.00 0.00 O ATOM 1264 CB THR A 82 2.255 6.917 13.683 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.430 5.537 13.342 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.314 7.755 12.983 1.00 0.00 C ATOM 0 H THR A 82 4.310 6.421 15.012 1.00 0.00 H new ATOM 0 HA THR A 82 2.243 8.155 15.450 1.00 0.00 H new ATOM 0 HB THR A 82 1.272 7.252 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.219 5.405 12.394 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.237 7.612 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.161 8.808 13.221 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.304 7.447 13.320 1.00 0.00 H new ATOM 1274 N GLY A 83 1.268 5.004 15.815 1.00 0.00 N ATOM 1275 CA GLY A 83 0.231 4.179 16.405 1.00 0.00 C ATOM 1276 C GLY A 83 -0.706 3.593 15.367 1.00 0.00 C ATOM 1277 O GLY A 83 -0.597 3.903 14.180 1.00 0.00 O ATOM 0 H GLY A 83 2.030 4.486 15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.693 3.370 16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.344 4.775 17.113 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.626 2.745 15.813 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.583 2.113 14.913 1.00 0.00 C ATOM 1283 C GLN A 84 -3.097 3.109 13.878 1.00 0.00 C ATOM 1284 O GLN A 84 -3.185 4.307 14.146 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.755 1.533 15.706 1.00 0.00 C ATOM 1286 CG GLN A 84 -3.538 0.094 16.148 1.00 0.00 C ATOM 1287 CD GLN A 84 -4.645 -0.412 17.051 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -5.713 0.194 17.143 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -4.396 -1.528 17.725 1.00 0.00 N ATOM 0 H GLN A 84 -1.729 2.479 16.792 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.072 1.305 14.390 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.929 2.152 16.586 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.657 1.585 15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.471 -0.546 15.268 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.585 0.018 16.671 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.497 -1.998 17.619 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.104 -1.916 18.349 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.434 2.605 12.695 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.935 3.465 11.638 1.00 0.00 C ATOM 1300 C GLY A 85 -3.220 3.240 10.321 1.00 0.00 C ATOM 1301 O GLY A 85 -2.008 3.025 10.293 1.00 0.00 O ATOM 0 H GLY A 85 -3.369 1.617 12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.002 3.287 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.821 4.507 11.937 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.972 3.287 9.226 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.403 3.085 7.900 1.00 0.00 C ATOM 1307 C ILE A 86 -3.050 4.417 7.245 1.00 0.00 C ATOM 1308 O ILE A 86 -3.826 5.371 7.298 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.371 2.315 6.982 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.477 0.855 7.428 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.910 2.401 5.535 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.590 0.094 6.743 1.00 0.00 C ATOM 0 H ILE A 86 -4.977 3.463 9.232 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.496 2.496 8.033 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.359 2.770 7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.530 0.353 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.636 0.823 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.604 1.852 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.881 3.445 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.914 1.967 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.606 -0.933 7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.545 0.572 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.422 0.094 5.666 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.876 4.473 6.625 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.421 5.687 5.959 1.00 0.00 C ATOM 1326 C PHE A 87 -1.137 5.423 4.483 1.00 0.00 C ATOM 1327 O PHE A 87 -0.376 4.519 4.138 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.164 6.229 6.642 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.282 6.308 8.138 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.031 7.309 8.735 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.357 5.382 8.946 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.142 7.385 10.111 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.249 5.452 10.322 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.500 6.455 10.905 1.00 0.00 C ATOM 0 H PHE A 87 -1.223 3.692 6.570 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.215 6.431 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.683 5.592 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.054 7.222 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.534 8.039 8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.946 4.597 8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.729 8.170 10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.750 4.723 10.941 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.584 6.512 11.980 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.754 6.219 3.616 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.568 6.074 2.178 1.00 0.00 C ATOM 1346 C ALA A 88 -0.702 7.198 1.620 1.00 0.00 C ATOM 1347 O ALA A 88 -0.576 8.260 2.231 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.915 6.042 1.471 1.00 0.00 C ATOM 0 H ALA A 88 -2.388 6.972 3.885 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.053 5.130 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.760 5.933 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.500 5.200 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.451 6.970 1.668 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.107 6.959 0.456 1.00 0.00 N ATOM 1355 CA PHE A 89 0.749 7.952 -0.183 1.00 0.00 C ATOM 1356 C PHE A 89 0.710 7.806 -1.702 1.00 0.00 C ATOM 1357 O PHE A 89 0.688 6.694 -2.230 1.00 0.00 O ATOM 1358 CB PHE A 89 2.188 7.813 0.317 1.00 0.00 C ATOM 1359 CG PHE A 89 2.293 7.664 1.808 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.114 6.427 2.407 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.571 8.759 2.609 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.209 6.288 3.779 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.668 8.625 3.981 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.488 7.387 4.567 1.00 0.00 C ATOM 0 H PHE A 89 -0.202 6.087 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 89 0.375 8.941 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.648 6.947 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.758 8.688 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.898 5.563 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.714 9.729 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.065 5.320 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.884 9.487 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.565 7.279 5.639 1.00 0.00 H new ATOM 1374 N LYS A 90 0.701 8.937 -2.399 1.00 0.00 N ATOM 1375 CA LYS A 90 0.665 8.938 -3.856 1.00 0.00 C ATOM 1376 C LYS A 90 2.074 9.010 -4.435 1.00 0.00 C ATOM 1377 O LYS A 90 2.861 9.884 -4.070 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.168 10.117 -4.366 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.646 9.801 -4.507 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.378 10.889 -5.275 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.839 10.527 -5.499 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.013 9.626 -6.671 1.00 0.00 N ATOM 0 H LYS A 90 0.718 9.866 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 90 0.203 8.006 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.048 10.958 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.221 10.434 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.768 8.847 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.091 9.690 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.315 11.829 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.890 11.048 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.234 10.042 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.420 11.437 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.022 9.403 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.659 10.098 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.480 8.747 -6.515 1.00 0.00 H new ATOM 1396 N CYS A 91 2.386 8.087 -5.338 1.00 0.00 N ATOM 1397 CA CYS A 91 3.701 8.046 -5.968 1.00 0.00 C ATOM 1398 C CYS A 91 3.667 7.212 -7.245 1.00 0.00 C ATOM 1399 O CYS A 91 3.200 6.073 -7.241 1.00 0.00 O ATOM 1400 CB CYS A 91 4.736 7.475 -4.998 1.00 0.00 C ATOM 1401 SG CYS A 91 4.188 5.990 -4.125 1.00 0.00 S ATOM 0 H CYS A 91 1.746 7.357 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 91 3.983 9.066 -6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.647 7.244 -5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.993 8.240 -4.266 1.00 0.00 H new ATOM 0 HG CYS A 91 5.132 5.581 -3.330 1.00 0.00 H new ATOM 1407 N SER A 92 4.162 7.788 -8.335 1.00 0.00 N ATOM 1408 CA SER A 92 4.184 7.100 -9.621 1.00 0.00 C ATOM 1409 C SER A 92 5.089 5.873 -9.565 1.00 0.00 C ATOM 1410 O SER A 92 5.087 5.045 -10.476 1.00 0.00 O ATOM 1411 CB SER A 92 4.658 8.049 -10.723 1.00 0.00 C ATOM 1412 OG SER A 92 4.725 7.385 -11.973 1.00 0.00 O ATOM 0 H SER A 92 4.553 8.730 -8.354 1.00 0.00 H new ATOM 0 HA SER A 92 3.170 6.771 -9.847 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.977 8.897 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.639 8.448 -10.466 1.00 0.00 H new ATOM 0 HG SER A 92 4.833 6.422 -11.827 1.00 0.00 H new ATOM 1418 N ARG A 93 5.861 5.764 -8.489 1.00 0.00 N ATOM 1419 CA ARG A 93 6.773 4.640 -8.314 1.00 0.00 C ATOM 1420 C ARG A 93 6.309 3.736 -7.176 1.00 0.00 C ATOM 1421 O ARG A 93 7.122 3.114 -6.493 1.00 0.00 O ATOM 1422 CB ARG A 93 8.190 5.144 -8.034 1.00 0.00 C ATOM 1423 CG ARG A 93 8.314 5.922 -6.735 1.00 0.00 C ATOM 1424 CD ARG A 93 9.497 6.877 -6.768 1.00 0.00 C ATOM 1425 NE ARG A 93 9.432 7.789 -7.907 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.625 8.843 -7.959 1.00 0.00 C ATOM 1427 NH1 ARG A 93 7.819 9.116 -6.942 1.00 0.00 N ATOM 1428 NH2 ARG A 93 8.623 9.627 -9.029 1.00 0.00 N ATOM 0 H ARG A 93 5.873 6.440 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 93 6.777 4.060 -9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.870 4.293 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.510 5.779 -8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.397 6.483 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.429 5.227 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.524 7.453 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.424 6.305 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 93 10.039 7.607 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.818 8.516 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.200 9.926 -6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.242 9.421 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.003 10.436 -9.067 1.00 0.00 H new ATOM 1442 N ALA A 94 4.996 3.669 -6.978 1.00 0.00 N ATOM 1443 CA ALA A 94 4.424 2.841 -5.924 1.00 0.00 C ATOM 1444 C ALA A 94 4.923 1.403 -6.024 1.00 0.00 C ATOM 1445 O ALA A 94 5.405 0.835 -5.044 1.00 0.00 O ATOM 1446 CB ALA A 94 2.904 2.880 -5.988 1.00 0.00 C ATOM 0 H ALA A 94 4.309 4.178 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 94 4.747 3.244 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.490 2.257 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.561 3.907 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.571 2.504 -6.955 1.00 0.00 H new ATOM 1452 N GLU A 95 4.802 0.821 -7.212 1.00 0.00 N ATOM 1453 CA GLU A 95 5.240 -0.551 -7.438 1.00 0.00 C ATOM 1454 C GLU A 95 6.695 -0.735 -7.014 1.00 0.00 C ATOM 1455 O GLU A 95 7.012 -1.617 -6.217 1.00 0.00 O ATOM 1456 CB GLU A 95 5.076 -0.927 -8.912 1.00 0.00 C ATOM 1457 CG GLU A 95 5.134 -2.423 -9.170 1.00 0.00 C ATOM 1458 CD GLU A 95 4.348 -2.835 -10.399 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.311 -2.050 -11.370 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.771 -3.942 -10.391 1.00 0.00 O ATOM 0 H GLU A 95 4.404 1.278 -8.033 1.00 0.00 H new ATOM 0 HA GLU A 95 4.617 -1.208 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.122 -0.542 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.858 -0.436 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.174 -2.727 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.745 -2.953 -8.300 1.00 0.00 H new ATOM 1467 N GLU A 96 7.573 0.104 -7.554 1.00 0.00 N ATOM 1468 CA GLU A 96 8.993 0.033 -7.232 1.00 0.00 C ATOM 1469 C GLU A 96 9.202 -0.219 -5.742 1.00 0.00 C ATOM 1470 O GLU A 96 9.907 -1.151 -5.352 1.00 0.00 O ATOM 1471 CB GLU A 96 9.698 1.328 -7.645 1.00 0.00 C ATOM 1472 CG GLU A 96 9.946 1.435 -9.140 1.00 0.00 C ATOM 1473 CD GLU A 96 10.745 0.267 -9.684 1.00 0.00 C ATOM 1474 OE1 GLU A 96 10.130 -0.764 -10.029 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.986 0.384 -9.765 1.00 0.00 O ATOM 0 H GLU A 96 7.326 0.840 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 96 9.423 -0.800 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.096 2.178 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.651 1.396 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.990 1.490 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.477 2.363 -9.351 1.00 0.00 H new ATOM 1482 N ILE A 97 8.585 0.617 -4.914 1.00 0.00 N ATOM 1483 CA ILE A 97 8.702 0.485 -3.467 1.00 0.00 C ATOM 1484 C ILE A 97 8.095 -0.828 -2.984 1.00 0.00 C ATOM 1485 O ILE A 97 8.592 -1.445 -2.042 1.00 0.00 O ATOM 1486 CB ILE A 97 8.016 1.654 -2.737 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.543 2.991 -3.262 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.236 1.544 -1.236 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.519 4.103 -3.220 1.00 0.00 C ATOM 0 H ILE A 97 7.999 1.393 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 97 9.767 0.498 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 97 6.945 1.606 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.412 3.286 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.883 2.860 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.745 2.378 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.817 0.605 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.304 1.570 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.962 5.021 -3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.659 3.829 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.196 4.262 -2.191 1.00 0.00 H new ATOM 1501 N PHE A 98 7.017 -1.251 -3.638 1.00 0.00 N ATOM 1502 CA PHE A 98 6.342 -2.491 -3.276 1.00 0.00 C ATOM 1503 C PHE A 98 7.154 -3.703 -3.724 1.00 0.00 C ATOM 1504 O PHE A 98 7.015 -4.795 -3.173 1.00 0.00 O ATOM 1505 CB PHE A 98 4.947 -2.538 -3.902 1.00 0.00 C ATOM 1506 CG PHE A 98 4.523 -3.918 -4.319 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.193 -4.872 -3.369 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.453 -4.260 -5.660 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.804 -6.142 -3.750 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.064 -5.529 -6.046 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.738 -6.471 -5.090 1.00 0.00 C ATOM 0 H PHE A 98 6.593 -0.753 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 98 6.247 -2.521 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.224 -2.145 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.926 -1.882 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.240 -4.620 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.705 -3.527 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.552 -6.877 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.015 -5.784 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.432 -7.463 -5.389 1.00 0.00 H new ATOM 1521 N ASN A 99 8.001 -3.502 -4.727 1.00 0.00 N ATOM 1522 CA ASN A 99 8.835 -4.578 -5.251 1.00 0.00 C ATOM 1523 C ASN A 99 10.136 -4.691 -4.462 1.00 0.00 C ATOM 1524 O ASN A 99 10.775 -5.744 -4.444 1.00 0.00 O ATOM 1525 CB ASN A 99 9.142 -4.340 -6.731 1.00 0.00 C ATOM 1526 CG ASN A 99 7.981 -4.718 -7.630 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.128 -5.523 -7.256 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.944 -4.138 -8.824 1.00 0.00 N ATOM 0 H ASN A 99 8.129 -2.604 -5.194 1.00 0.00 H new ATOM 0 HA ASN A 99 8.285 -5.513 -5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.389 -3.289 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.021 -4.919 -7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.187 -4.354 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.672 -3.476 -9.092 1.00 0.00 H new ATOM 1535 N LEU A 100 10.523 -3.600 -3.811 1.00 0.00 N ATOM 1536 CA LEU A 100 11.748 -3.576 -3.018 1.00 0.00 C ATOM 1537 C LEU A 100 11.456 -3.895 -1.556 1.00 0.00 C ATOM 1538 O LEU A 100 12.292 -4.469 -0.856 1.00 0.00 O ATOM 1539 CB LEU A 100 12.423 -2.208 -3.129 1.00 0.00 C ATOM 1540 CG LEU A 100 13.808 -2.089 -2.492 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.713 -3.214 -2.969 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.426 -0.735 -2.807 1.00 0.00 C ATOM 0 H LEU A 100 10.007 -2.720 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 100 12.421 -4.339 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.508 -1.952 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.770 -1.465 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 100 13.698 -2.172 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.694 -3.113 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.277 -4.174 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.817 -3.163 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.411 -0.669 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.523 -0.622 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.787 0.057 -2.415 1.00 0.00 H new ATOM 1554 N LEU A 101 10.266 -3.522 -1.100 1.00 0.00 N ATOM 1555 CA LEU A 101 9.862 -3.771 0.280 1.00 0.00 C ATOM 1556 C LEU A 101 9.949 -5.257 0.613 1.00 0.00 C ATOM 1557 O LEU A 101 10.690 -5.660 1.509 1.00 0.00 O ATOM 1558 CB LEU A 101 8.438 -3.266 0.514 1.00 0.00 C ATOM 1559 CG LEU A 101 8.311 -1.842 1.056 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.848 -1.446 1.180 1.00 0.00 C ATOM 1561 CD2 LEU A 101 9.014 -1.718 2.400 1.00 0.00 C ATOM 0 H LEU A 101 9.563 -3.046 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 101 10.544 -3.230 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.894 -3.324 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.943 -3.944 1.210 1.00 0.00 H new ATOM 0 HG LEU A 101 8.792 -1.162 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.778 -0.430 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.374 -1.494 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.343 -2.130 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.913 -0.698 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.562 -2.409 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.071 -1.958 2.282 1.00 0.00 H new ATOM 1573 N GLN A 102 9.188 -6.067 -0.116 1.00 0.00 N ATOM 1574 CA GLN A 102 9.180 -7.509 0.101 1.00 0.00 C ATOM 1575 C GLN A 102 10.592 -8.079 0.020 1.00 0.00 C ATOM 1576 O GLN A 102 10.906 -9.080 0.665 1.00 0.00 O ATOM 1577 CB GLN A 102 8.279 -8.196 -0.926 1.00 0.00 C ATOM 1578 CG GLN A 102 8.668 -7.905 -2.367 1.00 0.00 C ATOM 1579 CD GLN A 102 7.784 -8.625 -3.366 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.026 -8.387 -4.650 1.00 0.00 O flip ATOM 1581 NE2 GLN A 102 6.893 -9.386 -2.989 1.00 0.00 N flip ATOM 0 H GLN A 102 8.569 -5.749 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 102 8.788 -7.699 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.309 -9.273 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.249 -7.877 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.611 -6.831 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.705 -8.200 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.742 -9.540 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.306 -9.863 -3.674 1.00 0.00 H new ATOM 1590 N ASP A 103 11.439 -7.436 -0.776 1.00 0.00 N ATOM 1591 CA ASP A 103 12.819 -7.879 -0.941 1.00 0.00 C ATOM 1592 C ASP A 103 13.598 -7.728 0.361 1.00 0.00 C ATOM 1593 O ASP A 103 14.414 -8.582 0.712 1.00 0.00 O ATOM 1594 CB ASP A 103 13.503 -7.084 -2.054 1.00 0.00 C ATOM 1595 CG ASP A 103 13.367 -7.750 -3.409 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.229 -7.838 -3.916 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.399 -8.184 -3.963 1.00 0.00 O ATOM 0 H ASP A 103 11.195 -6.607 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 103 12.805 -8.934 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.072 -6.084 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.560 -6.966 -1.815 1.00 0.00 H new ATOM 1602 N LEU A 104 13.342 -6.637 1.074 1.00 0.00 N ATOM 1603 CA LEU A 104 14.021 -6.373 2.339 1.00 0.00 C ATOM 1604 C LEU A 104 13.407 -7.195 3.468 1.00 0.00 C ATOM 1605 O LEU A 104 14.073 -7.507 4.454 1.00 0.00 O ATOM 1606 CB LEU A 104 13.946 -4.883 2.678 1.00 0.00 C ATOM 1607 CG LEU A 104 14.388 -3.920 1.575 1.00 0.00 C ATOM 1608 CD1 LEU A 104 13.965 -2.498 1.908 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.894 -3.997 1.372 1.00 0.00 C ATOM 0 H LEU A 104 12.670 -5.921 0.799 1.00 0.00 H new ATOM 0 HA LEU A 104 15.066 -6.663 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.918 -4.644 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.560 -4.700 3.560 1.00 0.00 H new ATOM 0 HG LEU A 104 13.901 -4.214 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.288 -1.827 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.880 -2.454 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.424 -2.193 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.191 -3.305 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.400 -3.729 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.171 -5.012 1.087 1.00 0.00 H new ATOM 1621 N MET A 105 12.134 -7.543 3.314 1.00 0.00 N ATOM 1622 CA MET A 105 11.432 -8.333 4.320 1.00 0.00 C ATOM 1623 C MET A 105 11.862 -9.795 4.261 1.00 0.00 C ATOM 1624 O MET A 105 12.179 -10.399 5.285 1.00 0.00 O ATOM 1625 CB MET A 105 9.919 -8.225 4.118 1.00 0.00 C ATOM 1626 CG MET A 105 9.415 -6.793 4.053 1.00 0.00 C ATOM 1627 SD MET A 105 9.009 -6.124 5.678 1.00 0.00 S ATOM 1628 CE MET A 105 7.221 -6.231 5.651 1.00 0.00 C ATOM 0 H MET A 105 11.568 -7.291 2.504 1.00 0.00 H new ATOM 0 HA MET A 105 11.690 -7.937 5.302 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.646 -8.740 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.414 -8.742 4.934 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.174 -6.166 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.531 -6.752 3.416 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.821 -5.869 6.598 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.832 -5.621 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.921 -7.268 5.503 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.038 10.708 7.254 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.496 10.675 7.288 1.00 0.00 C ATOM 2277 C PHE B 2 -4.000 9.278 7.638 1.00 0.00 C ATOM 2278 O PHE B 2 -3.610 8.292 7.013 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.069 11.114 5.939 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.569 11.083 5.887 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.248 9.879 5.790 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.302 12.258 5.935 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.629 9.848 5.741 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.683 12.234 5.886 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.347 11.027 5.790 1.00 0.00 C ATOM 0 HA PHE B 2 -3.833 11.367 8.060 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.727 12.125 5.720 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.673 10.466 5.157 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.692 8.954 5.752 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -5.788 13.205 6.012 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.146 8.903 5.664 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.242 13.157 5.923 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.426 11.005 5.753 1.00 0.00 H new ATOM 2295 N ARG B 3 -4.870 9.203 8.640 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.427 7.928 9.074 1.00 0.00 C ATOM 2297 C ARG B 3 -6.533 7.467 8.129 1.00 0.00 C ATOM 2298 O ARG B 3 -7.472 8.213 7.845 1.00 0.00 O ATOM 2299 CB ARG B 3 -5.973 8.044 10.498 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.100 9.055 10.637 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.261 9.515 12.078 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.434 10.681 12.376 1.00 0.00 N ATOM 2303 CZ ARG B 3 -6.106 11.055 13.608 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -6.532 10.356 14.651 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -5.350 12.128 13.798 1.00 0.00 N ATOM 0 H ARG B 3 -5.204 10.010 9.166 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.628 7.187 9.058 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.331 7.067 10.822 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.160 8.324 11.168 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -6.899 9.916 9.999 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.033 8.612 10.289 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -8.307 9.755 12.267 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -6.994 8.700 12.751 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.089 11.239 11.595 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -7.113 9.530 14.508 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -6.279 10.645 15.596 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -5.020 12.667 12.998 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -5.099 12.414 14.744 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.416 6.236 7.645 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.406 5.676 6.731 1.00 0.00 C ATOM 2321 C LEU B 4 -8.307 4.678 7.450 1.00 0.00 C ATOM 2322 O LEU B 4 -8.011 4.251 8.566 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.711 4.995 5.550 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.219 5.920 4.437 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.340 5.156 3.458 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.397 6.557 3.713 1.00 0.00 C ATOM 0 H LEU B 4 -5.646 5.606 7.870 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.024 6.493 6.359 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.859 4.433 5.931 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.401 4.272 5.116 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.622 6.713 4.887 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.999 5.830 2.673 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.478 4.748 3.985 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.913 4.342 3.014 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.028 7.212 2.924 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.020 5.777 3.275 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.988 7.138 4.421 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.408 4.309 6.802 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.352 3.360 7.379 1.00 0.00 C ATOM 2340 C ARG B 5 -10.185 1.978 6.754 1.00 0.00 C ATOM 2341 O ARG B 5 -10.235 0.961 7.446 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.787 3.851 7.182 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.789 3.198 8.119 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.135 3.905 8.077 1.00 0.00 C ATOM 2345 NE ARG B 5 -15.084 3.333 9.028 1.00 0.00 N ATOM 2346 CZ ARG B 5 -16.397 3.526 8.962 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.913 4.272 7.995 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -17.196 2.971 9.865 1.00 0.00 N ATOM 0 H ARG B 5 -9.668 4.653 5.878 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.145 3.284 8.446 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.816 4.931 7.329 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.089 3.661 6.152 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.918 2.151 7.843 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.400 3.214 9.137 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.995 4.963 8.297 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.547 3.840 7.070 1.00 0.00 H new ATOM 0 HE ARG B 5 -14.719 2.754 9.784 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -16.302 4.699 7.299 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.921 4.418 7.947 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -16.802 2.396 10.610 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -18.204 3.119 9.814 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.988 1.949 5.439 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.814 0.693 4.720 1.00 0.00 C ATOM 2364 C HIS B 6 -8.555 0.729 3.858 1.00 0.00 C ATOM 2365 O HIS B 6 -7.948 1.784 3.673 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.036 0.408 3.846 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.313 0.295 4.620 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -12.798 -0.903 5.102 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -13.206 1.239 4.997 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -13.935 -0.691 5.740 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -14.204 0.601 5.692 1.00 0.00 N ATOM 0 H HIS B 6 -9.945 2.781 4.851 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.707 -0.105 5.455 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.138 1.203 3.108 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -10.871 -0.519 3.296 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -13.145 2.297 4.790 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.541 -1.446 6.219 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.021 1.052 6.104 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.168 -0.429 3.335 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.980 -0.530 2.495 1.00 0.00 C ATOM 2382 C PHE B 7 -7.331 -0.302 1.028 1.00 0.00 C ATOM 2383 O PHE B 7 -8.097 -1.052 0.423 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.323 -1.901 2.667 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.840 -1.888 2.430 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.033 -0.950 3.053 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.252 -2.814 1.583 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.668 -0.936 2.837 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.888 -2.805 1.363 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.095 -1.864 1.990 1.00 0.00 C ATOM 0 H PHE B 7 -8.660 -1.311 3.478 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.278 0.243 2.807 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.519 -2.265 3.676 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.787 -2.607 1.978 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.476 -0.221 3.715 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.867 -3.551 1.089 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.050 -0.200 3.330 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.442 -3.533 0.701 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.029 -1.854 1.818 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.759 0.760 0.441 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.996 1.112 -0.962 1.00 0.00 C ATOM 2402 C PRO B 8 -6.362 0.115 -1.925 1.00 0.00 C ATOM 2403 O PRO B 8 -6.487 0.248 -3.143 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.332 2.485 -1.100 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.286 2.508 -0.039 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.836 1.698 1.102 1.00 0.00 C ATOM 0 HA PRO B 8 -8.058 1.110 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.895 2.616 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.054 3.290 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.351 2.083 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.071 3.529 0.275 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.046 1.173 1.639 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.353 2.326 1.828 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.682 -0.884 -1.373 1.00 0.00 N ATOM 2415 CA CYS B 9 -5.027 -1.904 -2.184 1.00 0.00 C ATOM 2416 C CYS B 9 -5.625 -3.281 -1.911 1.00 0.00 C ATOM 2417 O CYS B 9 -6.265 -3.499 -0.884 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.524 -1.922 -1.903 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.689 -3.430 -2.449 1.00 0.00 S ATOM 0 H CYS B 9 -5.570 -1.009 -0.367 1.00 0.00 H new ATOM 0 HA CYS B 9 -5.189 -1.659 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.063 -1.066 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.364 -1.798 -0.832 1.00 0.00 H new ATOM 0 HG CYS B 9 -2.509 -4.219 -1.432 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.412 -4.207 -2.841 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.937 -5.551 -2.684 1.00 0.00 C ATOM 2427 C GLY B 10 -4.883 -6.616 -2.911 1.00 0.00 C ATOM 2428 O GLY B 10 -4.998 -7.731 -2.404 1.00 0.00 O ATOM 0 H GLY B 10 -4.885 -4.050 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.350 -5.661 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.758 -5.701 -3.385 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.853 -6.273 -3.678 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.775 -7.209 -3.974 1.00 0.00 C ATOM 2434 C ASN B 11 -1.644 -7.075 -2.958 1.00 0.00 C ATOM 2435 O ASN B 11 -0.483 -6.894 -3.326 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.238 -6.971 -5.386 1.00 0.00 C ATOM 2437 CG ASN B 11 -1.698 -8.238 -6.021 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -2.459 -9.074 -6.508 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -0.379 -8.385 -6.019 1.00 0.00 N ATOM 0 H ASN B 11 -3.742 -5.354 -4.106 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.178 -8.220 -3.912 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -3.034 -6.566 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.448 -6.221 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.042 -9.217 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.214 -7.666 -5.604 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.992 -7.167 -1.678 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.007 -7.058 -0.609 1.00 0.00 C ATOM 2448 C VAL B 12 -0.220 -8.354 -0.452 1.00 0.00 C ATOM 2449 O VAL B 12 -0.731 -9.439 -0.727 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.673 -6.709 0.735 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.904 -7.573 0.961 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.682 -6.868 1.878 1.00 0.00 C ATOM 0 H VAL B 12 -2.948 -7.317 -1.357 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.326 -6.254 -0.888 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.991 -5.667 0.703 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.361 -7.312 1.915 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.620 -7.403 0.157 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.614 -8.624 0.973 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.170 -6.617 2.820 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.331 -7.899 1.914 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.166 -6.202 1.720 1.00 0.00 H new ATOM 2462 N ASN B 13 1.026 -8.234 -0.008 1.00 0.00 N ATOM 2463 CA ASN B 13 1.885 -9.397 0.186 1.00 0.00 C ATOM 2464 C ASN B 13 2.412 -9.451 1.616 1.00 0.00 C ATOM 2465 O ASN B 13 3.565 -9.107 1.877 1.00 0.00 O ATOM 2466 CB ASN B 13 3.054 -9.364 -0.800 1.00 0.00 C ATOM 2467 CG ASN B 13 4.206 -10.246 -0.360 1.00 0.00 C ATOM 2468 OD1 ASN B 13 5.425 -9.835 -0.689 1.00 0.00 O flip ATOM 2469 ND2 ASN B 13 4.003 -11.285 0.269 1.00 0.00 N flip ATOM 0 H ASN B 13 1.464 -7.343 0.225 1.00 0.00 H new ATOM 0 HA ASN B 13 1.290 -10.292 0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.707 -9.687 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.406 -8.338 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.049 -11.563 0.501 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.789 -11.868 0.558 1.00 0.00 H new ATOM 2476 N TYR B 14 1.561 -9.887 2.539 1.00 0.00 N ATOM 2477 CA TYR B 14 1.941 -9.985 3.943 1.00 0.00 C ATOM 2478 C TYR B 14 3.302 -10.657 4.094 1.00 0.00 C ATOM 2479 O TYR B 14 3.643 -11.569 3.343 1.00 0.00 O ATOM 2480 CB TYR B 14 0.884 -10.767 4.725 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.535 -10.450 4.309 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.120 -9.233 4.635 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.290 -11.368 3.590 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.416 -8.939 4.258 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.587 -11.082 3.207 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.145 -9.867 3.544 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.436 -9.578 3.166 1.00 0.00 O ATOM 0 H TYR B 14 0.604 -10.178 2.340 1.00 0.00 H new ATOM 0 HA TYR B 14 2.009 -8.975 4.346 1.00 0.00 H new ATOM 0 HB2 TYR B 14 1.062 -11.834 4.593 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.998 -10.553 5.788 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.552 -8.504 5.193 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.856 -12.321 3.326 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.856 -7.988 4.521 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.160 -11.806 2.647 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.809 -10.336 2.669 1.00 0.00 H new ATOM 2497 N GLY B 15 4.076 -10.197 5.072 1.00 0.00 N ATOM 2498 CA GLY B 15 5.392 -10.764 5.306 1.00 0.00 C ATOM 2499 C GLY B 15 5.607 -11.151 6.756 1.00 0.00 C ATOM 2500 O GLY B 15 4.648 -11.343 7.503 1.00 0.00 O ATOM 0 H GLY B 15 3.816 -9.442 5.707 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.523 -11.643 4.675 1.00 0.00 H new ATOM 0 HA3 GLY B 15 6.153 -10.043 5.009 1.00 0.00 H new