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 86:sc= 0.274 USER MOD Set 1.2: A 102 GLN : amide:sc= -3.4! K(o=-10!,f=-6.2) USER MOD Set 1.3: B 13 ASN : amide:sc= -7.2! C(o=-10!,f=-13!) USER MOD Set 2.1: A 80 CYS SG : rot 160:sc= -0.927 USER MOD Set 2.2: A 82 THR OG1 : rot 151:sc= 0.0428 USER MOD Set 3.1: A 70 ASN : amide:sc= -0.923 K(o=-0.92,f=-0.14) USER MOD Set 3.2: A 90 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00484) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -9.12! C(o=-10!,f=-14!) USER MOD Set 4.2: A 19 THR OG1 : rot 6:sc= -1.02! USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.1!) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.0706 (180deg=-0.433) USER MOD Single : A 22 LYS NZ :NH3+ -140:sc= 0.0187 (180deg=-1.38) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00747 USER MOD Single : A 25 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 164:sc= -1.91 (180deg=-2.07!) USER MOD Single : A 41 THR OG1 : rot 11:sc= 0.717 USER MOD Single : A 42 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 59 TYR OH : rot 145:sc= 0.126 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.239 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -101:sc=-0.00721 USER MOD Single : A 76 SER OG : rot -173:sc= 0.673 USER MOD Single : A 81 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.29) USER MOD Single : A 84 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD Single : A 91 CYS SG : rot 91:sc= 0.189 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -8.36! C(o=-8.4!,f=-8.2!) USER MOD Single : A 105 MET CE :methyl -123:sc= -1.26 (180deg=-4.61!) USER MOD Single : B 6 HIS : no HD1:sc= -0.0066 X(o=-0.0066,f=-0.33) USER MOD Single : B 9 CYS SG : rot 170:sc= -0.749 USER MOD Single : B 11 ASN : amide:sc=-0.00207 K(o=-0.0021,f=-0.76) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 17.654 11.969 -7.002 1.00 0.00 N ATOM 163 CA PRO A 14 16.817 11.855 -8.200 1.00 0.00 C ATOM 164 C PRO A 14 15.394 11.417 -7.874 1.00 0.00 C ATOM 165 O PRO A 14 15.158 10.731 -6.879 1.00 0.00 O ATOM 166 CB PRO A 14 17.529 10.784 -9.030 1.00 0.00 C ATOM 167 CG PRO A 14 18.278 9.968 -8.033 1.00 0.00 C ATOM 168 CD PRO A 14 18.685 10.918 -6.941 1.00 0.00 C ATOM 0 HA PRO A 14 16.709 12.810 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.816 10.174 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 14 18.202 11.232 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.655 9.165 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 14 19.151 9.500 -8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.702 10.428 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.682 11.323 -7.112 1.00 0.00 H new ATOM 176 N ASP A 15 14.449 11.818 -8.717 1.00 0.00 N ATOM 177 CA ASP A 15 13.048 11.465 -8.519 1.00 0.00 C ATOM 178 C ASP A 15 12.796 10.007 -8.892 1.00 0.00 C ATOM 179 O ASP A 15 11.666 9.527 -8.831 1.00 0.00 O ATOM 180 CB ASP A 15 12.147 12.380 -9.349 1.00 0.00 C ATOM 181 CG ASP A 15 12.167 13.814 -8.858 1.00 0.00 C ATOM 182 OD1 ASP A 15 13.272 14.344 -8.621 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.077 14.405 -8.711 1.00 0.00 O ATOM 0 H ASP A 15 14.628 12.388 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 15 12.812 11.597 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.466 12.351 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.125 12.003 -9.319 1.00 0.00 H new ATOM 188 N ASN A 16 13.859 9.310 -9.281 1.00 0.00 N ATOM 189 CA ASN A 16 13.753 7.907 -9.667 1.00 0.00 C ATOM 190 C ASN A 16 14.816 7.068 -8.964 1.00 0.00 C ATOM 191 O ASN A 16 15.338 6.107 -9.530 1.00 0.00 O ATOM 192 CB ASN A 16 13.892 7.761 -11.183 1.00 0.00 C ATOM 193 CG ASN A 16 15.068 8.545 -11.734 1.00 0.00 C ATOM 194 OD1 ASN A 16 16.089 8.707 -11.065 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.929 9.038 -12.959 1.00 0.00 N ATOM 0 H ASN A 16 14.803 9.693 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 16 12.770 7.546 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.012 6.707 -11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.975 8.101 -11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.686 9.575 -13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.065 8.879 -13.478 1.00 0.00 H new ATOM 202 N HIS A 17 15.132 7.438 -7.727 1.00 0.00 N ATOM 203 CA HIS A 17 16.132 6.719 -6.946 1.00 0.00 C ATOM 204 C HIS A 17 15.630 5.328 -6.568 1.00 0.00 C ATOM 205 O HIS A 17 14.481 5.145 -6.166 1.00 0.00 O ATOM 206 CB HIS A 17 16.487 7.506 -5.684 1.00 0.00 C ATOM 207 CG HIS A 17 17.903 7.312 -5.236 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.238 6.742 -4.026 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.073 7.615 -5.845 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.553 6.705 -3.909 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.084 7.227 -4.999 1.00 0.00 N ATOM 0 H HIS A 17 14.710 8.231 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 17 17.026 6.609 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.314 8.567 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.816 7.208 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.190 8.076 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.101 6.314 -3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.082 7.326 -5.183 1.00 0.00 H new ATOM 220 N PRO A 18 16.510 4.325 -6.700 1.00 0.00 N ATOM 221 CA PRO A 18 16.178 2.933 -6.378 1.00 0.00 C ATOM 222 C PRO A 18 16.001 2.712 -4.880 1.00 0.00 C ATOM 223 O PRO A 18 15.211 1.868 -4.455 1.00 0.00 O ATOM 224 CB PRO A 18 17.388 2.151 -6.895 1.00 0.00 C ATOM 225 CG PRO A 18 18.510 3.131 -6.873 1.00 0.00 C ATOM 226 CD PRO A 18 17.896 4.470 -7.174 1.00 0.00 C ATOM 0 HA PRO A 18 15.232 2.625 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.602 1.290 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.213 1.772 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.003 3.138 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.267 2.874 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.416 5.276 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.934 4.699 -8.239 1.00 0.00 H new ATOM 234 N THR A 19 16.741 3.475 -4.082 1.00 0.00 N ATOM 235 CA THR A 19 16.666 3.362 -2.631 1.00 0.00 C ATOM 236 C THR A 19 15.796 4.464 -2.037 1.00 0.00 C ATOM 237 O THR A 19 15.293 4.338 -0.920 1.00 0.00 O ATOM 238 CB THR A 19 18.065 3.426 -1.989 1.00 0.00 C ATOM 239 OG1 THR A 19 18.746 4.611 -2.416 1.00 0.00 O ATOM 240 CG2 THR A 19 18.888 2.201 -2.361 1.00 0.00 C ATOM 0 H THR A 19 17.400 4.178 -4.417 1.00 0.00 H new ATOM 0 HA THR A 19 16.218 2.392 -2.413 1.00 0.00 H new ATOM 0 HB THR A 19 17.943 3.447 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.136 5.166 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.872 2.269 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.382 1.302 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.001 2.154 -3.444 1.00 0.00 H new ATOM 248 N LYS A 20 15.621 5.544 -2.791 1.00 0.00 N ATOM 249 CA LYS A 20 14.810 6.669 -2.340 1.00 0.00 C ATOM 250 C LYS A 20 13.593 6.856 -3.240 1.00 0.00 C ATOM 251 O LYS A 20 13.699 6.795 -4.465 1.00 0.00 O ATOM 252 CB LYS A 20 15.645 7.951 -2.321 1.00 0.00 C ATOM 253 CG LYS A 20 16.346 8.200 -0.996 1.00 0.00 C ATOM 254 CD LYS A 20 17.576 7.321 -0.842 1.00 0.00 C ATOM 255 CE LYS A 20 18.823 8.010 -1.373 1.00 0.00 C ATOM 256 NZ LYS A 20 19.198 9.192 -0.548 1.00 0.00 N ATOM 0 H LYS A 20 16.030 5.664 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 20 14.464 6.454 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.391 7.900 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.998 8.799 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.636 9.248 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.655 8.007 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.717 7.071 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.423 6.382 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.651 7.301 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.653 8.325 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.217 9.376 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.663 10.024 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.977 9.003 0.450 1.00 0.00 H new ATOM 270 N PHE A 21 12.437 7.085 -2.625 1.00 0.00 N ATOM 271 CA PHE A 21 11.200 7.282 -3.371 1.00 0.00 C ATOM 272 C PHE A 21 10.359 8.392 -2.746 1.00 0.00 C ATOM 273 O PHE A 21 9.771 8.216 -1.679 1.00 0.00 O ATOM 274 CB PHE A 21 10.395 5.982 -3.417 1.00 0.00 C ATOM 275 CG PHE A 21 11.169 4.817 -3.965 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.068 4.128 -3.166 1.00 0.00 C ATOM 277 CD2 PHE A 21 10.998 4.411 -5.278 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.781 3.055 -3.667 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.708 3.338 -5.784 1.00 0.00 C ATOM 280 CZ PHE A 21 12.602 2.661 -4.978 1.00 0.00 C ATOM 0 H PHE A 21 12.331 7.139 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 21 11.461 7.576 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.053 5.740 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.505 6.136 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.213 4.433 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.302 4.938 -5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.477 2.525 -3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.564 3.029 -6.809 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.160 1.825 -5.373 1.00 0.00 H new ATOM 290 N LYS A 22 10.309 9.537 -3.419 1.00 0.00 N ATOM 291 CA LYS A 22 9.540 10.677 -2.933 1.00 0.00 C ATOM 292 C LYS A 22 8.043 10.397 -3.011 1.00 0.00 C ATOM 293 O LYS A 22 7.513 10.092 -4.079 1.00 0.00 O ATOM 294 CB LYS A 22 9.879 11.930 -3.744 1.00 0.00 C ATOM 295 CG LYS A 22 11.241 12.516 -3.417 1.00 0.00 C ATOM 296 CD LYS A 22 11.854 13.210 -4.622 1.00 0.00 C ATOM 297 CE LYS A 22 13.372 13.247 -4.532 1.00 0.00 C ATOM 298 NZ LYS A 22 13.981 11.939 -4.902 1.00 0.00 N ATOM 0 H LYS A 22 10.792 9.700 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 22 9.806 10.844 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.843 11.686 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.115 12.686 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.145 13.227 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.906 11.723 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.555 12.691 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.468 14.227 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.756 14.026 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.669 13.512 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.776 11.733 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.267 11.188 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.326 11.982 -5.882 1.00 0.00 H new ATOM 312 N VAL A 23 7.365 10.505 -1.872 1.00 0.00 N ATOM 313 CA VAL A 23 5.928 10.266 -1.813 1.00 0.00 C ATOM 314 C VAL A 23 5.178 11.528 -1.403 1.00 0.00 C ATOM 315 O VAL A 23 5.772 12.596 -1.251 1.00 0.00 O ATOM 316 CB VAL A 23 5.588 9.136 -0.823 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.211 7.824 -1.275 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.050 9.500 0.580 1.00 0.00 C ATOM 0 H VAL A 23 7.788 10.756 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 23 5.615 9.969 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 23 4.506 9.008 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.960 7.038 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.826 7.559 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.294 7.934 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.802 8.690 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.129 9.657 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.551 10.414 0.902 1.00 0.00 H new ATOM 328 N THR A 24 3.867 11.399 -1.225 1.00 0.00 N ATOM 329 CA THR A 24 3.034 12.530 -0.834 1.00 0.00 C ATOM 330 C THR A 24 1.810 12.066 -0.053 1.00 0.00 C ATOM 331 O THR A 24 0.870 11.514 -0.623 1.00 0.00 O ATOM 332 CB THR A 24 2.570 13.337 -2.061 1.00 0.00 C ATOM 333 OG1 THR A 24 3.704 13.859 -2.762 1.00 0.00 O ATOM 334 CG2 THR A 24 1.655 14.479 -1.644 1.00 0.00 C ATOM 0 H THR A 24 3.359 10.523 -1.345 1.00 0.00 H new ATOM 0 HA THR A 24 3.647 13.169 -0.199 1.00 0.00 H new ATOM 0 HB THR A 24 2.014 12.669 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.400 14.369 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.340 15.034 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.778 14.076 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.190 15.146 -0.968 1.00 0.00 H new ATOM 342 N ASN A 25 1.828 12.295 1.256 1.00 0.00 N ATOM 343 CA ASN A 25 0.718 11.900 2.117 1.00 0.00 C ATOM 344 C ASN A 25 -0.608 12.417 1.565 1.00 0.00 C ATOM 345 O ASN A 25 -0.748 13.603 1.266 1.00 0.00 O ATOM 346 CB ASN A 25 0.933 12.428 3.536 1.00 0.00 C ATOM 347 CG ASN A 25 -0.165 11.994 4.487 1.00 0.00 C ATOM 348 OD1 ASN A 25 0.008 11.057 5.267 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.303 12.675 4.428 1.00 0.00 N ATOM 0 H ASN A 25 2.598 12.752 1.744 1.00 0.00 H new ATOM 0 HA ASN A 25 0.681 10.811 2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.894 12.075 3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.980 13.517 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.077 12.429 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.403 13.445 3.766 1.00 0.00 H new ATOM 356 N VAL A 26 -1.578 11.518 1.435 1.00 0.00 N ATOM 357 CA VAL A 26 -2.893 11.882 0.921 1.00 0.00 C ATOM 358 C VAL A 26 -4.003 11.294 1.786 1.00 0.00 C ATOM 359 O VAL A 26 -3.757 10.425 2.623 1.00 0.00 O ATOM 360 CB VAL A 26 -3.081 11.404 -0.531 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.053 12.054 -1.444 1.00 0.00 C ATOM 362 CG2 VAL A 26 -2.992 9.888 -0.608 1.00 0.00 C ATOM 0 H VAL A 26 -1.478 10.533 1.678 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.953 12.970 0.948 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.073 11.704 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.201 11.704 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.170 13.137 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.050 11.787 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.127 9.568 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.015 9.562 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.770 9.446 0.014 1.00 0.00 H new ATOM 372 N ASP A 27 -5.224 11.772 1.577 1.00 0.00 N ATOM 373 CA ASP A 27 -6.373 11.293 2.337 1.00 0.00 C ATOM 374 C ASP A 27 -7.235 10.363 1.489 1.00 0.00 C ATOM 375 O ASP A 27 -6.922 10.095 0.329 1.00 0.00 O ATOM 376 CB ASP A 27 -7.211 12.472 2.834 1.00 0.00 C ATOM 377 CG ASP A 27 -8.278 12.885 1.840 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.962 12.975 0.635 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.428 13.120 2.266 1.00 0.00 O ATOM 0 H ASP A 27 -5.444 12.491 0.888 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.002 10.734 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.683 12.205 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.556 13.321 3.033 1.00 0.00 H new ATOM 384 N ASP A 28 -8.322 9.873 2.076 1.00 0.00 N ATOM 385 CA ASP A 28 -9.229 8.972 1.374 1.00 0.00 C ATOM 386 C ASP A 28 -9.505 9.472 -0.041 1.00 0.00 C ATOM 387 O ASP A 28 -9.343 8.734 -1.012 1.00 0.00 O ATOM 388 CB ASP A 28 -10.543 8.836 2.145 1.00 0.00 C ATOM 389 CG ASP A 28 -10.374 8.082 3.449 1.00 0.00 C ATOM 390 OD1 ASP A 28 -9.973 8.711 4.450 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.640 6.862 3.468 1.00 0.00 O ATOM 0 H ASP A 28 -8.596 10.084 3.035 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.752 7.994 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.944 9.828 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.274 8.320 1.523 1.00 0.00 H new ATOM 396 N GLU A 29 -9.923 10.729 -0.148 1.00 0.00 N ATOM 397 CA GLU A 29 -10.223 11.326 -1.444 1.00 0.00 C ATOM 398 C GLU A 29 -8.996 11.300 -2.352 1.00 0.00 C ATOM 399 O GLU A 29 -9.116 11.302 -3.576 1.00 0.00 O ATOM 400 CB GLU A 29 -10.710 12.766 -1.267 1.00 0.00 C ATOM 401 CG GLU A 29 -11.728 12.931 -0.152 1.00 0.00 C ATOM 402 CD GLU A 29 -12.637 14.127 -0.364 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.148 15.270 -0.250 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.836 13.919 -0.644 1.00 0.00 O ATOM 0 H GLU A 29 -10.062 11.353 0.647 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.013 10.738 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.853 13.408 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.150 13.110 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.333 12.027 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.206 13.040 0.799 1.00 0.00 H new ATOM 411 N GLY A 30 -7.815 11.277 -1.741 1.00 0.00 N ATOM 412 CA GLY A 30 -6.584 11.251 -2.508 1.00 0.00 C ATOM 413 C GLY A 30 -5.892 12.600 -2.539 1.00 0.00 C ATOM 414 O GLY A 30 -4.826 12.746 -3.136 1.00 0.00 O ATOM 0 H GLY A 30 -7.689 11.276 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.909 10.509 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.802 10.934 -3.528 1.00 0.00 H new ATOM 418 N VAL A 31 -6.502 13.591 -1.895 1.00 0.00 N ATOM 419 CA VAL A 31 -5.939 14.935 -1.852 1.00 0.00 C ATOM 420 C VAL A 31 -4.517 14.918 -1.301 1.00 0.00 C ATOM 421 O VAL A 31 -4.089 13.938 -0.693 1.00 0.00 O ATOM 422 CB VAL A 31 -6.800 15.877 -0.990 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.263 15.784 -1.397 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.627 15.555 0.486 1.00 0.00 C ATOM 0 H VAL A 31 -7.386 13.488 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.924 15.305 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.466 16.901 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.856 16.456 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.368 16.068 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.614 14.761 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.243 16.230 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.934 14.526 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.580 15.678 0.765 1.00 0.00 H new ATOM 434 N GLU A 32 -3.791 16.010 -1.518 1.00 0.00 N ATOM 435 CA GLU A 32 -2.417 16.119 -1.043 1.00 0.00 C ATOM 436 C GLU A 32 -2.334 17.033 0.176 1.00 0.00 C ATOM 437 O GLU A 32 -2.492 18.250 0.067 1.00 0.00 O ATOM 438 CB GLU A 32 -1.510 16.651 -2.155 1.00 0.00 C ATOM 439 CG GLU A 32 -1.669 15.915 -3.474 1.00 0.00 C ATOM 440 CD GLU A 32 -0.861 16.543 -4.594 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.209 17.117 -4.303 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.299 16.460 -5.760 1.00 0.00 O ATOM 0 H GLU A 32 -4.131 16.831 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.080 15.124 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.723 17.709 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.472 16.579 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.361 14.877 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.722 15.902 -3.754 1.00 0.00 H new ATOM 449 N LEU A 33 -2.086 16.438 1.338 1.00 0.00 N ATOM 450 CA LEU A 33 -1.983 17.197 2.580 1.00 0.00 C ATOM 451 C LEU A 33 -0.533 17.573 2.869 1.00 0.00 C ATOM 452 O LEU A 33 -0.187 18.752 2.930 1.00 0.00 O ATOM 453 CB LEU A 33 -2.554 16.387 3.745 1.00 0.00 C ATOM 454 CG LEU A 33 -3.855 15.634 3.465 1.00 0.00 C ATOM 455 CD1 LEU A 33 -4.150 14.645 4.581 1.00 0.00 C ATOM 456 CD2 LEU A 33 -5.010 16.611 3.296 1.00 0.00 C ATOM 0 H LEU A 33 -1.953 15.433 1.446 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.561 18.114 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.801 15.666 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.722 17.063 4.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.737 15.077 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.080 14.119 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.334 13.926 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.248 15.181 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.928 16.058 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.129 17.196 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.801 17.280 2.461 1.00 0.00 H new ATOM 468 N GLY A 34 0.312 16.561 3.044 1.00 0.00 N ATOM 469 CA GLY A 34 1.715 16.806 3.323 1.00 0.00 C ATOM 470 C GLY A 34 2.632 15.926 2.496 1.00 0.00 C ATOM 471 O GLY A 34 2.479 14.705 2.475 1.00 0.00 O ATOM 0 H GLY A 34 0.050 15.576 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.945 17.853 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.908 16.633 4.382 1.00 0.00 H new ATOM 475 N SER A 35 3.587 16.548 1.812 1.00 0.00 N ATOM 476 CA SER A 35 4.529 15.814 0.975 1.00 0.00 C ATOM 477 C SER A 35 5.692 15.281 1.806 1.00 0.00 C ATOM 478 O SER A 35 6.167 15.944 2.726 1.00 0.00 O ATOM 479 CB SER A 35 5.057 16.713 -0.145 1.00 0.00 C ATOM 480 OG SER A 35 4.025 17.528 -0.674 1.00 0.00 O ATOM 0 H SER A 35 3.729 17.558 1.821 1.00 0.00 H new ATOM 0 HA SER A 35 4.002 14.968 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.861 17.342 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.483 16.099 -0.939 1.00 0.00 H new ATOM 0 HG SER A 35 4.388 18.094 -1.387 1.00 0.00 H new ATOM 486 N GLY A 36 6.146 14.076 1.472 1.00 0.00 N ATOM 487 CA GLY A 36 7.250 13.473 2.196 1.00 0.00 C ATOM 488 C GLY A 36 8.054 12.518 1.337 1.00 0.00 C ATOM 489 O GLY A 36 7.657 12.193 0.218 1.00 0.00 O ATOM 0 H GLY A 36 5.769 13.507 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.906 14.258 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.863 12.938 3.063 1.00 0.00 H new ATOM 493 N VAL A 37 9.190 12.067 1.860 1.00 0.00 N ATOM 494 CA VAL A 37 10.052 11.143 1.133 1.00 0.00 C ATOM 495 C VAL A 37 10.176 9.813 1.867 1.00 0.00 C ATOM 496 O VAL A 37 10.565 9.770 3.034 1.00 0.00 O ATOM 497 CB VAL A 37 11.459 11.735 0.925 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.261 10.878 -0.043 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.365 13.169 0.428 1.00 0.00 C ATOM 0 H VAL A 37 9.534 12.327 2.784 1.00 0.00 H new ATOM 0 HA VAL A 37 9.588 10.976 0.161 1.00 0.00 H new ATOM 0 HB VAL A 37 11.978 11.740 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.252 11.312 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.358 9.869 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.749 10.838 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.368 13.572 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.828 13.191 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.831 13.774 1.161 1.00 0.00 H new ATOM 509 N MET A 38 9.843 8.728 1.175 1.00 0.00 N ATOM 510 CA MET A 38 9.919 7.395 1.762 1.00 0.00 C ATOM 511 C MET A 38 11.214 6.697 1.360 1.00 0.00 C ATOM 512 O MET A 38 11.488 6.511 0.175 1.00 0.00 O ATOM 513 CB MET A 38 8.717 6.554 1.326 1.00 0.00 C ATOM 514 CG MET A 38 8.562 5.263 2.113 1.00 0.00 C ATOM 515 SD MET A 38 6.938 4.509 1.897 1.00 0.00 S ATOM 516 CE MET A 38 5.956 5.487 3.032 1.00 0.00 C ATOM 0 H MET A 38 9.518 8.746 0.208 1.00 0.00 H new ATOM 0 HA MET A 38 9.906 7.501 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.810 7.148 1.435 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.816 6.315 0.267 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.331 4.557 1.800 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.727 5.465 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.898 5.345 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.161 5.172 4.055 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.211 6.541 2.919 1.00 0.00 H new ATOM 526 N GLU A 39 12.008 6.314 2.356 1.00 0.00 N ATOM 527 CA GLU A 39 13.275 5.638 2.105 1.00 0.00 C ATOM 528 C GLU A 39 13.207 4.176 2.538 1.00 0.00 C ATOM 529 O GLU A 39 12.782 3.866 3.652 1.00 0.00 O ATOM 530 CB GLU A 39 14.412 6.348 2.842 1.00 0.00 C ATOM 531 CG GLU A 39 15.782 5.747 2.573 1.00 0.00 C ATOM 532 CD GLU A 39 16.894 6.480 3.297 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.630 7.032 4.386 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.028 6.502 2.774 1.00 0.00 O ATOM 0 H GLU A 39 11.796 6.460 3.343 1.00 0.00 H new ATOM 0 HA GLU A 39 13.470 5.672 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.422 7.398 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.215 6.316 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.782 4.701 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.978 5.765 1.501 1.00 0.00 H new ATOM 541 N LEU A 40 13.629 3.282 1.651 1.00 0.00 N ATOM 542 CA LEU A 40 13.616 1.852 1.940 1.00 0.00 C ATOM 543 C LEU A 40 14.989 1.379 2.405 1.00 0.00 C ATOM 544 O LEU A 40 15.834 0.996 1.595 1.00 0.00 O ATOM 545 CB LEU A 40 13.185 1.065 0.701 1.00 0.00 C ATOM 546 CG LEU A 40 11.680 0.857 0.527 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.008 2.153 0.101 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.408 -0.246 -0.485 1.00 0.00 C ATOM 0 H LEU A 40 13.984 3.522 0.726 1.00 0.00 H new ATOM 0 HA LEU A 40 12.900 1.675 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.565 1.580 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.665 0.087 0.731 1.00 0.00 H new ATOM 0 HG LEU A 40 11.261 0.553 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.937 1.986 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.174 2.916 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.430 2.488 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.332 -0.380 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.841 0.028 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.856 -1.177 -0.138 1.00 0.00 H new ATOM 560 N THR A 41 15.205 1.405 3.717 1.00 0.00 N ATOM 561 CA THR A 41 16.475 0.978 4.291 1.00 0.00 C ATOM 562 C THR A 41 16.327 -0.348 5.028 1.00 0.00 C ATOM 563 O THR A 41 15.376 -0.545 5.784 1.00 0.00 O ATOM 564 CB THR A 41 17.035 2.033 5.264 1.00 0.00 C ATOM 565 OG1 THR A 41 16.044 2.375 6.239 1.00 0.00 O ATOM 566 CG2 THR A 41 17.469 3.283 4.514 1.00 0.00 C ATOM 0 H THR A 41 14.517 1.717 4.402 1.00 0.00 H new ATOM 0 HA THR A 41 17.171 0.854 3.461 1.00 0.00 H new ATOM 0 HB THR A 41 17.905 1.608 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.298 1.742 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.861 4.014 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.244 3.024 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.613 3.708 3.990 1.00 0.00 H new ATOM 574 N GLN A 42 17.272 -1.254 4.802 1.00 0.00 N ATOM 575 CA GLN A 42 17.246 -2.562 5.446 1.00 0.00 C ATOM 576 C GLN A 42 16.758 -2.450 6.887 1.00 0.00 C ATOM 577 O GLN A 42 16.132 -3.369 7.414 1.00 0.00 O ATOM 578 CB GLN A 42 18.636 -3.199 5.413 1.00 0.00 C ATOM 579 CG GLN A 42 19.038 -3.712 4.040 1.00 0.00 C ATOM 580 CD GLN A 42 19.710 -2.649 3.194 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.377 -1.754 3.714 1.00 0.00 O ATOM 582 NE2 GLN A 42 19.536 -2.741 1.880 1.00 0.00 N ATOM 0 H GLN A 42 18.065 -1.107 4.178 1.00 0.00 H new ATOM 0 HA GLN A 42 16.551 -3.196 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.370 -2.466 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.665 -4.025 6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 42 19.714 -4.559 4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.153 -4.079 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.975 -3.499 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.963 -2.053 1.260 1.00 0.00 H new ATOM 591 N SER A 43 17.051 -1.318 7.519 1.00 0.00 N ATOM 592 CA SER A 43 16.646 -1.088 8.901 1.00 0.00 C ATOM 593 C SER A 43 15.127 -1.002 9.015 1.00 0.00 C ATOM 594 O SER A 43 14.493 -1.848 9.644 1.00 0.00 O ATOM 595 CB SER A 43 17.283 0.198 9.433 1.00 0.00 C ATOM 596 OG SER A 43 18.648 -0.004 9.755 1.00 0.00 O ATOM 0 H SER A 43 17.567 -0.546 7.096 1.00 0.00 H new ATOM 0 HA SER A 43 16.990 -1.931 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.195 0.987 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.744 0.536 10.318 1.00 0.00 H new ATOM 0 HG SER A 43 19.032 0.833 10.091 1.00 0.00 H new ATOM 602 N GLU A 44 14.551 0.027 8.401 1.00 0.00 N ATOM 603 CA GLU A 44 13.107 0.225 8.435 1.00 0.00 C ATOM 604 C GLU A 44 12.691 1.356 7.499 1.00 0.00 C ATOM 605 O GLU A 44 13.529 1.975 6.843 1.00 0.00 O ATOM 606 CB GLU A 44 12.644 0.531 9.861 1.00 0.00 C ATOM 607 CG GLU A 44 13.289 1.772 10.456 1.00 0.00 C ATOM 608 CD GLU A 44 14.626 1.479 11.108 1.00 0.00 C ATOM 609 OE1 GLU A 44 14.792 0.362 11.643 1.00 0.00 O ATOM 610 OE2 GLU A 44 15.505 2.365 11.085 1.00 0.00 O ATOM 0 H GLU A 44 15.062 0.736 7.875 1.00 0.00 H new ATOM 0 HA GLU A 44 12.632 -0.696 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.561 0.657 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.866 -0.325 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.427 2.517 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.616 2.208 11.195 1.00 0.00 H new ATOM 617 N LEU A 45 11.390 1.620 7.442 1.00 0.00 N ATOM 618 CA LEU A 45 10.860 2.676 6.587 1.00 0.00 C ATOM 619 C LEU A 45 10.853 4.016 7.316 1.00 0.00 C ATOM 620 O LEU A 45 10.331 4.127 8.426 1.00 0.00 O ATOM 621 CB LEU A 45 9.444 2.325 6.127 1.00 0.00 C ATOM 622 CG LEU A 45 9.338 1.541 4.819 1.00 0.00 C ATOM 623 CD1 LEU A 45 7.950 0.937 4.669 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.662 2.438 3.632 1.00 0.00 C ATOM 0 H LEU A 45 10.683 1.117 7.978 1.00 0.00 H new ATOM 0 HA LEU A 45 11.508 2.762 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.961 1.746 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.879 3.251 6.019 1.00 0.00 H new ATOM 0 HG LEU A 45 10.064 0.729 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.894 0.383 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.755 0.262 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.205 1.733 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.582 1.863 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.960 3.271 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.677 2.822 3.733 1.00 0.00 H new ATOM 636 N VAL A 46 11.434 5.031 6.685 1.00 0.00 N ATOM 637 CA VAL A 46 11.492 6.364 7.272 1.00 0.00 C ATOM 638 C VAL A 46 10.911 7.408 6.325 1.00 0.00 C ATOM 639 O VAL A 46 11.007 7.276 5.104 1.00 0.00 O ATOM 640 CB VAL A 46 12.938 6.758 7.629 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.984 8.174 8.184 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.530 5.768 8.620 1.00 0.00 C ATOM 0 H VAL A 46 11.871 4.955 5.767 1.00 0.00 H new ATOM 0 HA VAL A 46 10.896 6.334 8.184 1.00 0.00 H new ATOM 0 HB VAL A 46 13.539 6.730 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.013 8.435 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.602 8.870 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.370 8.233 9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.552 6.061 8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.930 5.761 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.533 4.771 8.180 1.00 0.00 H new ATOM 652 N LEU A 47 10.309 8.446 6.894 1.00 0.00 N ATOM 653 CA LEU A 47 9.712 9.514 6.100 1.00 0.00 C ATOM 654 C LEU A 47 10.438 10.835 6.333 1.00 0.00 C ATOM 655 O LEU A 47 11.015 11.060 7.397 1.00 0.00 O ATOM 656 CB LEU A 47 8.230 9.666 6.446 1.00 0.00 C ATOM 657 CG LEU A 47 7.265 8.768 5.671 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.824 9.108 6.018 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.500 8.899 4.173 1.00 0.00 C ATOM 0 H LEU A 47 10.221 8.571 7.902 1.00 0.00 H new ATOM 0 HA LEU A 47 9.807 9.248 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.104 9.468 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.943 10.704 6.279 1.00 0.00 H new ATOM 0 HG LEU A 47 7.452 7.733 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.152 8.459 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.663 8.961 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.623 10.148 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.804 8.253 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.341 9.934 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.523 8.604 3.938 1.00 0.00 H new ATOM 671 N HIS A 48 10.404 11.708 5.330 1.00 0.00 N ATOM 672 CA HIS A 48 11.056 13.009 5.427 1.00 0.00 C ATOM 673 C HIS A 48 10.075 14.133 5.109 1.00 0.00 C ATOM 674 O HIS A 48 9.663 14.306 3.961 1.00 0.00 O ATOM 675 CB HIS A 48 12.252 13.075 4.475 1.00 0.00 C ATOM 676 CG HIS A 48 13.261 11.993 4.706 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.199 12.040 5.715 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.474 10.827 4.051 1.00 0.00 C ATOM 679 CE1 HIS A 48 14.947 10.952 5.670 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.527 10.200 4.669 1.00 0.00 N ATOM 0 H HIS A 48 9.932 11.538 4.442 1.00 0.00 H new ATOM 0 HA HIS A 48 11.408 13.137 6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.892 13.012 3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.739 14.044 4.583 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.919 10.459 3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.763 10.718 6.338 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.921 9.299 4.399 1.00 0.00 H new ATOM 689 N LEU A 49 9.704 14.895 6.132 1.00 0.00 N ATOM 690 CA LEU A 49 8.771 16.003 5.962 1.00 0.00 C ATOM 691 C LEU A 49 9.148 17.176 6.861 1.00 0.00 C ATOM 692 O LEU A 49 10.059 17.073 7.683 1.00 0.00 O ATOM 693 CB LEU A 49 7.344 15.546 6.272 1.00 0.00 C ATOM 694 CG LEU A 49 7.172 14.689 7.527 1.00 0.00 C ATOM 695 CD1 LEU A 49 5.754 14.808 8.064 1.00 0.00 C ATOM 696 CD2 LEU A 49 7.512 13.235 7.231 1.00 0.00 C ATOM 0 H LEU A 49 10.035 14.766 7.088 1.00 0.00 H new ATOM 0 HA LEU A 49 8.823 16.333 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.714 16.430 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.970 14.982 5.417 1.00 0.00 H new ATOM 0 HG LEU A 49 7.860 15.054 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.650 14.192 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.546 15.848 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.048 14.470 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.384 12.640 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.850 12.858 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.546 13.165 6.894 1.00 0.00 H new ATOM 789 N ALA A 54 10.007 13.535 11.697 1.00 0.00 N ATOM 790 CA ALA A 54 10.322 12.295 11.000 1.00 0.00 C ATOM 791 C ALA A 54 9.641 11.103 11.664 1.00 0.00 C ATOM 792 O ALA A 54 9.594 11.006 12.891 1.00 0.00 O ATOM 793 CB ALA A 54 11.828 12.085 10.952 1.00 0.00 C ATOM 0 HA ALA A 54 9.944 12.374 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.049 11.155 10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.295 12.918 10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.221 12.032 11.967 1.00 0.00 H new ATOM 799 N VAL A 55 9.112 10.198 10.847 1.00 0.00 N ATOM 800 CA VAL A 55 8.433 9.012 11.355 1.00 0.00 C ATOM 801 C VAL A 55 9.148 7.739 10.917 1.00 0.00 C ATOM 802 O VAL A 55 9.877 7.735 9.925 1.00 0.00 O ATOM 803 CB VAL A 55 6.970 8.956 10.879 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.181 7.942 11.694 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.329 10.333 10.962 1.00 0.00 C ATOM 0 H VAL A 55 9.141 10.264 9.830 1.00 0.00 H new ATOM 0 HA VAL A 55 8.451 9.079 12.443 1.00 0.00 H new ATOM 0 HB VAL A 55 6.958 8.637 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.149 7.917 11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.628 6.955 11.578 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.199 8.227 12.746 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.295 10.274 10.622 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.352 10.683 11.994 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.880 11.030 10.330 1.00 0.00 H new ATOM 815 N ARG A 56 8.935 6.660 11.663 1.00 0.00 N ATOM 816 CA ARG A 56 9.559 5.380 11.352 1.00 0.00 C ATOM 817 C ARG A 56 8.558 4.238 11.493 1.00 0.00 C ATOM 818 O ARG A 56 7.555 4.362 12.196 1.00 0.00 O ATOM 819 CB ARG A 56 10.759 5.137 12.270 1.00 0.00 C ATOM 820 CG ARG A 56 11.750 6.289 12.294 1.00 0.00 C ATOM 821 CD ARG A 56 12.457 6.387 13.637 1.00 0.00 C ATOM 822 NE ARG A 56 13.776 7.002 13.517 1.00 0.00 N ATOM 823 CZ ARG A 56 14.449 7.505 14.546 1.00 0.00 C ATOM 824 NH1 ARG A 56 13.929 7.466 15.765 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.644 8.049 14.357 1.00 0.00 N ATOM 0 H ARG A 56 8.335 6.647 12.487 1.00 0.00 H new ATOM 0 HA ARG A 56 9.902 5.414 10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.400 4.956 13.283 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.274 4.232 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.487 6.153 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.229 7.224 12.087 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.846 6.970 14.326 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.559 5.390 14.066 1.00 0.00 H new ATOM 0 HE ARG A 56 14.204 7.048 12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.010 7.049 15.914 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.448 7.853 16.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.047 8.081 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.160 8.435 15.148 1.00 0.00 H new ATOM 839 N TRP A 57 8.837 3.127 10.820 1.00 0.00 N ATOM 840 CA TRP A 57 7.959 1.963 10.870 1.00 0.00 C ATOM 841 C TRP A 57 8.744 0.679 10.623 1.00 0.00 C ATOM 842 O TRP A 57 9.272 0.446 9.536 1.00 0.00 O ATOM 843 CB TRP A 57 6.840 2.097 9.836 1.00 0.00 C ATOM 844 CG TRP A 57 5.820 3.135 10.197 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.837 3.026 11.139 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.682 4.438 9.620 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.097 4.182 11.182 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.596 5.065 10.260 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.372 5.137 8.626 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.184 6.355 9.937 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.963 6.418 8.305 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.878 7.016 8.960 1.00 0.00 C ATOM 0 H TRP A 57 9.663 3.008 10.234 1.00 0.00 H new ATOM 0 HA TRP A 57 7.519 1.913 11.866 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.276 2.347 8.869 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.343 1.134 9.722 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.667 2.158 11.759 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.304 4.355 11.800 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.210 4.684 8.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.347 6.817 10.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.488 6.967 7.537 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.583 8.019 8.688 1.00 0.00 H new ATOM 863 N PRO A 58 8.824 -0.174 11.654 1.00 0.00 N ATOM 864 CA PRO A 58 9.542 -1.450 11.573 1.00 0.00 C ATOM 865 C PRO A 58 8.838 -2.455 10.668 1.00 0.00 C ATOM 866 O PRO A 58 7.657 -2.752 10.855 1.00 0.00 O ATOM 867 CB PRO A 58 9.549 -1.946 13.021 1.00 0.00 C ATOM 868 CG PRO A 58 8.363 -1.300 13.649 1.00 0.00 C ATOM 869 CD PRO A 58 8.219 0.039 12.980 1.00 0.00 C ATOM 0 HA PRO A 58 10.537 -1.331 11.144 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.479 -3.033 13.067 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.470 -1.664 13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.468 -1.906 13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.504 -1.186 14.724 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.174 0.338 12.901 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.734 0.823 13.535 1.00 0.00 H new ATOM 877 N TYR A 59 9.568 -2.976 9.689 1.00 0.00 N ATOM 878 CA TYR A 59 9.012 -3.947 8.754 1.00 0.00 C ATOM 879 C TYR A 59 8.152 -4.974 9.483 1.00 0.00 C ATOM 880 O TYR A 59 7.209 -5.527 8.915 1.00 0.00 O ATOM 881 CB TYR A 59 10.135 -4.654 7.992 1.00 0.00 C ATOM 882 CG TYR A 59 10.830 -3.770 6.981 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.103 -2.943 6.135 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.216 -3.762 6.874 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.734 -2.135 5.210 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.856 -2.956 5.952 1.00 0.00 C ATOM 887 CZ TYR A 59 12.111 -2.145 5.122 1.00 0.00 C ATOM 888 OH TYR A 59 12.744 -1.340 4.203 1.00 0.00 O ATOM 0 H TYR A 59 10.547 -2.742 9.522 1.00 0.00 H new ATOM 0 HA TYR A 59 8.382 -3.411 8.044 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.871 -5.023 8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.724 -5.524 7.480 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.025 -2.932 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.802 -4.396 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.153 -1.499 4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.934 -2.961 5.882 1.00 0.00 H new ATOM 0 HH TYR A 59 13.591 -1.019 4.578 1.00 0.00 H new ATOM 898 N LEU A 60 8.483 -5.224 10.745 1.00 0.00 N ATOM 899 CA LEU A 60 7.741 -6.185 11.554 1.00 0.00 C ATOM 900 C LEU A 60 6.292 -5.743 11.732 1.00 0.00 C ATOM 901 O LEU A 60 5.368 -6.406 11.260 1.00 0.00 O ATOM 902 CB LEU A 60 8.407 -6.351 12.921 1.00 0.00 C ATOM 903 CG LEU A 60 8.285 -7.734 13.563 1.00 0.00 C ATOM 904 CD1 LEU A 60 9.209 -7.847 14.766 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.844 -8.009 13.968 1.00 0.00 C ATOM 0 H LEU A 60 9.260 -4.775 11.230 1.00 0.00 H new ATOM 0 HA LEU A 60 7.748 -7.143 11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.466 -6.112 12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.979 -5.617 13.603 1.00 0.00 H new ATOM 0 HG LEU A 60 8.584 -8.482 12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.109 -8.837 15.210 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.240 -7.694 14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.941 -7.090 15.503 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.776 -8.997 14.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.518 -7.256 14.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.205 -7.971 13.086 1.00 0.00 H new ATOM 917 N CYS A 61 6.101 -4.618 12.413 1.00 0.00 N ATOM 918 CA CYS A 61 4.764 -4.086 12.652 1.00 0.00 C ATOM 919 C CYS A 61 3.951 -4.060 11.362 1.00 0.00 C ATOM 920 O CYS A 61 2.777 -4.433 11.347 1.00 0.00 O ATOM 921 CB CYS A 61 4.851 -2.679 13.244 1.00 0.00 C ATOM 922 SG CYS A 61 5.207 -2.644 15.016 1.00 0.00 S ATOM 0 H CYS A 61 6.855 -4.057 12.809 1.00 0.00 H new ATOM 0 HA CYS A 61 4.261 -4.740 13.364 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.626 -2.122 12.718 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.909 -2.162 13.063 1.00 0.00 H new ATOM 0 HG CYS A 61 5.263 -1.411 15.423 1.00 0.00 H new ATOM 928 N LEU A 62 4.582 -3.615 10.281 1.00 0.00 N ATOM 929 CA LEU A 62 3.917 -3.538 8.985 1.00 0.00 C ATOM 930 C LEU A 62 3.041 -4.764 8.748 1.00 0.00 C ATOM 931 O LEU A 62 3.516 -5.795 8.272 1.00 0.00 O ATOM 932 CB LEU A 62 4.951 -3.412 7.865 1.00 0.00 C ATOM 933 CG LEU A 62 5.583 -2.031 7.687 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.710 -2.087 6.667 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.532 -1.013 7.269 1.00 0.00 C ATOM 0 H LEU A 62 5.553 -3.302 10.276 1.00 0.00 H new ATOM 0 HA LEU A 62 3.280 -2.654 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.747 -4.133 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.476 -3.696 6.926 1.00 0.00 H new ATOM 0 HG LEU A 62 6.002 -1.718 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.148 -1.095 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.475 -2.784 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.316 -2.422 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.000 -0.036 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.083 -1.321 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.759 -0.952 8.035 1.00 0.00 H new ATOM 947 N ARG A 63 1.760 -4.643 9.081 1.00 0.00 N ATOM 948 CA ARG A 63 0.818 -5.742 8.904 1.00 0.00 C ATOM 949 C ARG A 63 0.842 -6.252 7.466 1.00 0.00 C ATOM 950 O ARG A 63 0.948 -7.454 7.225 1.00 0.00 O ATOM 951 CB ARG A 63 -0.597 -5.293 9.274 1.00 0.00 C ATOM 952 CG ARG A 63 -0.861 -5.283 10.770 1.00 0.00 C ATOM 953 CD ARG A 63 -2.351 -5.301 11.073 1.00 0.00 C ATOM 954 NE ARG A 63 -2.646 -4.773 12.403 1.00 0.00 N ATOM 955 CZ ARG A 63 -3.876 -4.655 12.890 1.00 0.00 C ATOM 956 NH1 ARG A 63 -4.920 -5.026 12.162 1.00 0.00 N ATOM 957 NH2 ARG A 63 -4.064 -4.166 14.109 1.00 0.00 N ATOM 0 H ARG A 63 1.351 -3.796 9.475 1.00 0.00 H new ATOM 0 HA ARG A 63 1.118 -6.555 9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.767 -4.292 8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.317 -5.954 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.385 -6.149 11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.409 -4.396 11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.880 -4.712 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.724 -6.322 10.998 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.865 -4.479 12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.780 -5.403 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.863 -4.934 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.264 -3.880 14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.009 -4.076 14.482 1.00 0.00 H new ATOM 971 N ARG A 64 0.742 -5.329 6.515 1.00 0.00 N ATOM 972 CA ARG A 64 0.750 -5.686 5.101 1.00 0.00 C ATOM 973 C ARG A 64 1.297 -4.540 4.255 1.00 0.00 C ATOM 974 O ARG A 64 1.400 -3.405 4.721 1.00 0.00 O ATOM 975 CB ARG A 64 -0.662 -6.049 4.636 1.00 0.00 C ATOM 976 CG ARG A 64 -1.611 -4.863 4.590 1.00 0.00 C ATOM 977 CD ARG A 64 -2.816 -5.148 3.707 1.00 0.00 C ATOM 978 NE ARG A 64 -3.906 -5.771 4.453 1.00 0.00 N ATOM 979 CZ ARG A 64 -4.554 -5.172 5.445 1.00 0.00 C ATOM 980 NH1 ARG A 64 -4.224 -3.940 5.808 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.536 -5.804 6.076 1.00 0.00 N ATOM 0 H ARG A 64 0.655 -4.329 6.698 1.00 0.00 H new ATOM 0 HA ARG A 64 1.400 -6.552 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.605 -6.497 3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.072 -6.806 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.946 -4.625 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.082 -3.987 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.167 -4.217 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.518 -5.801 2.887 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.185 -6.718 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.471 -3.450 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.723 -3.482 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.794 -6.751 5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.033 -5.342 6.838 1.00 0.00 H new ATOM 995 N TYR A 65 1.646 -4.845 3.010 1.00 0.00 N ATOM 996 CA TYR A 65 2.185 -3.841 2.100 1.00 0.00 C ATOM 997 C TYR A 65 1.662 -4.055 0.682 1.00 0.00 C ATOM 998 O TYR A 65 1.826 -5.129 0.103 1.00 0.00 O ATOM 999 CB TYR A 65 3.714 -3.887 2.104 1.00 0.00 C ATOM 1000 CG TYR A 65 4.280 -5.247 1.764 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.525 -6.187 2.758 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.571 -5.592 0.450 1.00 0.00 C ATOM 1003 CE1 TYR A 65 5.043 -7.431 2.452 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.087 -6.834 0.135 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.322 -7.750 1.140 1.00 0.00 C ATOM 1006 OH TYR A 65 5.838 -8.987 0.830 1.00 0.00 O ATOM 0 H TYR A 65 1.565 -5.779 2.608 1.00 0.00 H new ATOM 0 HA TYR A 65 1.857 -2.861 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.093 -3.156 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.075 -3.588 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.307 -5.941 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.391 -4.877 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.228 -8.150 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.305 -7.087 -0.892 1.00 0.00 H new ATOM 0 HH TYR A 65 5.106 -9.630 0.726 1.00 0.00 H new ATOM 1016 N GLY A 66 1.033 -3.023 0.128 1.00 0.00 N ATOM 1017 CA GLY A 66 0.496 -3.117 -1.217 1.00 0.00 C ATOM 1018 C GLY A 66 1.016 -2.022 -2.126 1.00 0.00 C ATOM 1019 O GLY A 66 2.003 -1.358 -1.808 1.00 0.00 O ATOM 0 H GLY A 66 0.886 -2.124 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.752 -4.088 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.592 -3.064 -1.175 1.00 0.00 H new ATOM 1023 N TYR A 67 0.353 -1.833 -3.261 1.00 0.00 N ATOM 1024 CA TYR A 67 0.757 -0.813 -4.222 1.00 0.00 C ATOM 1025 C TYR A 67 -0.376 -0.504 -5.196 1.00 0.00 C ATOM 1026 O TYR A 67 -1.389 -1.202 -5.230 1.00 0.00 O ATOM 1027 CB TYR A 67 1.997 -1.270 -4.992 1.00 0.00 C ATOM 1028 CG TYR A 67 1.685 -2.191 -6.150 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.192 -3.471 -5.931 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.882 -1.780 -7.462 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.907 -4.317 -6.986 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.598 -2.618 -8.524 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.111 -3.885 -8.280 1.00 0.00 C ATOM 1034 OH TYR A 67 0.827 -4.724 -9.334 1.00 0.00 O ATOM 0 H TYR A 67 -0.467 -2.373 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 67 0.996 0.096 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.525 -0.393 -5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.673 -1.779 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.029 -3.811 -4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.264 -0.788 -7.656 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.527 -5.310 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.756 -2.283 -9.538 1.00 0.00 H new ATOM 0 HH TYR A 67 1.025 -4.267 -10.178 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.196 0.548 -5.988 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.200 0.951 -6.965 1.00 0.00 C ATOM 1046 C ASP A 68 -0.606 1.910 -7.992 1.00 0.00 C ATOM 1047 O ASP A 68 0.480 2.453 -7.792 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.390 1.608 -6.264 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.446 0.601 -5.849 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.453 -0.516 -6.408 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.264 0.930 -4.965 1.00 0.00 O ATOM 0 H ASP A 68 0.637 1.137 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.543 0.057 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.038 2.145 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.838 2.346 -6.929 1.00 0.00 H new ATOM 1056 N SER A 69 -1.325 2.112 -9.091 1.00 0.00 N ATOM 1057 CA SER A 69 -0.867 3.001 -10.152 1.00 0.00 C ATOM 1058 C SER A 69 -0.165 4.225 -9.569 1.00 0.00 C ATOM 1059 O SER A 69 1.035 4.415 -9.761 1.00 0.00 O ATOM 1060 CB SER A 69 -2.046 3.442 -11.022 1.00 0.00 C ATOM 1061 OG SER A 69 -1.661 4.467 -11.921 1.00 0.00 O ATOM 0 H SER A 69 -2.228 1.672 -9.270 1.00 0.00 H new ATOM 0 HA SER A 69 -0.154 2.453 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.429 2.588 -11.581 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.858 3.797 -10.387 1.00 0.00 H new ATOM 0 HG SER A 69 -2.431 4.730 -12.467 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.925 5.051 -8.857 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.377 6.257 -8.247 1.00 0.00 C ATOM 1069 C ASN A 70 -0.794 6.364 -6.783 1.00 0.00 C ATOM 1070 O ASN A 70 -1.062 7.456 -6.280 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.841 7.498 -9.013 1.00 0.00 C ATOM 1072 CG ASN A 70 -0.132 8.758 -8.556 1.00 0.00 C ATOM 1073 OD1 ASN A 70 1.081 8.759 -8.345 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.888 9.839 -8.402 1.00 0.00 N ATOM 0 H ASN A 70 -1.921 4.907 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 70 0.710 6.195 -8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.664 7.351 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.916 7.622 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.467 10.717 -8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.890 9.792 -8.589 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.848 5.223 -6.104 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.232 5.187 -4.698 1.00 0.00 C ATOM 1083 C LEU A 71 -0.460 4.104 -3.950 1.00 0.00 C ATOM 1084 O LEU A 71 -0.245 3.009 -4.469 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.736 4.940 -4.565 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.354 5.278 -3.209 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.028 4.197 -2.189 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -2.868 6.635 -2.723 1.00 0.00 C ATOM 0 H LEU A 71 -0.631 4.311 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.988 6.153 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.249 5.522 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.932 3.889 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.437 5.324 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.476 4.455 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.427 3.242 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.947 4.119 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.319 6.858 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.783 6.618 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.153 7.403 -3.442 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.046 4.418 -2.727 1.00 0.00 N ATOM 1101 CA PHE A 72 0.702 3.472 -1.906 1.00 0.00 C ATOM 1102 C PHE A 72 0.350 3.636 -0.431 1.00 0.00 C ATOM 1103 O PHE A 72 0.553 4.701 0.152 1.00 0.00 O ATOM 1104 CB PHE A 72 2.206 3.666 -2.109 1.00 0.00 C ATOM 1105 CG PHE A 72 3.045 2.952 -1.088 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.444 1.641 -1.294 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.436 3.592 0.077 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.215 0.981 -0.356 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.208 2.937 1.019 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.599 1.631 0.801 1.00 0.00 C ATOM 0 H PHE A 72 -0.216 5.320 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 72 0.428 2.464 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.479 3.313 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.435 4.731 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.149 1.129 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.134 4.614 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.517 -0.042 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.505 3.446 1.924 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.204 1.118 1.534 1.00 0.00 H new ATOM 1120 N SER A 73 -0.178 2.573 0.167 1.00 0.00 N ATOM 1121 CA SER A 73 -0.562 2.599 1.574 1.00 0.00 C ATOM 1122 C SER A 73 -0.037 1.366 2.303 1.00 0.00 C ATOM 1123 O SER A 73 0.200 0.324 1.693 1.00 0.00 O ATOM 1124 CB SER A 73 -2.085 2.675 1.707 1.00 0.00 C ATOM 1125 OG SER A 73 -2.475 2.737 3.068 1.00 0.00 O ATOM 0 H SER A 73 -0.350 1.683 -0.301 1.00 0.00 H new ATOM 0 HA SER A 73 -0.120 3.485 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.456 3.553 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.539 1.804 1.235 1.00 0.00 H new ATOM 0 HG SER A 73 -2.773 1.851 3.364 1.00 0.00 H new ATOM 1131 N PHE A 74 0.141 1.494 3.614 1.00 0.00 N ATOM 1132 CA PHE A 74 0.639 0.391 4.428 1.00 0.00 C ATOM 1133 C PHE A 74 -0.005 0.402 5.811 1.00 0.00 C ATOM 1134 O PHE A 74 -0.270 1.464 6.375 1.00 0.00 O ATOM 1135 CB PHE A 74 2.161 0.475 4.562 1.00 0.00 C ATOM 1136 CG PHE A 74 2.637 1.745 5.207 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.529 1.925 6.576 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.193 2.759 4.444 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.966 3.093 7.173 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.633 3.928 5.035 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.518 4.096 6.401 1.00 0.00 C ATOM 0 H PHE A 74 -0.052 2.350 4.135 1.00 0.00 H new ATOM 0 HA PHE A 74 0.375 -0.542 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.514 -0.374 5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.610 0.389 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.098 1.144 7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.284 2.634 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.876 3.221 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.067 4.710 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.859 5.010 6.864 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.256 -0.787 6.350 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.871 -0.914 7.666 1.00 0.00 C ATOM 1153 C GLU A 75 0.179 -1.214 8.731 1.00 0.00 C ATOM 1154 O GLU A 75 1.144 -1.937 8.480 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.931 -2.017 7.654 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.649 -2.186 8.983 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.958 -2.940 8.847 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.929 -4.103 8.394 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.011 -2.366 9.194 1.00 0.00 O ATOM 0 H GLU A 75 -0.043 -1.675 5.896 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.348 0.036 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.665 -1.795 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.458 -2.961 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.999 -2.717 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.843 -1.204 9.415 1.00 0.00 H new ATOM 1166 N SER A 76 -0.015 -0.654 9.921 1.00 0.00 N ATOM 1167 CA SER A 76 0.917 -0.858 11.024 1.00 0.00 C ATOM 1168 C SER A 76 0.177 -1.275 12.291 1.00 0.00 C ATOM 1169 O SER A 76 -0.997 -0.953 12.472 1.00 0.00 O ATOM 1170 CB SER A 76 1.719 0.418 11.284 1.00 0.00 C ATOM 1171 OG SER A 76 2.816 0.522 10.393 1.00 0.00 O ATOM 0 H SER A 76 -0.810 -0.055 10.146 1.00 0.00 H new ATOM 0 HA SER A 76 1.602 -1.659 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.071 1.287 11.171 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.080 0.421 12.312 1.00 0.00 H new ATOM 0 HG SER A 76 3.372 1.288 10.647 1.00 0.00 H new ATOM 1177 N GLY A 77 0.873 -1.993 13.167 1.00 0.00 N ATOM 1178 CA GLY A 77 0.267 -2.443 14.406 1.00 0.00 C ATOM 1179 C GLY A 77 -0.173 -1.290 15.288 1.00 0.00 C ATOM 1180 O GLY A 77 -0.728 -0.305 14.801 1.00 0.00 O ATOM 0 H GLY A 77 1.846 -2.271 13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.594 -3.072 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.979 -3.063 14.951 1.00 0.00 H new ATOM 1184 N ARG A 78 0.072 -1.415 16.588 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.305 -0.377 17.539 1.00 0.00 C ATOM 1186 C ARG A 78 0.901 0.077 18.356 1.00 0.00 C ATOM 1187 O ARG A 78 1.081 1.269 18.606 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.405 -0.886 18.473 1.00 0.00 C ATOM 1189 CG ARG A 78 -2.411 -1.797 17.789 1.00 0.00 C ATOM 1190 CD ARG A 78 -3.735 -1.825 18.536 1.00 0.00 C ATOM 1191 NE ARG A 78 -3.750 -2.839 19.587 1.00 0.00 N ATOM 1192 CZ ARG A 78 -4.709 -2.936 20.501 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -5.726 -2.085 20.493 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -4.652 -3.886 21.425 1.00 0.00 N ATOM 0 H ARG A 78 0.530 -2.225 17.007 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.682 0.476 16.976 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.946 -1.424 19.302 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.932 -0.032 18.899 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.576 -1.456 16.767 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.006 -2.807 17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.924 -0.845 18.975 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.544 -2.021 17.832 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.982 -3.509 19.621 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.773 -1.354 19.784 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.461 -2.162 21.196 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.871 -4.543 21.434 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.389 -3.960 22.127 1.00 0.00 H new ATOM 1208 N ARG A 79 1.723 -0.881 18.770 1.00 0.00 N ATOM 1209 CA ARG A 79 2.911 -0.581 19.560 1.00 0.00 C ATOM 1210 C ARG A 79 3.831 0.381 18.814 1.00 0.00 C ATOM 1211 O ARG A 79 4.728 0.982 19.406 1.00 0.00 O ATOM 1212 CB ARG A 79 3.666 -1.868 19.895 1.00 0.00 C ATOM 1213 CG ARG A 79 4.075 -2.671 18.671 1.00 0.00 C ATOM 1214 CD ARG A 79 4.418 -4.107 19.035 1.00 0.00 C ATOM 1215 NE ARG A 79 3.227 -4.946 19.134 1.00 0.00 N ATOM 1216 CZ ARG A 79 2.568 -5.156 20.268 1.00 0.00 C ATOM 1217 NH1 ARG A 79 2.983 -4.591 21.394 1.00 0.00 N ATOM 1218 NH2 ARG A 79 1.492 -5.932 20.278 1.00 0.00 N ATOM 0 H ARG A 79 1.588 -1.872 18.571 1.00 0.00 H new ATOM 0 HA ARG A 79 2.589 -0.105 20.486 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.558 -1.617 20.469 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.040 -2.490 20.535 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.265 -2.663 17.942 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.935 -2.200 18.196 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.091 -4.520 18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.952 -4.122 19.985 1.00 0.00 H new ATOM 0 HE ARG A 79 2.882 -5.395 18.286 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.810 -3.994 21.390 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.475 -4.754 22.264 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.170 -6.368 19.414 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.987 -6.092 21.150 1.00 0.00 H new ATOM 1232 N CYS A 80 3.602 0.522 17.513 1.00 0.00 N ATOM 1233 CA CYS A 80 4.411 1.410 16.686 1.00 0.00 C ATOM 1234 C CYS A 80 4.360 2.840 17.213 1.00 0.00 C ATOM 1235 O CYS A 80 3.404 3.230 17.882 1.00 0.00 O ATOM 1236 CB CYS A 80 3.928 1.370 15.235 1.00 0.00 C ATOM 1237 SG CYS A 80 2.142 1.585 15.046 1.00 0.00 S ATOM 0 H CYS A 80 2.863 0.033 17.008 1.00 0.00 H new ATOM 0 HA CYS A 80 5.444 1.064 16.727 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.439 2.151 14.671 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.217 0.417 14.793 1.00 0.00 H new ATOM 0 HG CYS A 80 1.876 1.959 13.830 1.00 0.00 H new ATOM 1243 N GLN A 81 5.395 3.615 16.906 1.00 0.00 N ATOM 1244 CA GLN A 81 5.469 5.001 17.352 1.00 0.00 C ATOM 1245 C GLN A 81 4.140 5.716 17.130 1.00 0.00 C ATOM 1246 O GLN A 81 3.454 6.085 18.084 1.00 0.00 O ATOM 1247 CB GLN A 81 6.587 5.738 16.612 1.00 0.00 C ATOM 1248 CG GLN A 81 6.330 7.227 16.449 1.00 0.00 C ATOM 1249 CD GLN A 81 7.542 7.975 15.927 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.660 7.779 16.405 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.326 8.838 14.941 1.00 0.00 N ATOM 0 H GLN A 81 6.193 3.307 16.351 1.00 0.00 H new ATOM 0 HA GLN A 81 5.687 5.001 18.420 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.523 5.596 17.152 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.716 5.290 15.627 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.494 7.375 15.765 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.034 7.648 17.410 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.383 8.969 14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.103 9.370 14.549 1.00 0.00 H new ATOM 1260 N THR A 82 3.782 5.909 15.864 1.00 0.00 N ATOM 1261 CA THR A 82 2.536 6.581 15.517 1.00 0.00 C ATOM 1262 C THR A 82 1.335 5.854 16.112 1.00 0.00 C ATOM 1263 O THR A 82 0.422 6.480 16.650 1.00 0.00 O ATOM 1264 CB THR A 82 2.357 6.678 13.990 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.016 5.395 13.454 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.628 7.189 13.328 1.00 0.00 C ATOM 0 H THR A 82 4.337 5.609 15.063 1.00 0.00 H new ATOM 0 HA THR A 82 2.592 7.586 15.934 1.00 0.00 H new ATOM 0 HB THR A 82 1.551 7.382 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.470 5.512 12.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.478 7.249 12.250 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.868 8.179 13.717 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.450 6.506 13.542 1.00 0.00 H new ATOM 1274 N GLY A 83 1.342 4.528 16.014 1.00 0.00 N ATOM 1275 CA GLY A 83 0.248 3.739 16.548 1.00 0.00 C ATOM 1276 C GLY A 83 -0.707 3.268 15.470 1.00 0.00 C ATOM 1277 O GLY A 83 -0.498 3.535 14.287 1.00 0.00 O ATOM 0 H GLY A 83 2.086 3.986 15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.651 2.874 17.075 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.300 4.332 17.281 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.758 2.563 15.878 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.747 2.052 14.937 1.00 0.00 C ATOM 1283 C GLN A 84 -3.216 3.151 13.990 1.00 0.00 C ATOM 1284 O GLN A 84 -3.419 4.294 14.400 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.943 1.467 15.690 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.642 0.343 14.942 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.117 0.245 15.280 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.720 1.206 15.760 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.706 -0.918 15.031 1.00 0.00 N ATOM 0 H GLN A 84 -1.946 2.333 16.854 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.277 1.265 14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.606 1.094 16.657 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.662 2.262 15.888 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.529 0.500 13.869 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.155 -0.603 15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.168 -1.687 14.633 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.697 -1.042 15.238 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.386 2.798 12.719 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.830 3.767 11.733 1.00 0.00 C ATOM 1300 C GLY A 85 -3.165 3.567 10.385 1.00 0.00 C ATOM 1301 O GLY A 85 -1.953 3.367 10.307 1.00 0.00 O ATOM 0 H GLY A 85 -3.224 1.859 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.911 3.693 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.617 4.773 12.095 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.960 3.620 9.322 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.442 3.443 7.971 1.00 0.00 C ATOM 1307 C ILE A 86 -3.114 4.786 7.328 1.00 0.00 C ATOM 1308 O ILE A 86 -3.896 5.733 7.409 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.444 2.690 7.078 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.495 1.211 7.466 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.068 2.845 5.612 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.748 0.505 6.994 1.00 0.00 C ATOM 0 H ILE A 86 -4.966 3.784 9.370 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.530 2.852 8.058 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.434 3.120 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.624 0.704 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.426 1.126 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.786 2.307 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.078 3.901 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.070 2.438 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.716 -0.539 7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.623 0.987 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.808 0.559 5.907 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.952 4.861 6.687 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.520 6.088 6.028 1.00 0.00 C ATOM 1326 C PHE A 87 -1.225 5.838 4.552 1.00 0.00 C ATOM 1327 O PHE A 87 -0.391 5.002 4.208 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.278 6.653 6.719 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.289 6.476 8.211 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -0.900 7.412 9.029 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.313 5.373 8.795 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -0.913 7.251 10.402 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.304 5.207 10.167 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.309 6.148 10.971 1.00 0.00 C ATOM 0 H PHE A 87 -1.293 4.086 6.610 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.330 6.814 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.608 6.167 6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.195 7.715 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.372 8.278 8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.795 4.635 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.395 7.987 11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.776 4.342 10.610 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.316 6.021 12.043 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.918 6.569 3.684 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.730 6.428 2.246 1.00 0.00 C ATOM 1346 C ALA A 88 -0.878 7.564 1.690 1.00 0.00 C ATOM 1347 O ALA A 88 -0.818 8.650 2.268 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.076 6.382 1.539 1.00 0.00 C ATOM 0 H ALA A 88 -2.614 7.264 3.952 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.204 5.491 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.920 6.277 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.651 5.533 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.623 7.304 1.737 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.218 7.307 0.565 1.00 0.00 N ATOM 1355 CA PHE A 89 0.632 8.308 -0.069 1.00 0.00 C ATOM 1356 C PHE A 89 0.586 8.178 -1.588 1.00 0.00 C ATOM 1357 O PHE A 89 0.314 7.103 -2.123 1.00 0.00 O ATOM 1358 CB PHE A 89 2.075 8.167 0.423 1.00 0.00 C ATOM 1359 CG PHE A 89 2.186 7.993 1.911 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.024 6.745 2.490 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.455 9.078 2.730 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.125 6.583 3.859 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.558 8.922 4.099 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.394 7.673 4.664 1.00 0.00 C ATOM 0 H PHE A 89 -0.256 6.414 0.074 1.00 0.00 H new ATOM 0 HA PHE A 89 0.256 9.294 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.537 7.312 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.640 9.050 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.816 5.889 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.586 10.057 2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.994 5.605 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.767 9.776 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.476 7.548 5.734 1.00 0.00 H new ATOM 1374 N LYS A 90 0.854 9.281 -2.279 1.00 0.00 N ATOM 1375 CA LYS A 90 0.845 9.293 -3.737 1.00 0.00 C ATOM 1376 C LYS A 90 2.266 9.261 -4.290 1.00 0.00 C ATOM 1377 O LYS A 90 3.131 10.018 -3.849 1.00 0.00 O ATOM 1378 CB LYS A 90 0.113 10.534 -4.252 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.384 10.333 -4.417 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.047 11.557 -5.027 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.500 11.283 -5.384 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.623 10.488 -6.637 1.00 0.00 N ATOM 0 H LYS A 90 1.080 10.179 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 90 0.321 8.401 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.286 11.360 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.540 10.825 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.568 9.465 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.833 10.121 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.994 12.389 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.502 11.860 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.980 10.747 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.030 12.228 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.628 10.366 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.143 10.987 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.184 9.555 -6.501 1.00 0.00 H new ATOM 1396 N CYS A 91 2.498 8.383 -5.259 1.00 0.00 N ATOM 1397 CA CYS A 91 3.815 8.254 -5.874 1.00 0.00 C ATOM 1398 C CYS A 91 3.718 7.549 -7.223 1.00 0.00 C ATOM 1399 O CYS A 91 2.723 6.888 -7.520 1.00 0.00 O ATOM 1400 CB CYS A 91 4.759 7.483 -4.949 1.00 0.00 C ATOM 1401 SG CYS A 91 6.475 7.437 -5.518 1.00 0.00 S ATOM 0 H CYS A 91 1.792 7.750 -5.636 1.00 0.00 H new ATOM 0 HA CYS A 91 4.213 9.256 -6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.728 7.935 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.394 6.461 -4.845 1.00 0.00 H new ATOM 0 HG CYS A 91 7.123 8.450 -5.024 1.00 0.00 H new ATOM 1407 N SER A 92 4.758 7.697 -8.038 1.00 0.00 N ATOM 1408 CA SER A 92 4.788 7.080 -9.359 1.00 0.00 C ATOM 1409 C SER A 92 5.450 5.707 -9.302 1.00 0.00 C ATOM 1410 O SER A 92 4.999 4.761 -9.949 1.00 0.00 O ATOM 1411 CB SER A 92 5.535 7.978 -10.347 1.00 0.00 C ATOM 1412 OG SER A 92 5.767 7.305 -11.573 1.00 0.00 O ATOM 0 H SER A 92 5.591 8.239 -7.807 1.00 0.00 H new ATOM 0 HA SER A 92 3.760 6.955 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.956 8.884 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.486 8.289 -9.914 1.00 0.00 H new ATOM 0 HG SER A 92 6.244 7.900 -12.188 1.00 0.00 H new ATOM 1418 N ARG A 93 6.522 5.605 -8.523 1.00 0.00 N ATOM 1419 CA ARG A 93 7.247 4.348 -8.381 1.00 0.00 C ATOM 1420 C ARG A 93 6.725 3.550 -7.190 1.00 0.00 C ATOM 1421 O ARG A 93 7.487 2.873 -6.502 1.00 0.00 O ATOM 1422 CB ARG A 93 8.744 4.615 -8.213 1.00 0.00 C ATOM 1423 CG ARG A 93 9.500 4.692 -9.529 1.00 0.00 C ATOM 1424 CD ARG A 93 10.699 5.622 -9.430 1.00 0.00 C ATOM 1425 NE ARG A 93 11.118 6.118 -10.738 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.369 6.908 -11.499 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.170 7.291 -11.083 1.00 0.00 N ATOM 1428 NH2 ARG A 93 10.820 7.318 -12.678 1.00 0.00 N ATOM 0 H ARG A 93 6.908 6.378 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 93 7.088 3.762 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.879 5.551 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.179 3.826 -7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.834 3.695 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.830 5.042 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.451 6.465 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.529 5.094 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 93 12.036 5.843 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.821 6.979 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.597 7.898 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.743 7.026 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.244 7.925 -13.262 1.00 0.00 H new ATOM 1442 N ALA A 94 5.420 3.637 -6.953 1.00 0.00 N ATOM 1443 CA ALA A 94 4.796 2.922 -5.846 1.00 0.00 C ATOM 1444 C ALA A 94 5.024 1.419 -5.965 1.00 0.00 C ATOM 1445 O ALA A 94 5.146 0.720 -4.959 1.00 0.00 O ATOM 1446 CB ALA A 94 3.306 3.229 -5.793 1.00 0.00 C ATOM 0 H ALA A 94 4.775 4.195 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 94 5.259 3.261 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.853 2.689 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.160 4.300 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.837 2.918 -6.727 1.00 0.00 H new ATOM 1452 N GLU A 95 5.082 0.929 -7.199 1.00 0.00 N ATOM 1453 CA GLU A 95 5.294 -0.492 -7.447 1.00 0.00 C ATOM 1454 C GLU A 95 6.684 -0.922 -6.988 1.00 0.00 C ATOM 1455 O GLU A 95 6.822 -1.793 -6.129 1.00 0.00 O ATOM 1456 CB GLU A 95 5.118 -0.804 -8.935 1.00 0.00 C ATOM 1457 CG GLU A 95 5.003 -2.289 -9.235 1.00 0.00 C ATOM 1458 CD GLU A 95 5.098 -2.594 -10.718 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.628 -1.764 -11.524 1.00 0.00 O ATOM 1460 OE2 GLU A 95 5.642 -3.661 -11.071 1.00 0.00 O ATOM 0 H GLU A 95 4.985 1.495 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 95 4.552 -1.050 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.225 -0.298 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.965 -0.395 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.792 -2.825 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.053 -2.661 -8.852 1.00 0.00 H new ATOM 1467 N GLU A 96 7.710 -0.306 -7.567 1.00 0.00 N ATOM 1468 CA GLU A 96 9.089 -0.627 -7.217 1.00 0.00 C ATOM 1469 C GLU A 96 9.275 -0.651 -5.703 1.00 0.00 C ATOM 1470 O GLU A 96 10.201 -1.280 -5.191 1.00 0.00 O ATOM 1471 CB GLU A 96 10.047 0.389 -7.844 1.00 0.00 C ATOM 1472 CG GLU A 96 9.986 0.427 -9.361 1.00 0.00 C ATOM 1473 CD GLU A 96 11.276 0.924 -9.984 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.358 0.595 -9.453 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.204 1.641 -11.004 1.00 0.00 O ATOM 0 H GLU A 96 7.613 0.417 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 96 9.315 -1.619 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.817 1.381 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.066 0.154 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.766 -0.572 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.164 1.072 -9.672 1.00 0.00 H new ATOM 1482 N ILE A 97 8.389 0.039 -4.993 1.00 0.00 N ATOM 1483 CA ILE A 97 8.455 0.097 -3.538 1.00 0.00 C ATOM 1484 C ILE A 97 7.886 -1.172 -2.911 1.00 0.00 C ATOM 1485 O ILE A 97 8.357 -1.627 -1.868 1.00 0.00 O ATOM 1486 CB ILE A 97 7.689 1.314 -2.987 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.358 2.613 -3.444 1.00 0.00 C ATOM 1488 CG2 ILE A 97 7.619 1.254 -1.469 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.480 3.834 -3.280 1.00 0.00 C ATOM 0 H ILE A 97 7.617 0.566 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 97 9.508 0.191 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 97 6.672 1.293 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.278 2.758 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.641 2.517 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.075 2.121 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.104 0.343 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.629 1.255 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.018 4.718 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.571 3.710 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.217 3.955 -2.229 1.00 0.00 H new ATOM 1501 N PHE A 98 6.873 -1.741 -3.555 1.00 0.00 N ATOM 1502 CA PHE A 98 6.240 -2.959 -3.062 1.00 0.00 C ATOM 1503 C PHE A 98 7.128 -4.174 -3.315 1.00 0.00 C ATOM 1504 O PHE A 98 7.289 -5.029 -2.446 1.00 0.00 O ATOM 1505 CB PHE A 98 4.879 -3.159 -3.731 1.00 0.00 C ATOM 1506 CG PHE A 98 4.867 -4.268 -4.745 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.862 -5.593 -4.341 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.859 -3.984 -6.101 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.852 -6.615 -5.271 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.848 -5.002 -7.036 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.843 -6.319 -6.620 1.00 0.00 C ATOM 0 H PHE A 98 6.472 -1.378 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 98 6.096 -2.854 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.134 -3.370 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.582 -2.230 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.866 -5.830 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.861 -2.956 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.851 -7.644 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.843 -4.768 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.832 -7.116 -7.349 1.00 0.00 H new ATOM 1521 N ASN A 99 7.700 -4.242 -4.513 1.00 0.00 N ATOM 1522 CA ASN A 99 8.570 -5.352 -4.882 1.00 0.00 C ATOM 1523 C ASN A 99 9.851 -5.338 -4.054 1.00 0.00 C ATOM 1524 O ASN A 99 10.366 -6.388 -3.667 1.00 0.00 O ATOM 1525 CB ASN A 99 8.913 -5.285 -6.372 1.00 0.00 C ATOM 1526 CG ASN A 99 7.777 -5.777 -7.248 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.285 -6.893 -7.078 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.356 -4.945 -8.194 1.00 0.00 N ATOM 0 H ASN A 99 7.576 -3.542 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 99 8.037 -6.281 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.157 -4.257 -6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.803 -5.884 -6.565 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.596 -5.222 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.793 -4.029 -8.299 1.00 0.00 H new ATOM 1535 N LEU A 100 10.361 -4.141 -3.783 1.00 0.00 N ATOM 1536 CA LEU A 100 11.582 -3.989 -3.000 1.00 0.00 C ATOM 1537 C LEU A 100 11.320 -4.266 -1.523 1.00 0.00 C ATOM 1538 O LEU A 100 12.173 -4.810 -0.821 1.00 0.00 O ATOM 1539 CB LEU A 100 12.150 -2.579 -3.172 1.00 0.00 C ATOM 1540 CG LEU A 100 13.524 -2.328 -2.550 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.495 -3.433 -2.935 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.063 -0.970 -2.976 1.00 0.00 C ATOM 0 H LEU A 100 9.948 -3.262 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 100 12.310 -4.715 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.211 -2.361 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.443 -1.869 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 100 13.415 -2.330 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.467 -3.237 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.116 -4.391 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.599 -3.464 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.042 -0.809 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.156 -0.940 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.378 -0.188 -2.648 1.00 0.00 H new ATOM 1554 N LEU A 101 10.133 -3.892 -1.058 1.00 0.00 N ATOM 1555 CA LEU A 101 9.756 -4.102 0.335 1.00 0.00 C ATOM 1556 C LEU A 101 9.921 -5.567 0.729 1.00 0.00 C ATOM 1557 O LEU A 101 10.532 -5.879 1.751 1.00 0.00 O ATOM 1558 CB LEU A 101 8.310 -3.661 0.565 1.00 0.00 C ATOM 1559 CG LEU A 101 8.114 -2.212 1.013 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.642 -1.832 0.963 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.672 -2.005 2.413 1.00 0.00 C ATOM 0 H LEU A 101 9.415 -3.442 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 101 10.417 -3.500 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.753 -3.813 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.866 -4.316 1.315 1.00 0.00 H new ATOM 0 HG LEU A 101 8.660 -1.564 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.522 -0.798 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.273 -1.939 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.075 -2.486 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.523 -0.968 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.156 -2.663 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.737 -2.235 2.418 1.00 0.00 H new ATOM 1573 N GLN A 102 9.375 -6.459 -0.090 1.00 0.00 N ATOM 1574 CA GLN A 102 9.464 -7.891 0.172 1.00 0.00 C ATOM 1575 C GLN A 102 10.903 -8.380 0.045 1.00 0.00 C ATOM 1576 O GLN A 102 11.253 -9.448 0.547 1.00 0.00 O ATOM 1577 CB GLN A 102 8.564 -8.664 -0.793 1.00 0.00 C ATOM 1578 CG GLN A 102 8.839 -8.363 -2.257 1.00 0.00 C ATOM 1579 CD GLN A 102 8.126 -9.318 -3.194 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.504 -10.483 -3.317 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.087 -8.828 -3.861 1.00 0.00 N ATOM 0 H GLN A 102 8.866 -6.216 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 102 9.128 -8.069 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.694 -9.732 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.523 -8.429 -0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.527 -7.342 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.912 -8.415 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.808 -7.856 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.568 -9.424 -4.506 1.00 0.00 H new ATOM 1590 N ASP A 103 11.733 -7.591 -0.629 1.00 0.00 N ATOM 1591 CA ASP A 103 13.135 -7.943 -0.822 1.00 0.00 C ATOM 1592 C ASP A 103 13.959 -7.585 0.411 1.00 0.00 C ATOM 1593 O ASP A 103 14.966 -8.230 0.706 1.00 0.00 O ATOM 1594 CB ASP A 103 13.698 -7.230 -2.052 1.00 0.00 C ATOM 1595 CG ASP A 103 13.548 -8.052 -3.317 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.068 -9.187 -3.353 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.911 -7.560 -4.272 1.00 0.00 O ATOM 0 H ASP A 103 11.459 -6.704 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 103 13.196 -9.020 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.188 -6.275 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.753 -7.009 -1.889 1.00 0.00 H new ATOM 1602 N LEU A 104 13.527 -6.553 1.126 1.00 0.00 N ATOM 1603 CA LEU A 104 14.225 -6.107 2.326 1.00 0.00 C ATOM 1604 C LEU A 104 13.687 -6.817 3.564 1.00 0.00 C ATOM 1605 O LEU A 104 14.447 -7.193 4.456 1.00 0.00 O ATOM 1606 CB LEU A 104 14.083 -4.593 2.491 1.00 0.00 C ATOM 1607 CG LEU A 104 14.719 -3.736 1.396 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.498 -2.258 1.678 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.205 -4.042 1.275 1.00 0.00 C ATOM 0 H LEU A 104 12.696 -6.009 0.895 1.00 0.00 H new ATOM 0 HA LEU A 104 15.280 -6.356 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.021 -4.351 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.522 -4.309 3.448 1.00 0.00 H new ATOM 0 HG LEU A 104 14.240 -3.979 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.958 -1.664 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.429 -2.050 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.949 -1.999 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.641 -3.423 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.699 -3.828 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.341 -5.094 1.024 1.00 0.00 H new ATOM 1621 N MET A 105 12.372 -7.000 3.610 1.00 0.00 N ATOM 1622 CA MET A 105 11.732 -7.669 4.738 1.00 0.00 C ATOM 1623 C MET A 105 12.332 -9.054 4.959 1.00 0.00 C ATOM 1624 O MET A 105 12.538 -9.475 6.097 1.00 0.00 O ATOM 1625 CB MET A 105 10.225 -7.785 4.501 1.00 0.00 C ATOM 1626 CG MET A 105 9.514 -6.443 4.447 1.00 0.00 C ATOM 1627 SD MET A 105 7.913 -6.538 3.622 1.00 0.00 S ATOM 1628 CE MET A 105 6.803 -6.410 5.021 1.00 0.00 C ATOM 0 H MET A 105 11.728 -6.695 2.880 1.00 0.00 H new ATOM 0 HA MET A 105 11.907 -7.070 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.052 -8.316 3.565 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.786 -8.388 5.296 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.374 -6.069 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.145 -5.723 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.146 -7.279 5.045 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.383 -6.368 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.203 -5.504 4.928 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.398 11.427 8.272 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.830 11.243 8.068 1.00 0.00 C ATOM 2277 C PHE B 2 -4.219 9.777 8.235 1.00 0.00 C ATOM 2278 O PHE B 2 -3.742 8.910 7.504 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.236 11.735 6.678 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.694 11.540 6.375 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.193 10.280 6.089 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.566 12.617 6.377 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.535 10.098 5.809 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.908 12.441 6.098 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.393 11.180 5.815 1.00 0.00 C ATOM 0 HA PHE B 2 -4.357 11.829 8.821 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.994 12.794 6.591 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.644 11.210 5.928 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.527 9.430 6.085 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.192 13.606 6.599 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -7.912 9.111 5.586 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.577 13.289 6.101 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.442 11.040 5.599 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.089 9.509 9.203 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.542 8.149 9.468 1.00 0.00 C ATOM 2297 C ARG B 3 -6.665 7.754 8.513 1.00 0.00 C ATOM 2298 O ARG B 3 -7.641 8.486 8.349 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.020 8.020 10.916 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.216 8.900 11.242 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.554 8.853 12.724 1.00 0.00 C ATOM 2302 NE ARG B 3 -8.939 9.240 12.982 1.00 0.00 N ATOM 2303 CZ ARG B 3 -9.987 8.517 12.602 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -9.808 7.376 11.951 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -11.216 8.936 12.874 1.00 0.00 N ATOM 0 H ARG B 3 -5.494 10.216 9.817 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.700 7.475 9.310 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.280 6.980 11.113 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.198 8.275 11.585 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.004 9.928 10.948 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.078 8.574 10.660 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -7.382 7.846 13.103 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -6.884 9.517 13.270 1.00 0.00 H new ATOM 0 HE ARG B 3 -9.111 10.113 13.481 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -8.864 7.051 11.741 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -10.614 6.823 11.660 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -11.357 9.813 13.375 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -12.020 8.381 12.582 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.519 6.592 7.886 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.520 6.099 6.946 1.00 0.00 C ATOM 2321 C LEU B 4 -8.512 5.174 7.644 1.00 0.00 C ATOM 2322 O LEU B 4 -8.415 4.938 8.848 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.843 5.361 5.790 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.438 6.219 4.591 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.614 5.405 3.606 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.669 6.798 3.909 1.00 0.00 C ATOM 0 H LEU B 4 -5.718 5.974 8.011 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.066 6.956 6.551 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.951 4.865 6.174 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.517 4.579 5.440 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.824 7.045 4.951 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.335 6.032 2.759 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.713 5.040 4.100 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.202 4.558 3.252 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.361 7.406 3.058 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.309 5.986 3.563 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.220 7.417 4.617 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.465 4.652 6.878 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.474 3.751 7.422 1.00 0.00 C ATOM 2340 C ARG B 5 -10.395 2.380 6.758 1.00 0.00 C ATOM 2341 O ARG B 5 -10.765 1.368 7.353 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.872 4.343 7.231 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.304 5.264 8.360 1.00 0.00 C ATOM 2344 CD ARG B 5 -12.889 4.481 9.525 1.00 0.00 C ATOM 2345 NE ARG B 5 -11.856 4.021 10.449 1.00 0.00 N ATOM 2346 CZ ARG B 5 -12.065 3.105 11.388 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -13.263 2.554 11.527 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -11.074 2.739 12.191 1.00 0.00 N ATOM 0 H ARG B 5 -9.559 4.838 5.879 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.280 3.630 8.488 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.898 4.896 6.292 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.592 3.530 7.141 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -11.449 5.846 8.704 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -13.044 5.974 7.989 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.602 5.107 10.061 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -13.442 3.623 9.144 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.923 4.425 10.369 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -14.027 2.833 10.912 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -13.420 1.851 12.249 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -10.151 3.161 12.087 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -11.235 2.036 12.912 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.910 2.355 5.520 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.782 1.108 4.775 1.00 0.00 C ATOM 2364 C HIS B 6 -8.518 1.113 3.920 1.00 0.00 C ATOM 2365 O HIS B 6 -7.919 2.163 3.687 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.010 0.891 3.889 1.00 0.00 C ATOM 2367 CG HIS B 6 -10.893 1.525 2.537 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.448 0.846 1.423 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.168 2.784 2.124 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -10.453 1.660 0.383 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -10.886 2.843 0.781 1.00 0.00 N ATOM 0 H HIS B 6 -9.600 3.184 5.012 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.711 0.290 5.492 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.175 -0.179 3.766 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.888 1.293 4.395 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -11.540 3.592 2.736 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -10.154 1.402 -0.622 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -10.993 3.666 0.188 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.118 -0.066 3.457 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.924 -0.198 2.630 1.00 0.00 C ATOM 2382 C PHE B 7 -7.269 -0.052 1.150 1.00 0.00 C ATOM 2383 O PHE B 7 -8.022 -0.843 0.582 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.253 -1.550 2.878 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.783 -1.554 2.569 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.945 -0.591 3.108 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.239 -2.522 1.739 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.592 -0.593 2.826 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.886 -2.529 1.454 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.062 -1.563 1.997 1.00 0.00 C ATOM 0 H PHE B 7 -8.603 -0.944 3.640 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.232 0.598 2.904 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.398 -1.833 3.921 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.746 -2.309 2.270 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.354 0.170 3.756 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.879 -3.279 1.310 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.950 0.163 3.253 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.474 -3.289 0.807 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.005 -1.566 1.774 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.705 0.984 0.511 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.937 1.258 -0.910 1.00 0.00 C ATOM 2402 C PRO B 8 -6.286 0.219 -1.815 1.00 0.00 C ATOM 2403 O PRO B 8 -6.934 -0.340 -2.701 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.289 2.629 -1.117 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.250 2.721 -0.053 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.797 1.966 1.127 1.00 0.00 C ATOM 0 HA PRO B 8 -7.997 1.230 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.847 2.712 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.021 3.431 -1.026 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.308 2.289 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.049 3.760 0.208 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.004 1.479 1.695 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.325 2.625 1.816 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.002 -0.036 -1.587 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.262 -1.009 -2.384 1.00 0.00 C ATOM 2416 C CYS B 9 -5.012 -2.335 -2.454 1.00 0.00 C ATOM 2417 O CYS B 9 -5.576 -2.795 -1.462 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.868 -1.227 -1.794 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.727 0.148 -2.069 1.00 0.00 S ATOM 0 H CYS B 9 -4.452 0.417 -0.857 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.162 -0.615 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.962 -1.398 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.440 -2.132 -2.225 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.653 -0.031 -1.359 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.014 -2.946 -3.635 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.698 -4.213 -3.814 1.00 0.00 C ATOM 2427 C GLY B 10 -4.743 -5.390 -3.839 1.00 0.00 C ATOM 2428 O GLY B 10 -4.918 -6.355 -3.097 1.00 0.00 O ATOM 0 H GLY B 10 -4.554 -2.586 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.418 -4.351 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.264 -4.188 -4.745 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.731 -5.310 -4.697 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.746 -6.379 -4.817 1.00 0.00 C ATOM 2434 C ASN B 11 -1.697 -6.279 -3.713 1.00 0.00 C ATOM 2435 O ASN B 11 -0.753 -5.495 -3.808 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.067 -6.323 -6.187 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.029 -6.617 -7.322 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -3.979 -5.869 -7.554 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -2.786 -7.710 -8.035 1.00 0.00 N ATOM 0 H ASN B 11 -3.572 -4.517 -5.319 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.266 -7.332 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.629 -5.335 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.248 -7.042 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.399 -7.959 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -1.986 -8.301 -7.806 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.871 -7.079 -2.666 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.939 -7.082 -1.544 1.00 0.00 C ATOM 2448 C VAL B 12 -0.323 -8.463 -1.346 1.00 0.00 C ATOM 2449 O VAL B 12 -1.012 -9.479 -1.430 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.632 -6.648 -0.239 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.830 -7.539 0.052 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.646 -6.673 0.920 1.00 0.00 C ATOM 0 H VAL B 12 -2.648 -7.733 -2.571 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.151 -6.367 -1.783 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.991 -5.626 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.307 -7.217 0.978 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.545 -7.467 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.498 -8.572 0.155 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.152 -6.364 1.835 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.257 -7.683 1.045 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.177 -5.990 0.712 1.00 0.00 H new ATOM 2462 N ASN B 13 0.979 -8.491 -1.080 1.00 0.00 N ATOM 2463 CA ASN B 13 1.689 -9.747 -0.869 1.00 0.00 C ATOM 2464 C ASN B 13 2.235 -9.831 0.553 1.00 0.00 C ATOM 2465 O ASN B 13 3.400 -9.519 0.801 1.00 0.00 O ATOM 2466 CB ASN B 13 2.832 -9.886 -1.876 1.00 0.00 C ATOM 2467 CG ASN B 13 3.681 -8.633 -1.963 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.258 -7.553 -1.551 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.887 -8.771 -2.502 1.00 0.00 N ATOM 0 H ASN B 13 1.563 -7.658 -1.006 1.00 0.00 H new ATOM 0 HA ASN B 13 0.983 -10.564 -1.016 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.462 -10.729 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.420 -10.112 -2.860 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.503 -7.963 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.197 -9.685 -2.831 1.00 0.00 H new ATOM 2476 N TYR B 14 1.387 -10.255 1.483 1.00 0.00 N ATOM 2477 CA TYR B 14 1.783 -10.378 2.880 1.00 0.00 C ATOM 2478 C TYR B 14 3.244 -10.802 2.997 1.00 0.00 C ATOM 2479 O TYR B 14 3.767 -11.511 2.138 1.00 0.00 O ATOM 2480 CB TYR B 14 0.889 -11.390 3.599 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.584 -11.053 3.529 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.071 -9.864 4.057 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.488 -11.924 2.932 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.415 -9.553 3.996 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.834 -11.621 2.865 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.293 -10.434 3.399 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.633 -10.127 3.335 1.00 0.00 O ATOM 0 H TYR B 14 0.420 -10.519 1.294 1.00 0.00 H new ATOM 0 HA TYR B 14 1.667 -9.402 3.350 1.00 0.00 H new ATOM 0 HB2 TYR B 14 1.049 -12.377 3.164 1.00 0.00 H new ATOM 0 HB3 TYR B 14 1.190 -11.450 4.645 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.387 -9.171 4.523 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.132 -12.854 2.513 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.777 -8.625 4.413 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.523 -12.309 2.398 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.113 -10.852 2.883 1.00 0.00 H new ATOM 2497 N GLY B 15 3.898 -10.361 4.067 1.00 0.00 N ATOM 2498 CA GLY B 15 5.292 -10.704 4.278 1.00 0.00 C ATOM 2499 C GLY B 15 5.504 -11.525 5.535 1.00 0.00 C ATOM 2500 O GLY B 15 5.687 -12.741 5.468 1.00 0.00 O ATOM 0 H GLY B 15 3.487 -9.772 4.792 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.660 -11.262 3.417 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.882 -9.790 4.341 1.00 0.00 H new