USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=24 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 59:sc= 1.18 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.603 X(o=-1.1,f=-1.2) USER MOD Set 1.3: B 13 ASN : amide:sc= -2.85 K(o=-1.1,f=-6.9!) USER MOD Set 2.1: A 80 CYS SG : rot 132:sc= 0.555 USER MOD Set 2.2: A 82 THR OG1 : rot 110:sc= 0.561 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -4.65! C(o=-4.3!,f=-11!) USER MOD Set 3.2: A 19 THR OG1 : rot -11:sc= 0.484 USER MOD Set 3.3: A 20 LYS NZ :NH3+ -153:sc= -0.116 (180deg=-0.165) USER MOD Single : A 16 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.8!) 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 :FLIP amide:sc= -0.755 F(o=-2.6!,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 38 MET CE :methyl 175:sc= -0.215 (180deg=-0.251) USER MOD Single : A 41 THR OG1 : rot -7:sc= 0.608 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.644 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 70 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 73 SER OG : rot -119:sc= -0.23 USER MOD Single : A 76 SER OG : rot 107:sc= 0.153 USER MOD Single : A 81 GLN : amide:sc= -7.26! C(o=-7.3!,f=-16!) USER MOD Single : A 84 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 0.219 (180deg=-0.0122) USER MOD Single : A 91 CYS SG : rot 180:sc= -1.82! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.4!) USER MOD Single : A 105 MET CE :methyl -123:sc= -0.556 (180deg=-4.11!) USER MOD Single : B 6 HIS : no HE2:sc= -0.165 K(o=-0.16,f=-1.8) USER MOD Single : B 9 CYS SG : rot 83:sc= 1.21 USER MOD Single : B 11 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.804 12.115 -6.655 1.00 0.00 N ATOM 163 CA PRO A 14 15.848 12.033 -7.763 1.00 0.00 C ATOM 164 C PRO A 14 14.511 11.440 -7.332 1.00 0.00 C ATOM 165 O PRO A 14 14.419 10.776 -6.300 1.00 0.00 O ATOM 166 CB PRO A 14 16.544 11.110 -8.766 1.00 0.00 C ATOM 167 CG PRO A 14 17.465 10.279 -7.939 1.00 0.00 C ATOM 168 CD PRO A 14 17.916 11.162 -6.808 1.00 0.00 C ATOM 0 HA PRO A 14 15.606 13.017 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.824 10.491 -9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.091 11.681 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.957 9.391 -7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.315 9.935 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.084 10.591 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.851 11.670 -7.043 1.00 0.00 H new ATOM 176 N ASP A 15 13.476 11.685 -8.129 1.00 0.00 N ATOM 177 CA ASP A 15 12.144 11.173 -7.831 1.00 0.00 C ATOM 178 C ASP A 15 12.058 9.678 -8.122 1.00 0.00 C ATOM 179 O ASP A 15 11.010 9.059 -7.938 1.00 0.00 O ATOM 180 CB ASP A 15 11.091 11.925 -8.646 1.00 0.00 C ATOM 181 CG ASP A 15 11.361 11.865 -10.137 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.738 10.780 -10.628 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.195 12.902 -10.812 1.00 0.00 O ATOM 0 H ASP A 15 13.534 12.235 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 15 11.951 11.330 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.107 11.503 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.064 12.967 -8.326 1.00 0.00 H new ATOM 188 N ASN A 16 13.167 9.104 -8.577 1.00 0.00 N ATOM 189 CA ASN A 16 13.216 7.682 -8.895 1.00 0.00 C ATOM 190 C ASN A 16 14.428 7.021 -8.246 1.00 0.00 C ATOM 191 O ASN A 16 14.997 6.073 -8.788 1.00 0.00 O ATOM 192 CB ASN A 16 13.261 7.478 -10.411 1.00 0.00 C ATOM 193 CG ASN A 16 14.478 8.125 -11.045 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.505 8.314 -10.393 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.366 8.468 -12.323 1.00 0.00 N ATOM 0 H ASN A 16 14.043 9.602 -8.734 1.00 0.00 H new ATOM 0 HA ASN A 16 12.314 7.216 -8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.264 6.411 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.358 7.893 -10.858 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.151 8.907 -12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.495 8.292 -12.824 1.00 0.00 H new ATOM 202 N HIS A 17 14.818 7.528 -7.080 1.00 0.00 N ATOM 203 CA HIS A 17 15.962 6.986 -6.356 1.00 0.00 C ATOM 204 C HIS A 17 15.694 5.551 -5.912 1.00 0.00 C ATOM 205 O HIS A 17 14.599 5.208 -5.466 1.00 0.00 O ATOM 206 CB HIS A 17 16.281 7.857 -5.140 1.00 0.00 C ATOM 207 CG HIS A 17 17.742 7.916 -4.813 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.262 7.484 -3.611 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.795 8.359 -5.539 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.571 7.659 -3.612 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.920 8.189 -4.771 1.00 0.00 N ATOM 0 H HIS A 17 14.359 8.312 -6.617 1.00 0.00 H new ATOM 0 HA HIS A 17 16.820 6.985 -7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.916 8.868 -5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.739 7.473 -4.276 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.757 8.770 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.242 7.411 -2.803 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.871 8.432 -5.050 1.00 0.00 H new ATOM 220 N PRO A 18 16.716 4.692 -6.036 1.00 0.00 N ATOM 221 CA PRO A 18 16.615 3.281 -5.653 1.00 0.00 C ATOM 222 C PRO A 18 16.515 3.096 -4.143 1.00 0.00 C ATOM 223 O PRO A 18 15.966 2.103 -3.663 1.00 0.00 O ATOM 224 CB PRO A 18 17.918 2.676 -6.180 1.00 0.00 C ATOM 225 CG PRO A 18 18.874 3.818 -6.230 1.00 0.00 C ATOM 226 CD PRO A 18 18.050 5.032 -6.559 1.00 0.00 C ATOM 0 HA PRO A 18 15.717 2.813 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.281 1.885 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.778 2.233 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.386 3.941 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.642 3.651 -6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.450 5.929 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.024 5.221 -7.632 1.00 0.00 H new ATOM 234 N THR A 19 17.049 4.057 -3.396 1.00 0.00 N ATOM 235 CA THR A 19 17.020 4.000 -1.940 1.00 0.00 C ATOM 236 C THR A 19 15.971 4.950 -1.373 1.00 0.00 C ATOM 237 O THR A 19 15.408 4.704 -0.306 1.00 0.00 O ATOM 238 CB THR A 19 18.393 4.351 -1.337 1.00 0.00 C ATOM 239 OG1 THR A 19 18.766 5.682 -1.709 1.00 0.00 O ATOM 240 CG2 THR A 19 19.457 3.370 -1.807 1.00 0.00 C ATOM 0 H THR A 19 17.507 4.885 -3.776 1.00 0.00 H new ATOM 0 HA THR A 19 16.763 2.976 -1.669 1.00 0.00 H new ATOM 0 HB THR A 19 18.316 4.286 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.153 6.013 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.418 3.638 -1.368 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.185 2.361 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.531 3.407 -2.894 1.00 0.00 H new ATOM 248 N LYS A 20 15.712 6.036 -2.094 1.00 0.00 N ATOM 249 CA LYS A 20 14.728 7.023 -1.664 1.00 0.00 C ATOM 250 C LYS A 20 13.550 7.074 -2.631 1.00 0.00 C ATOM 251 O LYS A 20 13.695 6.778 -3.818 1.00 0.00 O ATOM 252 CB LYS A 20 15.376 8.406 -1.558 1.00 0.00 C ATOM 253 CG LYS A 20 15.808 8.769 -0.148 1.00 0.00 C ATOM 254 CD LYS A 20 17.164 8.172 0.190 1.00 0.00 C ATOM 255 CE LYS A 20 18.279 9.194 0.031 1.00 0.00 C ATOM 256 NZ LYS A 20 18.363 9.710 -1.363 1.00 0.00 N ATOM 0 H LYS A 20 16.170 6.255 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 20 14.357 6.726 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.244 8.442 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.672 9.156 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.851 9.853 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.064 8.412 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.154 7.800 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.358 7.317 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.111 10.025 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.230 8.740 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.337 10.015 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.093 8.958 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.718 10.518 -1.473 1.00 0.00 H new ATOM 270 N PHE A 21 12.385 7.452 -2.117 1.00 0.00 N ATOM 271 CA PHE A 21 11.181 7.543 -2.936 1.00 0.00 C ATOM 272 C PHE A 21 10.292 8.692 -2.471 1.00 0.00 C ATOM 273 O PHE A 21 9.637 8.605 -1.432 1.00 0.00 O ATOM 274 CB PHE A 21 10.403 6.227 -2.883 1.00 0.00 C ATOM 275 CG PHE A 21 11.108 5.085 -3.559 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.246 4.528 -3.000 1.00 0.00 C ATOM 277 CD2 PHE A 21 10.632 4.571 -4.755 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.897 3.477 -3.619 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.278 3.520 -5.378 1.00 0.00 C ATOM 280 CZ PHE A 21 12.413 2.974 -4.810 1.00 0.00 C ATOM 0 H PHE A 21 12.248 7.700 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 21 11.485 7.736 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.220 5.964 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.429 6.371 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.630 4.919 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.747 4.996 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.783 3.050 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.896 3.126 -6.308 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.921 2.155 -5.297 1.00 0.00 H new ATOM 290 N LYS A 22 10.274 9.770 -3.248 1.00 0.00 N ATOM 291 CA LYS A 22 9.466 10.938 -2.918 1.00 0.00 C ATOM 292 C LYS A 22 7.979 10.601 -2.963 1.00 0.00 C ATOM 293 O LYS A 22 7.429 10.312 -4.026 1.00 0.00 O ATOM 294 CB LYS A 22 9.769 12.083 -3.887 1.00 0.00 C ATOM 295 CG LYS A 22 10.906 12.981 -3.430 1.00 0.00 C ATOM 296 CD LYS A 22 11.579 13.670 -4.605 1.00 0.00 C ATOM 297 CE LYS A 22 12.984 14.132 -4.250 1.00 0.00 C ATOM 298 NZ LYS A 22 12.968 15.302 -3.329 1.00 0.00 N ATOM 0 H LYS A 22 10.810 9.859 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 22 9.720 11.250 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.016 11.666 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.870 12.686 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.523 13.731 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.641 12.390 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.623 12.986 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.981 14.526 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.529 13.311 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.521 14.395 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.945 15.586 -3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.470 16.094 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.478 15.044 -2.449 1.00 0.00 H new ATOM 312 N VAL A 23 7.332 10.640 -1.802 1.00 0.00 N ATOM 313 CA VAL A 23 5.908 10.341 -1.710 1.00 0.00 C ATOM 314 C VAL A 23 5.114 11.573 -1.290 1.00 0.00 C ATOM 315 O VAL A 23 5.684 12.576 -0.859 1.00 0.00 O ATOM 316 CB VAL A 23 5.638 9.204 -0.708 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.298 7.914 -1.172 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.123 9.591 0.681 1.00 0.00 C ATOM 0 H VAL A 23 7.772 10.876 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 23 5.586 10.025 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 23 4.562 9.036 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.096 7.122 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.897 7.630 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.374 8.065 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.924 8.775 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.195 9.788 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.598 10.487 1.013 1.00 0.00 H new ATOM 328 N THR A 24 3.794 11.492 -1.419 1.00 0.00 N ATOM 329 CA THR A 24 2.920 12.600 -1.054 1.00 0.00 C ATOM 330 C THR A 24 1.723 12.113 -0.247 1.00 0.00 C ATOM 331 O THR A 24 0.744 11.620 -0.806 1.00 0.00 O ATOM 332 CB THR A 24 2.414 13.350 -2.301 1.00 0.00 C ATOM 333 OG1 THR A 24 3.509 13.985 -2.969 1.00 0.00 O ATOM 334 CG2 THR A 24 1.373 14.392 -1.920 1.00 0.00 C ATOM 0 H THR A 24 3.306 10.670 -1.774 1.00 0.00 H new ATOM 0 HA THR A 24 3.512 13.282 -0.444 1.00 0.00 H new ATOM 0 HB THR A 24 1.952 12.625 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.179 14.458 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.030 14.909 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.527 13.902 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.815 15.113 -1.232 1.00 0.00 H new ATOM 342 N ASN A 25 1.807 12.255 1.072 1.00 0.00 N ATOM 343 CA ASN A 25 0.729 11.829 1.957 1.00 0.00 C ATOM 344 C ASN A 25 -0.604 12.426 1.517 1.00 0.00 C ATOM 345 O ASN A 25 -0.729 13.640 1.350 1.00 0.00 O ATOM 346 CB ASN A 25 1.033 12.240 3.399 1.00 0.00 C ATOM 347 CG ASN A 25 -0.104 11.908 4.347 1.00 0.00 C ATOM 348 OD1 ASN A 25 -1.099 12.785 4.407 1.00 0.00 O flip ATOM 349 ND2 ASN A 25 -0.087 10.875 5.016 1.00 0.00 N flip ATOM 0 H ASN A 25 2.610 12.662 1.551 1.00 0.00 H new ATOM 0 HA ASN A 25 0.656 10.743 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.940 11.737 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.231 13.311 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.699 10.229 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.859 10.664 5.649 1.00 0.00 H new ATOM 356 N VAL A 26 -1.599 11.565 1.330 1.00 0.00 N ATOM 357 CA VAL A 26 -2.924 12.006 0.911 1.00 0.00 C ATOM 358 C VAL A 26 -4.003 11.476 1.849 1.00 0.00 C ATOM 359 O VAL A 26 -3.705 10.798 2.833 1.00 0.00 O ATOM 360 CB VAL A 26 -3.239 11.550 -0.526 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.229 12.129 -1.504 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.263 10.031 -0.609 1.00 0.00 C ATOM 0 H VAL A 26 -1.513 10.557 1.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.920 13.095 0.946 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.227 11.922 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.468 11.796 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.266 13.218 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.228 11.789 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.487 9.726 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.290 9.635 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.029 9.642 0.062 1.00 0.00 H new ATOM 372 N ASP A 27 -5.256 11.789 1.538 1.00 0.00 N ATOM 373 CA ASP A 27 -6.380 11.342 2.352 1.00 0.00 C ATOM 374 C ASP A 27 -7.236 10.335 1.591 1.00 0.00 C ATOM 375 O ASP A 27 -6.894 9.929 0.480 1.00 0.00 O ATOM 376 CB ASP A 27 -7.234 12.537 2.779 1.00 0.00 C ATOM 377 CG ASP A 27 -8.255 12.924 1.727 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.889 12.971 0.534 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.420 13.180 2.097 1.00 0.00 O ATOM 0 H ASP A 27 -5.519 12.351 0.728 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.982 10.853 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.748 12.298 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.586 13.389 2.983 1.00 0.00 H new ATOM 384 N ASP A 28 -8.349 9.936 2.196 1.00 0.00 N ATOM 385 CA ASP A 28 -9.255 8.976 1.576 1.00 0.00 C ATOM 386 C ASP A 28 -9.613 9.405 0.156 1.00 0.00 C ATOM 387 O ASP A 28 -9.549 8.607 -0.778 1.00 0.00 O ATOM 388 CB ASP A 28 -10.526 8.827 2.413 1.00 0.00 C ATOM 389 CG ASP A 28 -10.412 7.725 3.448 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.367 6.541 3.053 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.367 8.047 4.654 1.00 0.00 O ATOM 0 H ASP A 28 -8.646 10.263 3.116 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.747 8.013 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.740 9.771 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.369 8.617 1.754 1.00 0.00 H new ATOM 396 N GLU A 29 -9.989 10.671 0.004 1.00 0.00 N ATOM 397 CA GLU A 29 -10.359 11.205 -1.302 1.00 0.00 C ATOM 398 C GLU A 29 -9.184 11.133 -2.272 1.00 0.00 C ATOM 399 O GLU A 29 -9.354 10.816 -3.448 1.00 0.00 O ATOM 400 CB GLU A 29 -10.837 12.653 -1.169 1.00 0.00 C ATOM 401 CG GLU A 29 -11.870 12.855 -0.073 1.00 0.00 C ATOM 402 CD GLU A 29 -12.831 13.987 -0.379 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.422 14.939 -1.075 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.992 13.920 0.077 1.00 0.00 O ATOM 0 H GLU A 29 -10.045 11.345 0.767 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.172 10.596 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.978 13.293 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.261 12.976 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.434 11.932 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.360 13.061 0.868 1.00 0.00 H new ATOM 411 N GLY A 30 -7.989 11.430 -1.769 1.00 0.00 N ATOM 412 CA GLY A 30 -6.803 11.394 -2.604 1.00 0.00 C ATOM 413 C GLY A 30 -6.150 12.755 -2.743 1.00 0.00 C ATOM 414 O GLY A 30 -5.344 12.975 -3.647 1.00 0.00 O ATOM 0 H GLY A 30 -7.822 11.695 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.085 10.692 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.070 11.020 -3.592 1.00 0.00 H new ATOM 418 N VAL A 31 -6.501 13.672 -1.847 1.00 0.00 N ATOM 419 CA VAL A 31 -5.944 15.019 -1.875 1.00 0.00 C ATOM 420 C VAL A 31 -4.524 15.039 -1.321 1.00 0.00 C ATOM 421 O VAL A 31 -4.106 14.112 -0.627 1.00 0.00 O ATOM 422 CB VAL A 31 -6.812 16.002 -1.066 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.259 15.943 -1.531 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.709 15.703 0.422 1.00 0.00 C ATOM 0 H VAL A 31 -7.168 13.507 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.928 15.333 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.441 17.013 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.857 16.644 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.313 16.210 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.645 14.933 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.328 16.407 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.053 14.687 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.672 15.801 0.742 1.00 0.00 H new ATOM 434 N GLU A 32 -3.788 16.101 -1.632 1.00 0.00 N ATOM 435 CA GLU A 32 -2.413 16.240 -1.164 1.00 0.00 C ATOM 436 C GLU A 32 -2.349 17.112 0.086 1.00 0.00 C ATOM 437 O GLU A 32 -2.638 18.309 0.038 1.00 0.00 O ATOM 438 CB GLU A 32 -1.536 16.841 -2.264 1.00 0.00 C ATOM 439 CG GLU A 32 -1.506 16.015 -3.539 1.00 0.00 C ATOM 440 CD GLU A 32 -0.570 16.589 -4.585 1.00 0.00 C ATOM 441 OE1 GLU A 32 -0.526 17.829 -4.726 1.00 0.00 O ATOM 442 OE2 GLU A 32 0.119 15.797 -5.262 1.00 0.00 O ATOM 0 H GLU A 32 -4.120 16.877 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.039 15.247 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.897 17.842 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.519 16.949 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.198 14.997 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.513 15.955 -3.952 1.00 0.00 H new ATOM 449 N LEU A 33 -1.970 16.505 1.205 1.00 0.00 N ATOM 450 CA LEU A 33 -1.868 17.225 2.470 1.00 0.00 C ATOM 451 C LEU A 33 -0.435 17.684 2.721 1.00 0.00 C ATOM 452 O LEU A 33 -0.164 18.880 2.822 1.00 0.00 O ATOM 453 CB LEU A 33 -2.342 16.339 3.623 1.00 0.00 C ATOM 454 CG LEU A 33 -3.666 15.605 3.405 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.921 14.619 4.534 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.814 16.597 3.292 1.00 0.00 C ATOM 0 H LEU A 33 -1.728 15.516 1.262 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.507 18.106 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.569 15.599 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.435 16.958 4.516 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.601 15.048 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.867 14.106 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.113 13.888 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.966 15.155 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.748 16.057 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.881 17.182 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.637 17.264 2.448 1.00 0.00 H new ATOM 468 N GLY A 34 0.479 16.724 2.820 1.00 0.00 N ATOM 469 CA GLY A 34 1.874 17.050 3.056 1.00 0.00 C ATOM 470 C GLY A 34 2.816 16.209 2.217 1.00 0.00 C ATOM 471 O GLY A 34 2.568 15.025 1.991 1.00 0.00 O ATOM 0 H GLY A 34 0.279 15.727 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.040 18.105 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.104 16.905 4.111 1.00 0.00 H new ATOM 475 N SER A 35 3.899 16.824 1.752 1.00 0.00 N ATOM 476 CA SER A 35 4.879 16.126 0.928 1.00 0.00 C ATOM 477 C SER A 35 5.975 15.508 1.793 1.00 0.00 C ATOM 478 O SER A 35 6.449 16.123 2.747 1.00 0.00 O ATOM 479 CB SER A 35 5.497 17.086 -0.090 1.00 0.00 C ATOM 480 OG SER A 35 5.985 18.256 0.544 1.00 0.00 O ATOM 0 H SER A 35 4.120 17.803 1.932 1.00 0.00 H new ATOM 0 HA SER A 35 4.366 15.325 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.311 16.588 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.752 17.357 -0.838 1.00 0.00 H new ATOM 0 HG SER A 35 6.377 18.853 -0.127 1.00 0.00 H new ATOM 486 N GLY A 36 6.372 14.287 1.450 1.00 0.00 N ATOM 487 CA GLY A 36 7.408 13.605 2.204 1.00 0.00 C ATOM 488 C GLY A 36 8.217 12.652 1.346 1.00 0.00 C ATOM 489 O GLY A 36 7.830 12.337 0.220 1.00 0.00 O ATOM 0 H GLY A 36 5.995 13.758 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.075 14.343 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.951 13.052 3.025 1.00 0.00 H new ATOM 493 N VAL A 37 9.345 12.191 1.878 1.00 0.00 N ATOM 494 CA VAL A 37 10.211 11.269 1.154 1.00 0.00 C ATOM 495 C VAL A 37 10.368 9.954 1.910 1.00 0.00 C ATOM 496 O VAL A 37 10.824 9.934 3.053 1.00 0.00 O ATOM 497 CB VAL A 37 11.604 11.879 0.913 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.492 10.902 0.157 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.486 13.196 0.161 1.00 0.00 C ATOM 0 H VAL A 37 9.680 12.441 2.808 1.00 0.00 H new ATOM 0 HA VAL A 37 9.735 11.077 0.192 1.00 0.00 H new ATOM 0 HB VAL A 37 12.066 12.079 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.472 11.351 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.603 9.987 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.038 10.668 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.480 13.613 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.004 13.024 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.889 13.896 0.745 1.00 0.00 H new ATOM 509 N MET A 38 9.987 8.857 1.263 1.00 0.00 N ATOM 510 CA MET A 38 10.087 7.537 1.874 1.00 0.00 C ATOM 511 C MET A 38 11.381 6.843 1.461 1.00 0.00 C ATOM 512 O MET A 38 11.669 6.705 0.273 1.00 0.00 O ATOM 513 CB MET A 38 8.885 6.676 1.480 1.00 0.00 C ATOM 514 CG MET A 38 8.770 5.390 2.281 1.00 0.00 C ATOM 515 SD MET A 38 7.287 4.448 1.874 1.00 0.00 S ATOM 516 CE MET A 38 6.107 5.166 3.014 1.00 0.00 C ATOM 0 H MET A 38 9.607 8.856 0.317 1.00 0.00 H new ATOM 0 HA MET A 38 10.094 7.665 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.973 7.258 1.611 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.957 6.429 0.421 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.649 4.773 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.764 5.628 3.345 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.118 4.750 2.824 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.405 4.939 4.037 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.079 6.247 2.876 1.00 0.00 H new ATOM 526 N GLU A 39 12.157 6.410 2.450 1.00 0.00 N ATOM 527 CA GLU A 39 13.421 5.732 2.187 1.00 0.00 C ATOM 528 C GLU A 39 13.328 4.250 2.540 1.00 0.00 C ATOM 529 O GLU A 39 12.870 3.887 3.624 1.00 0.00 O ATOM 530 CB GLU A 39 14.552 6.387 2.983 1.00 0.00 C ATOM 531 CG GLU A 39 15.926 5.822 2.665 1.00 0.00 C ATOM 532 CD GLU A 39 17.037 6.533 3.414 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.756 7.111 4.485 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.187 6.512 2.928 1.00 0.00 O ATOM 0 H GLU A 39 11.933 6.517 3.439 1.00 0.00 H new ATOM 0 HA GLU A 39 13.637 5.821 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.553 7.458 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.355 6.263 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.945 4.761 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.108 5.900 1.593 1.00 0.00 H new ATOM 541 N LEU A 40 13.763 3.400 1.617 1.00 0.00 N ATOM 542 CA LEU A 40 13.729 1.957 1.830 1.00 0.00 C ATOM 543 C LEU A 40 15.097 1.437 2.259 1.00 0.00 C ATOM 544 O LEU A 40 15.859 0.914 1.445 1.00 0.00 O ATOM 545 CB LEU A 40 13.278 1.244 0.553 1.00 0.00 C ATOM 546 CG LEU A 40 11.767 1.107 0.360 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.154 2.445 -0.023 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.458 0.056 -0.696 1.00 0.00 C ATOM 0 H LEU A 40 14.143 3.684 0.714 1.00 0.00 H new ATOM 0 HA LEU A 40 13.015 1.749 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.686 1.781 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.718 0.247 0.543 1.00 0.00 H new ATOM 0 HG LEU A 40 11.327 0.786 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.079 2.328 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.345 3.172 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.599 2.796 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.378 -0.028 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.911 0.348 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.863 -0.906 -0.382 1.00 0.00 H new ATOM 560 N THR A 41 15.403 1.582 3.545 1.00 0.00 N ATOM 561 CA THR A 41 16.678 1.127 4.084 1.00 0.00 C ATOM 562 C THR A 41 16.532 -0.225 4.774 1.00 0.00 C ATOM 563 O THR A 41 15.579 -0.451 5.518 1.00 0.00 O ATOM 564 CB THR A 41 17.259 2.142 5.086 1.00 0.00 C ATOM 565 OG1 THR A 41 16.336 2.355 6.159 1.00 0.00 O ATOM 566 CG2 THR A 41 17.562 3.466 4.401 1.00 0.00 C ATOM 0 H THR A 41 14.784 2.012 4.233 1.00 0.00 H new ATOM 0 HA THR A 41 17.361 1.030 3.240 1.00 0.00 H new ATOM 0 HB THR A 41 18.189 1.735 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.494 1.894 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.971 4.167 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.288 3.305 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.644 3.876 3.979 1.00 0.00 H new ATOM 574 N GLN A 42 17.484 -1.118 4.522 1.00 0.00 N ATOM 575 CA GLN A 42 17.460 -2.447 5.120 1.00 0.00 C ATOM 576 C GLN A 42 16.896 -2.397 6.536 1.00 0.00 C ATOM 577 O GLN A 42 16.151 -3.286 6.950 1.00 0.00 O ATOM 578 CB GLN A 42 18.867 -3.046 5.140 1.00 0.00 C ATOM 579 CG GLN A 42 19.252 -3.739 3.842 1.00 0.00 C ATOM 580 CD GLN A 42 20.742 -4.000 3.740 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.271 -4.904 4.386 1.00 0.00 O ATOM 582 NE2 GLN A 42 21.427 -3.207 2.923 1.00 0.00 N ATOM 0 H GLN A 42 18.280 -0.945 3.909 1.00 0.00 H new ATOM 0 HA GLN A 42 16.812 -3.079 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.587 -2.254 5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.936 -3.762 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.715 -4.685 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.936 -3.125 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.947 -2.470 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.433 -3.336 2.812 1.00 0.00 H new ATOM 591 N SER A 43 17.257 -1.353 7.275 1.00 0.00 N ATOM 592 CA SER A 43 16.790 -1.189 8.647 1.00 0.00 C ATOM 593 C SER A 43 15.266 -1.148 8.701 1.00 0.00 C ATOM 594 O SER A 43 14.631 -2.034 9.271 1.00 0.00 O ATOM 595 CB SER A 43 17.368 0.090 9.255 1.00 0.00 C ATOM 596 OG SER A 43 17.320 0.049 10.671 1.00 0.00 O ATOM 0 H SER A 43 17.871 -0.608 6.947 1.00 0.00 H new ATOM 0 HA SER A 43 17.134 -2.046 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.399 0.219 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.809 0.953 8.894 1.00 0.00 H new ATOM 0 HG SER A 43 17.697 0.877 11.035 1.00 0.00 H new ATOM 602 N GLU A 44 14.686 -0.112 8.102 1.00 0.00 N ATOM 603 CA GLU A 44 13.237 0.045 8.083 1.00 0.00 C ATOM 604 C GLU A 44 12.830 1.236 7.220 1.00 0.00 C ATOM 605 O GLU A 44 13.675 1.890 6.607 1.00 0.00 O ATOM 606 CB GLU A 44 12.702 0.226 9.505 1.00 0.00 C ATOM 607 CG GLU A 44 13.339 1.386 10.252 1.00 0.00 C ATOM 608 CD GLU A 44 13.137 1.295 11.752 1.00 0.00 C ATOM 609 OE1 GLU A 44 13.207 0.172 12.294 1.00 0.00 O ATOM 610 OE2 GLU A 44 12.910 2.348 12.384 1.00 0.00 O ATOM 0 H GLU A 44 15.197 0.630 7.624 1.00 0.00 H new ATOM 0 HA GLU A 44 12.805 -0.859 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.624 0.381 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.870 -0.693 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.407 1.411 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.917 2.323 9.888 1.00 0.00 H new ATOM 617 N LEU A 45 11.531 1.511 7.176 1.00 0.00 N ATOM 618 CA LEU A 45 11.011 2.623 6.388 1.00 0.00 C ATOM 619 C LEU A 45 11.019 3.916 7.198 1.00 0.00 C ATOM 620 O LEU A 45 10.528 3.956 8.326 1.00 0.00 O ATOM 621 CB LEU A 45 9.590 2.315 5.911 1.00 0.00 C ATOM 622 CG LEU A 45 9.476 1.528 4.605 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.040 1.084 4.373 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.974 2.363 3.434 1.00 0.00 C ATOM 0 H LEU A 45 10.819 0.979 7.677 1.00 0.00 H new ATOM 0 HA LEU A 45 11.658 2.756 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.078 1.756 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.056 3.258 5.792 1.00 0.00 H new ATOM 0 HG LEU A 45 10.101 0.639 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.978 0.525 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.718 0.448 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.393 1.959 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.886 1.787 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.375 3.270 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.018 2.630 3.596 1.00 0.00 H new ATOM 636 N VAL A 46 11.577 4.971 6.613 1.00 0.00 N ATOM 637 CA VAL A 46 11.646 6.266 7.279 1.00 0.00 C ATOM 638 C VAL A 46 11.213 7.389 6.343 1.00 0.00 C ATOM 639 O VAL A 46 11.599 7.421 5.174 1.00 0.00 O ATOM 640 CB VAL A 46 13.069 6.559 7.791 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.133 7.938 8.429 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.513 5.487 8.774 1.00 0.00 C ATOM 0 H VAL A 46 11.988 4.954 5.679 1.00 0.00 H new ATOM 0 HA VAL A 46 10.964 6.222 8.128 1.00 0.00 H new ATOM 0 HB VAL A 46 13.752 6.546 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.146 8.128 8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.860 8.693 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.439 7.983 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.520 5.710 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.829 5.466 9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.508 4.516 8.280 1.00 0.00 H new ATOM 652 N LEU A 47 10.409 8.309 6.864 1.00 0.00 N ATOM 653 CA LEU A 47 9.923 9.436 6.075 1.00 0.00 C ATOM 654 C LEU A 47 10.719 10.699 6.382 1.00 0.00 C ATOM 655 O LEU A 47 11.424 10.772 7.389 1.00 0.00 O ATOM 656 CB LEU A 47 8.438 9.675 6.353 1.00 0.00 C ATOM 657 CG LEU A 47 7.462 8.727 5.654 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.043 8.961 6.148 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.539 8.902 4.144 1.00 0.00 C ATOM 0 H LEU A 47 10.080 8.297 7.829 1.00 0.00 H new ATOM 0 HA LEU A 47 10.055 9.193 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.274 9.604 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.194 10.696 6.060 1.00 0.00 H new ATOM 0 HG LEU A 47 7.744 7.702 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.363 8.277 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.998 8.784 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.749 9.989 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.838 8.220 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.283 9.929 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.551 8.683 3.803 1.00 0.00 H new ATOM 671 N HIS A 48 10.601 11.694 5.509 1.00 0.00 N ATOM 672 CA HIS A 48 11.308 12.957 5.688 1.00 0.00 C ATOM 673 C HIS A 48 10.365 14.141 5.494 1.00 0.00 C ATOM 674 O HIS A 48 9.907 14.408 4.382 1.00 0.00 O ATOM 675 CB HIS A 48 12.477 13.056 4.706 1.00 0.00 C ATOM 676 CG HIS A 48 13.577 12.079 4.986 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.385 12.154 6.101 1.00 0.00 N ATOM 678 CD2 HIS A 48 14.001 11.000 4.288 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.259 11.164 6.076 1.00 0.00 C ATOM 680 NE2 HIS A 48 15.047 10.448 4.987 1.00 0.00 N ATOM 0 H HIS A 48 10.022 11.650 4.670 1.00 0.00 H new ATOM 0 HA HIS A 48 11.695 12.986 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.106 12.893 3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.883 14.067 4.738 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.593 10.640 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.018 10.973 6.820 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.574 9.620 4.710 1.00 0.00 H new ATOM 689 N LEU A 49 10.077 14.846 6.582 1.00 0.00 N ATOM 690 CA LEU A 49 9.187 16.000 6.532 1.00 0.00 C ATOM 691 C LEU A 49 9.956 17.292 6.790 1.00 0.00 C ATOM 692 O LEU A 49 11.181 17.284 6.912 1.00 0.00 O ATOM 693 CB LEU A 49 8.064 15.849 7.560 1.00 0.00 C ATOM 694 CG LEU A 49 6.834 15.066 7.100 1.00 0.00 C ATOM 695 CD1 LEU A 49 6.179 15.752 5.911 1.00 0.00 C ATOM 696 CD2 LEU A 49 7.213 13.635 6.749 1.00 0.00 C ATOM 0 H LEU A 49 10.447 14.639 7.510 1.00 0.00 H new ATOM 0 HA LEU A 49 8.753 16.049 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.472 15.360 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.743 16.845 7.866 1.00 0.00 H new ATOM 0 HG LEU A 49 6.116 15.040 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.305 15.181 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.872 16.758 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.890 15.809 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.325 13.093 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.950 13.640 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.636 13.145 7.626 1.00 0.00 H new ATOM 789 N ALA A 54 10.197 12.922 12.224 1.00 0.00 N ATOM 790 CA ALA A 54 10.545 11.822 11.333 1.00 0.00 C ATOM 791 C ALA A 54 9.760 10.563 11.682 1.00 0.00 C ATOM 792 O ALA A 54 9.943 9.981 12.751 1.00 0.00 O ATOM 793 CB ALA A 54 12.041 11.548 11.393 1.00 0.00 C ATOM 0 HA ALA A 54 10.280 12.113 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.287 10.724 10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.587 12.440 11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.322 11.283 12.412 1.00 0.00 H new ATOM 799 N VAL A 55 8.883 10.148 10.773 1.00 0.00 N ATOM 800 CA VAL A 55 8.069 8.957 10.985 1.00 0.00 C ATOM 801 C VAL A 55 8.744 7.719 10.404 1.00 0.00 C ATOM 802 O VAL A 55 9.182 7.721 9.253 1.00 0.00 O ATOM 803 CB VAL A 55 6.673 9.111 10.353 1.00 0.00 C ATOM 804 CG1 VAL A 55 5.806 7.901 10.669 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.009 10.393 10.834 1.00 0.00 C ATOM 0 H VAL A 55 8.718 10.619 9.883 1.00 0.00 H new ATOM 0 HA VAL A 55 7.960 8.836 12.063 1.00 0.00 H new ATOM 0 HB VAL A 55 6.788 9.172 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.824 8.028 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.277 7.002 10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.696 7.805 11.749 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.024 10.486 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.905 10.364 11.919 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.622 11.249 10.551 1.00 0.00 H new ATOM 815 N ARG A 56 8.824 6.663 11.207 1.00 0.00 N ATOM 816 CA ARG A 56 9.446 5.419 10.773 1.00 0.00 C ATOM 817 C ARG A 56 8.491 4.242 10.951 1.00 0.00 C ATOM 818 O ARG A 56 7.467 4.358 11.625 1.00 0.00 O ATOM 819 CB ARG A 56 10.734 5.167 11.558 1.00 0.00 C ATOM 820 CG ARG A 56 11.657 6.373 11.619 1.00 0.00 C ATOM 821 CD ARG A 56 12.681 6.236 12.734 1.00 0.00 C ATOM 822 NE ARG A 56 13.768 5.331 12.371 1.00 0.00 N ATOM 823 CZ ARG A 56 14.791 5.052 13.172 1.00 0.00 C ATOM 824 NH1 ARG A 56 14.865 5.604 14.375 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.741 4.218 12.770 1.00 0.00 N ATOM 0 H ARG A 56 8.466 6.645 12.162 1.00 0.00 H new ATOM 0 HA ARG A 56 9.686 5.513 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.477 4.865 12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.269 4.333 11.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.170 6.488 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.067 7.276 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.091 7.218 12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.189 5.869 13.635 1.00 0.00 H new ATOM 0 HE ARG A 56 13.741 4.889 11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.136 6.245 14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.651 5.388 14.988 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.687 3.790 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.526 4.004 13.385 1.00 0.00 H new ATOM 839 N TRP A 57 8.832 3.112 10.342 1.00 0.00 N ATOM 840 CA TRP A 57 8.005 1.915 10.433 1.00 0.00 C ATOM 841 C TRP A 57 8.848 0.656 10.267 1.00 0.00 C ATOM 842 O TRP A 57 9.392 0.381 9.196 1.00 0.00 O ATOM 843 CB TRP A 57 6.903 1.950 9.372 1.00 0.00 C ATOM 844 CG TRP A 57 5.823 2.946 9.670 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.837 2.831 10.607 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.621 4.208 9.024 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.034 3.945 10.584 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.493 4.805 9.622 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.282 4.892 8.001 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.015 6.052 9.228 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.806 6.130 7.612 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.682 6.700 8.224 1.00 0.00 C ATOM 0 H TRP A 57 9.676 3.000 9.780 1.00 0.00 H new ATOM 0 HA TRP A 57 7.547 1.894 11.422 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.347 2.185 8.405 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.459 0.958 9.287 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.707 1.988 11.269 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.226 4.106 11.186 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.149 4.461 7.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.148 6.492 9.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.310 6.668 6.822 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.335 7.669 7.897 1.00 0.00 H new ATOM 863 N PRO A 58 8.962 -0.129 11.348 1.00 0.00 N ATOM 864 CA PRO A 58 9.738 -1.373 11.346 1.00 0.00 C ATOM 865 C PRO A 58 9.085 -2.462 10.503 1.00 0.00 C ATOM 866 O PRO A 58 7.967 -2.894 10.788 1.00 0.00 O ATOM 867 CB PRO A 58 9.761 -1.779 12.821 1.00 0.00 C ATOM 868 CG PRO A 58 8.544 -1.151 13.406 1.00 0.00 C ATOM 869 CD PRO A 58 8.342 0.137 12.657 1.00 0.00 C ATOM 0 HA PRO A 58 10.729 -1.235 10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.740 -2.863 12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.666 -1.425 13.315 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.678 -1.804 13.299 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.674 -0.966 14.472 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.285 0.383 12.558 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.818 0.976 13.164 1.00 0.00 H new ATOM 877 N TYR A 59 9.787 -2.903 9.465 1.00 0.00 N ATOM 878 CA TYR A 59 9.274 -3.941 8.580 1.00 0.00 C ATOM 879 C TYR A 59 8.560 -5.031 9.374 1.00 0.00 C ATOM 880 O TYR A 59 7.672 -5.711 8.859 1.00 0.00 O ATOM 881 CB TYR A 59 10.413 -4.553 7.763 1.00 0.00 C ATOM 882 CG TYR A 59 11.010 -3.602 6.749 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.197 -2.853 5.908 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.387 -3.454 6.634 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.738 -1.984 4.980 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.936 -2.586 5.710 1.00 0.00 C ATOM 887 CZ TYR A 59 12.108 -1.854 4.885 1.00 0.00 C ATOM 888 OH TYR A 59 12.651 -0.988 3.963 1.00 0.00 O ATOM 0 H TYR A 59 10.714 -2.557 9.216 1.00 0.00 H new ATOM 0 HA TYR A 59 8.555 -3.481 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.198 -4.886 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.043 -5.438 7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.124 -2.952 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.038 -4.027 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.092 -1.410 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.008 -2.481 5.634 1.00 0.00 H new ATOM 0 HH TYR A 59 13.629 -1.014 4.026 1.00 0.00 H new ATOM 898 N LEU A 60 8.955 -5.190 10.633 1.00 0.00 N ATOM 899 CA LEU A 60 8.354 -6.197 11.501 1.00 0.00 C ATOM 900 C LEU A 60 6.884 -5.884 11.760 1.00 0.00 C ATOM 901 O LEU A 60 5.995 -6.596 11.292 1.00 0.00 O ATOM 902 CB LEU A 60 9.112 -6.273 12.827 1.00 0.00 C ATOM 903 CG LEU A 60 9.168 -7.650 13.490 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.217 -7.671 14.591 1.00 0.00 C ATOM 905 CD2 LEU A 60 7.803 -8.031 14.044 1.00 0.00 C ATOM 0 H LEU A 60 9.688 -4.635 11.075 1.00 0.00 H new ATOM 0 HA LEU A 60 8.418 -7.161 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.133 -5.931 12.659 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.653 -5.574 13.526 1.00 0.00 H new ATOM 0 HG LEU A 60 9.449 -8.384 12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.242 -8.659 15.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.195 -7.444 14.166 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.967 -6.926 15.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.862 -9.014 14.512 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.492 -7.294 14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.076 -8.059 13.233 1.00 0.00 H new ATOM 917 N CYS A 61 6.635 -4.814 12.507 1.00 0.00 N ATOM 918 CA CYS A 61 5.272 -4.406 12.828 1.00 0.00 C ATOM 919 C CYS A 61 4.406 -4.367 11.573 1.00 0.00 C ATOM 920 O CYS A 61 3.254 -4.802 11.587 1.00 0.00 O ATOM 921 CB CYS A 61 5.274 -3.033 13.503 1.00 0.00 C ATOM 922 SG CYS A 61 6.076 -3.008 15.123 1.00 0.00 S ATOM 0 H CYS A 61 7.359 -4.214 12.902 1.00 0.00 H new ATOM 0 HA CYS A 61 4.852 -5.140 13.515 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.776 -2.320 12.850 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.244 -2.693 13.614 1.00 0.00 H new ATOM 0 HG CYS A 61 6.029 -1.804 15.612 1.00 0.00 H new ATOM 928 N LEU A 62 4.968 -3.843 10.489 1.00 0.00 N ATOM 929 CA LEU A 62 4.247 -3.746 9.225 1.00 0.00 C ATOM 930 C LEU A 62 3.296 -4.926 9.048 1.00 0.00 C ATOM 931 O LEU A 62 3.697 -5.996 8.590 1.00 0.00 O ATOM 932 CB LEU A 62 5.232 -3.691 8.056 1.00 0.00 C ATOM 933 CG LEU A 62 5.684 -2.296 7.624 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.563 -2.379 6.386 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.480 -1.401 7.366 1.00 0.00 C ATOM 0 H LEU A 62 5.920 -3.479 10.460 1.00 0.00 H new ATOM 0 HA LEU A 62 3.659 -2.828 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.115 -4.270 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.775 -4.185 7.198 1.00 0.00 H new ATOM 0 HG LEU A 62 6.270 -1.859 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.875 -1.376 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.443 -2.984 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.002 -2.837 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.821 -0.412 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.867 -1.835 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.889 -1.315 8.278 1.00 0.00 H new ATOM 947 N ARG A 63 2.034 -4.722 9.412 1.00 0.00 N ATOM 948 CA ARG A 63 1.026 -5.768 9.293 1.00 0.00 C ATOM 949 C ARG A 63 0.912 -6.251 7.850 1.00 0.00 C ATOM 950 O ARG A 63 1.084 -7.437 7.567 1.00 0.00 O ATOM 951 CB ARG A 63 -0.331 -5.256 9.779 1.00 0.00 C ATOM 952 CG ARG A 63 -1.461 -6.257 9.598 1.00 0.00 C ATOM 953 CD ARG A 63 -1.413 -7.349 10.655 1.00 0.00 C ATOM 954 NE ARG A 63 -2.037 -6.927 11.906 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.811 -7.514 13.075 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.978 -8.544 13.153 1.00 0.00 N ATOM 957 NH2 ARG A 63 -2.417 -7.073 14.170 1.00 0.00 N ATOM 0 H ARG A 63 1.686 -3.842 9.792 1.00 0.00 H new ATOM 0 HA ARG A 63 1.334 -6.607 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.254 -4.995 10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.578 -4.341 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.419 -5.740 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.396 -6.706 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.918 -8.239 10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.376 -7.627 10.843 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.682 -6.137 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.510 -8.886 12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.806 -8.994 14.052 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.058 -6.281 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.242 -7.526 15.067 1.00 0.00 H new ATOM 971 N ARG A 64 0.620 -5.325 6.943 1.00 0.00 N ATOM 972 CA ARG A 64 0.481 -5.657 5.530 1.00 0.00 C ATOM 973 C ARG A 64 0.967 -4.508 4.651 1.00 0.00 C ATOM 974 O ARG A 64 0.819 -3.338 5.004 1.00 0.00 O ATOM 975 CB ARG A 64 -0.977 -5.982 5.202 1.00 0.00 C ATOM 976 CG ARG A 64 -1.829 -4.753 4.928 1.00 0.00 C ATOM 977 CD ARG A 64 -3.168 -5.128 4.313 1.00 0.00 C ATOM 978 NE ARG A 64 -3.993 -5.909 5.231 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.235 -6.291 4.958 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.793 -5.967 3.800 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.922 -7.000 5.845 1.00 0.00 N ATOM 0 H ARG A 64 0.475 -4.339 7.161 1.00 0.00 H new ATOM 0 HA ARG A 64 1.097 -6.533 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.007 -6.636 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.412 -6.537 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.994 -4.209 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.295 -4.081 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.702 -4.222 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.000 -5.700 3.400 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.593 -6.175 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.268 -5.423 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.747 -6.262 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.496 -7.252 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.876 -7.293 5.635 1.00 0.00 H new ATOM 995 N TYR A 65 1.548 -4.851 3.507 1.00 0.00 N ATOM 996 CA TYR A 65 2.060 -3.849 2.579 1.00 0.00 C ATOM 997 C TYR A 65 1.467 -4.043 1.187 1.00 0.00 C ATOM 998 O TYR A 65 1.695 -5.063 0.539 1.00 0.00 O ATOM 999 CB TYR A 65 3.586 -3.919 2.510 1.00 0.00 C ATOM 1000 CG TYR A 65 4.114 -5.290 2.154 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.974 -6.359 3.030 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.753 -5.516 0.941 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.455 -7.614 2.709 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.236 -6.767 0.611 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.085 -7.813 1.498 1.00 0.00 C ATOM 1006 OH TYR A 65 5.566 -9.061 1.173 1.00 0.00 O ATOM 0 H TYR A 65 1.676 -5.815 3.200 1.00 0.00 H new ATOM 0 HA TYR A 65 1.765 -2.866 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.941 -3.199 1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.999 -3.619 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.481 -6.207 3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.874 -4.700 0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.338 -8.434 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.729 -6.926 -0.337 1.00 0.00 H new ATOM 0 HH TYR A 65 4.830 -9.708 1.182 1.00 0.00 H new ATOM 1016 N GLY A 66 0.704 -3.053 0.733 1.00 0.00 N ATOM 1017 CA GLY A 66 0.090 -3.133 -0.580 1.00 0.00 C ATOM 1018 C GLY A 66 0.679 -2.135 -1.557 1.00 0.00 C ATOM 1019 O GLY A 66 1.594 -1.386 -1.214 1.00 0.00 O ATOM 0 H GLY A 66 0.500 -2.198 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.215 -4.141 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.982 -2.957 -0.488 1.00 0.00 H new ATOM 1023 N TYR A 67 0.156 -2.125 -2.778 1.00 0.00 N ATOM 1024 CA TYR A 67 0.639 -1.215 -3.809 1.00 0.00 C ATOM 1025 C TYR A 67 -0.457 -0.914 -4.827 1.00 0.00 C ATOM 1026 O TYR A 67 -1.457 -1.627 -4.908 1.00 0.00 O ATOM 1027 CB TYR A 67 1.857 -1.812 -4.516 1.00 0.00 C ATOM 1028 CG TYR A 67 1.502 -2.716 -5.675 1.00 0.00 C ATOM 1029 CD1 TYR A 67 0.748 -3.866 -5.478 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.921 -2.420 -6.966 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.422 -4.696 -6.534 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.599 -3.243 -8.028 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.849 -4.380 -7.807 1.00 0.00 C ATOM 1034 OH TYR A 67 0.526 -5.203 -8.861 1.00 0.00 O ATOM 0 H TYR A 67 -0.603 -2.737 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 67 0.928 -0.281 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.489 -1.002 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.446 -2.377 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.411 -4.116 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.509 -1.531 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.164 -5.587 -6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.932 -2.998 -9.026 1.00 0.00 H new ATOM 0 HH TYR A 67 0.902 -4.837 -9.689 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.260 0.146 -5.603 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.229 0.542 -6.618 1.00 0.00 C ATOM 1046 C ASP A 68 -0.580 1.434 -7.671 1.00 0.00 C ATOM 1047 O ASP A 68 0.478 2.018 -7.437 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.408 1.271 -5.971 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.696 1.095 -6.751 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.801 0.109 -7.511 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.600 1.944 -6.602 1.00 0.00 O ATOM 0 H ASP A 68 0.562 0.747 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.594 -0.361 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.548 0.900 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.176 2.333 -5.893 1.00 0.00 H new ATOM 1056 N SER A 69 -1.221 1.534 -8.831 1.00 0.00 N ATOM 1057 CA SER A 69 -0.703 2.351 -9.923 1.00 0.00 C ATOM 1058 C SER A 69 -0.152 3.673 -9.397 1.00 0.00 C ATOM 1059 O SER A 69 1.024 3.984 -9.581 1.00 0.00 O ATOM 1060 CB SER A 69 -1.801 2.617 -10.954 1.00 0.00 C ATOM 1061 OG SER A 69 -2.185 1.422 -11.611 1.00 0.00 O ATOM 0 H SER A 69 -2.100 1.060 -9.039 1.00 0.00 H new ATOM 0 HA SER A 69 0.109 1.803 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.667 3.059 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.447 3.341 -11.688 1.00 0.00 H new ATOM 0 HG SER A 69 -2.889 1.619 -12.264 1.00 0.00 H new ATOM 1067 N ASN A 70 -1.011 4.447 -8.742 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.611 5.736 -8.190 1.00 0.00 C ATOM 1069 C ASN A 70 -1.067 5.872 -6.741 1.00 0.00 C ATOM 1070 O ASN A 70 -1.451 6.955 -6.297 1.00 0.00 O ATOM 1071 CB ASN A 70 -1.194 6.876 -9.028 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.657 7.130 -8.722 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -3.488 6.227 -8.816 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.979 8.364 -8.353 1.00 0.00 N ATOM 0 H ASN A 70 -1.988 4.204 -8.581 1.00 0.00 H new ATOM 0 HA ASN A 70 0.477 5.793 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.624 7.787 -8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.083 6.639 -10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.948 8.594 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.257 9.082 -8.288 1.00 0.00 H new ATOM 1081 N LEU A 71 -1.021 4.766 -6.006 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.428 4.760 -4.605 1.00 0.00 C ATOM 1083 C LEU A 71 -0.701 3.666 -3.831 1.00 0.00 C ATOM 1084 O LEU A 71 -0.743 2.494 -4.205 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.941 4.560 -4.494 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.595 5.082 -3.214 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.026 4.371 -1.996 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.403 6.587 -3.093 1.00 0.00 C ATOM 0 H LEU A 71 -0.706 3.862 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.162 5.724 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.415 5.048 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.154 3.494 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.664 4.875 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.503 4.755 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.215 3.301 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.952 4.547 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.875 6.941 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.338 6.817 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.859 7.082 -3.950 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.036 4.056 -2.749 1.00 0.00 N ATOM 1101 CA PHE A 72 0.700 3.108 -1.920 1.00 0.00 C ATOM 1102 C PHE A 72 0.425 3.352 -0.439 1.00 0.00 C ATOM 1103 O PHE A 72 0.779 4.398 0.104 1.00 0.00 O ATOM 1104 CB PHE A 72 2.201 3.215 -2.196 1.00 0.00 C ATOM 1105 CG PHE A 72 3.046 2.442 -1.225 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.238 1.079 -1.384 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.650 3.079 -0.152 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.015 0.366 -0.491 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.427 2.370 0.745 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.611 1.012 0.574 1.00 0.00 C ATOM 0 H PHE A 72 0.009 5.022 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 72 0.362 2.103 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.403 2.857 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.494 4.264 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.775 0.568 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.512 4.141 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.156 -0.696 -0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.890 2.878 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.220 0.456 1.272 1.00 0.00 H new ATOM 1120 N SER A 73 -0.208 2.379 0.207 1.00 0.00 N ATOM 1121 CA SER A 73 -0.535 2.488 1.624 1.00 0.00 C ATOM 1122 C SER A 73 -0.019 1.278 2.396 1.00 0.00 C ATOM 1123 O SER A 73 0.350 0.262 1.806 1.00 0.00 O ATOM 1124 CB SER A 73 -2.047 2.621 1.811 1.00 0.00 C ATOM 1125 OG SER A 73 -2.412 2.431 3.168 1.00 0.00 O ATOM 0 H SER A 73 -0.505 1.506 -0.228 1.00 0.00 H new ATOM 0 HA SER A 73 -0.048 3.381 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.372 3.607 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.560 1.889 1.187 1.00 0.00 H new ATOM 0 HG SER A 73 -3.018 1.665 3.239 1.00 0.00 H new ATOM 1131 N PHE A 74 0.003 1.393 3.719 1.00 0.00 N ATOM 1132 CA PHE A 74 0.474 0.310 4.574 1.00 0.00 C ATOM 1133 C PHE A 74 -0.235 0.335 5.925 1.00 0.00 C ATOM 1134 O PHE A 74 -0.721 1.377 6.362 1.00 0.00 O ATOM 1135 CB PHE A 74 1.987 0.413 4.777 1.00 0.00 C ATOM 1136 CG PHE A 74 2.423 1.713 5.389 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.051 2.044 6.682 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.204 2.605 4.672 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.450 3.240 7.249 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.606 3.802 5.234 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.228 4.120 6.523 1.00 0.00 C ATOM 0 H PHE A 74 -0.300 2.226 4.223 1.00 0.00 H new ATOM 0 HA PHE A 74 0.244 -0.634 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.317 -0.408 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.484 0.289 3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.442 1.359 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.502 2.362 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.154 3.486 8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.216 4.488 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.540 5.056 6.963 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.288 -0.821 6.580 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.938 -0.931 7.881 1.00 0.00 C ATOM 1153 C GLU A 75 0.084 -0.839 9.010 1.00 0.00 C ATOM 1154 O GLU A 75 1.262 -1.143 8.821 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.707 -2.250 7.981 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.150 -2.150 7.515 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.270 -2.037 6.008 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -2.234 -1.828 5.343 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.402 -2.157 5.493 1.00 0.00 O ATOM 0 H GLU A 75 0.111 -1.693 6.232 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.638 -0.101 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.194 -3.006 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.691 -2.593 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.699 -3.028 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.618 -1.282 7.979 1.00 0.00 H new ATOM 1166 N SER A 76 -0.376 -0.417 10.183 1.00 0.00 N ATOM 1167 CA SER A 76 0.499 -0.280 11.342 1.00 0.00 C ATOM 1168 C SER A 76 -0.253 -0.602 12.631 1.00 0.00 C ATOM 1169 O SER A 76 -1.368 -0.130 12.846 1.00 0.00 O ATOM 1170 CB SER A 76 1.070 1.138 11.412 1.00 0.00 C ATOM 1171 OG SER A 76 0.037 2.097 11.557 1.00 0.00 O ATOM 0 H SER A 76 -1.349 -0.164 10.356 1.00 0.00 H new ATOM 0 HA SER A 76 1.319 -0.989 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.761 1.214 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.642 1.348 10.508 1.00 0.00 H new ATOM 0 HG SER A 76 0.045 2.450 12.471 1.00 0.00 H new ATOM 1177 N GLY A 77 0.369 -1.409 13.485 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.255 -1.781 14.741 1.00 0.00 C ATOM 1179 C GLY A 77 -0.443 -0.597 15.669 1.00 0.00 C ATOM 1180 O GLY A 77 -0.803 0.494 15.227 1.00 0.00 O ATOM 0 H GLY A 77 1.293 -1.811 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.224 -2.239 14.540 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.356 -2.534 15.238 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.199 -0.812 16.957 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.346 0.246 17.949 1.00 0.00 C ATOM 1186 C ARG A 78 0.957 0.458 18.715 1.00 0.00 C ATOM 1187 O ARG A 78 1.283 1.579 19.106 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.474 -0.094 18.925 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.072 -1.093 19.997 1.00 0.00 C ATOM 1190 CD ARG A 78 -0.451 -0.400 21.200 1.00 0.00 C ATOM 1191 NE ARG A 78 -0.441 -1.258 22.382 1.00 0.00 N ATOM 1192 CZ ARG A 78 -1.468 -1.370 23.217 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -2.580 -0.681 23.002 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.383 -2.171 24.271 1.00 0.00 N ATOM 0 H ARG A 78 0.101 -1.709 17.338 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.594 1.169 17.425 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.816 0.823 19.405 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.319 -0.495 18.365 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.947 -1.660 20.314 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.362 -1.808 19.581 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.570 -0.102 20.960 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.006 0.512 21.419 1.00 0.00 H new ATOM 0 HE ARG A 78 0.400 -1.801 22.577 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.649 -0.063 22.194 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.367 -0.769 23.645 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.529 -2.702 24.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.172 -2.256 24.912 1.00 0.00 H new ATOM 1208 N ARG A 79 1.696 -0.626 18.927 1.00 0.00 N ATOM 1209 CA ARG A 79 2.962 -0.559 19.647 1.00 0.00 C ATOM 1210 C ARG A 79 3.984 0.268 18.873 1.00 0.00 C ATOM 1211 O ARG A 79 5.022 0.653 19.414 1.00 0.00 O ATOM 1212 CB ARG A 79 3.509 -1.967 19.892 1.00 0.00 C ATOM 1213 CG ARG A 79 4.133 -2.600 18.659 1.00 0.00 C ATOM 1214 CD ARG A 79 5.243 -3.570 19.033 1.00 0.00 C ATOM 1215 NE ARG A 79 4.721 -4.800 19.622 1.00 0.00 N ATOM 1216 CZ ARG A 79 4.318 -5.844 18.906 1.00 0.00 C ATOM 1217 NH1 ARG A 79 4.377 -5.806 17.582 1.00 0.00 N ATOM 1218 NH2 ARG A 79 3.854 -6.928 19.514 1.00 0.00 N ATOM 0 H ARG A 79 1.440 -1.561 18.610 1.00 0.00 H new ATOM 0 HA ARG A 79 2.781 -0.075 20.607 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.255 -1.925 20.686 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.700 -2.605 20.248 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.366 -3.125 18.090 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.533 -1.820 18.011 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.826 -3.813 18.145 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.921 -3.090 19.738 1.00 0.00 H new ATOM 0 HE ARG A 79 4.663 -4.861 20.639 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.732 -4.974 17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.067 -6.609 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.806 -6.961 20.532 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.545 -7.729 18.963 1.00 0.00 H new ATOM 1232 N CYS A 80 3.685 0.536 17.608 1.00 0.00 N ATOM 1233 CA CYS A 80 4.579 1.317 16.759 1.00 0.00 C ATOM 1234 C CYS A 80 4.631 2.771 17.217 1.00 0.00 C ATOM 1235 O CYS A 80 4.026 3.136 18.224 1.00 0.00 O ATOM 1236 CB CYS A 80 4.124 1.244 15.301 1.00 0.00 C ATOM 1237 SG CYS A 80 2.352 1.518 15.066 1.00 0.00 S ATOM 0 H CYS A 80 2.830 0.224 17.146 1.00 0.00 H new ATOM 0 HA CYS A 80 5.580 0.894 16.841 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.675 1.985 14.722 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.386 0.266 14.898 1.00 0.00 H new ATOM 0 HG CYS A 80 2.169 2.380 14.111 1.00 0.00 H new ATOM 1243 N GLN A 81 5.359 3.595 16.470 1.00 0.00 N ATOM 1244 CA GLN A 81 5.492 5.008 16.801 1.00 0.00 C ATOM 1245 C GLN A 81 4.240 5.781 16.399 1.00 0.00 C ATOM 1246 O GLN A 81 3.624 6.460 17.223 1.00 0.00 O ATOM 1247 CB GLN A 81 6.718 5.603 16.107 1.00 0.00 C ATOM 1248 CG GLN A 81 6.619 7.103 15.877 1.00 0.00 C ATOM 1249 CD GLN A 81 6.059 7.449 14.511 1.00 0.00 C ATOM 1250 OE1 GLN A 81 5.949 6.589 13.637 1.00 0.00 O ATOM 1251 NE2 GLN A 81 5.702 8.713 14.321 1.00 0.00 N ATOM 0 H GLN A 81 5.865 3.308 15.632 1.00 0.00 H new ATOM 0 HA GLN A 81 5.618 5.092 17.880 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.603 5.394 16.708 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.859 5.105 15.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.986 7.544 16.647 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.608 7.549 15.984 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.811 9.392 15.074 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.319 9.005 13.422 1.00 0.00 H new ATOM 1260 N THR A 82 3.867 5.675 15.127 1.00 0.00 N ATOM 1261 CA THR A 82 2.690 6.365 14.616 1.00 0.00 C ATOM 1262 C THR A 82 1.425 5.890 15.320 1.00 0.00 C ATOM 1263 O THR A 82 0.563 6.693 15.677 1.00 0.00 O ATOM 1264 CB THR A 82 2.530 6.153 13.098 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.832 4.795 12.759 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.442 7.090 12.321 1.00 0.00 C ATOM 0 H THR A 82 4.364 5.117 14.432 1.00 0.00 H new ATOM 0 HA THR A 82 2.835 7.427 14.814 1.00 0.00 H new ATOM 0 HB THR A 82 1.497 6.373 12.830 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.009 4.333 12.496 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.311 6.922 11.252 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.190 8.123 12.559 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.479 6.897 12.594 1.00 0.00 H new ATOM 1274 N GLY A 83 1.320 4.580 15.519 1.00 0.00 N ATOM 1275 CA GLY A 83 0.156 4.021 16.182 1.00 0.00 C ATOM 1276 C GLY A 83 -0.901 3.554 15.201 1.00 0.00 C ATOM 1277 O GLY A 83 -0.780 3.777 13.997 1.00 0.00 O ATOM 0 H GLY A 83 2.020 3.896 15.233 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.465 3.182 16.805 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.275 4.770 16.846 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.938 2.902 15.717 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.019 2.400 14.876 1.00 0.00 C ATOM 1283 C GLN A 84 -3.440 3.445 13.849 1.00 0.00 C ATOM 1284 O GLN A 84 -3.433 4.643 14.128 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.219 2.001 15.737 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.181 0.554 16.201 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.564 -0.017 16.445 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.555 0.714 16.468 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -5.639 -1.330 16.627 1.00 0.00 N ATOM 0 H GLN A 84 -2.053 2.709 16.712 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.654 1.522 14.344 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.262 2.653 16.610 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.134 2.168 15.169 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.669 -0.050 15.452 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.597 0.486 17.119 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.792 -1.898 16.600 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.544 -1.771 16.794 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.805 2.982 12.657 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.223 3.890 11.605 1.00 0.00 C ATOM 1300 C GLY A 85 -3.513 3.623 10.292 1.00 0.00 C ATOM 1301 O GLY A 85 -2.290 3.486 10.257 1.00 0.00 O ATOM 0 H GLY A 85 -3.819 1.995 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.299 3.799 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.029 4.916 11.917 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.281 3.548 9.211 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.718 3.295 7.890 1.00 0.00 C ATOM 1307 C ILE A 86 -3.373 4.600 7.181 1.00 0.00 C ATOM 1308 O ILE A 86 -4.214 5.489 7.049 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.689 2.486 7.010 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.702 1.019 7.442 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.301 2.609 5.544 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.793 0.204 6.783 1.00 0.00 C ATOM 0 H ILE A 86 -5.295 3.659 9.223 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.808 2.714 8.040 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.693 2.890 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.735 0.572 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.825 0.968 8.524 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.996 2.032 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.338 3.656 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.290 2.227 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.742 -0.826 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.766 0.626 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.659 0.224 5.701 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.130 4.707 6.723 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.672 5.903 6.025 1.00 0.00 C ATOM 1326 C PHE A 87 -1.404 5.605 4.553 1.00 0.00 C ATOM 1327 O PHE A 87 -0.659 4.683 4.221 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.405 6.451 6.685 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.491 6.521 8.183 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.494 7.252 8.799 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.430 5.855 8.975 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.576 7.318 10.177 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.353 5.917 10.354 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.651 6.650 10.955 1.00 0.00 C ATOM 0 H PHE A 87 -1.422 3.980 6.823 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.460 6.654 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.441 5.822 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.203 7.448 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.220 7.776 8.195 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.217 5.281 8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.363 7.891 10.645 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.077 5.393 10.960 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.713 6.701 12.032 1.00 0.00 H new ATOM 1344 N ALA A 88 -2.018 6.391 3.675 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.846 6.213 2.239 1.00 0.00 C ATOM 1346 C ALA A 88 -0.949 7.300 1.655 1.00 0.00 C ATOM 1347 O ALA A 88 -0.796 8.372 2.239 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.198 6.210 1.541 1.00 0.00 C ATOM 0 H ALA A 88 -2.639 7.158 3.933 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.362 5.251 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.054 6.076 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.806 5.394 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.704 7.158 1.723 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.358 7.015 0.499 1.00 0.00 N ATOM 1355 CA PHE A 89 0.525 7.968 -0.163 1.00 0.00 C ATOM 1356 C PHE A 89 0.389 7.872 -1.680 1.00 0.00 C ATOM 1357 O PHE A 89 0.078 6.811 -2.222 1.00 0.00 O ATOM 1358 CB PHE A 89 1.978 7.718 0.246 1.00 0.00 C ATOM 1359 CG PHE A 89 2.175 7.627 1.732 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.041 6.415 2.389 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.494 8.754 2.472 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.221 6.329 3.757 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.675 8.674 3.840 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.540 7.460 4.483 1.00 0.00 C ATOM 0 H PHE A 89 -0.475 6.132 0.002 1.00 0.00 H new ATOM 0 HA PHE A 89 0.234 8.971 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.323 6.793 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.601 8.522 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.793 5.527 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.603 9.706 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.112 5.378 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.922 9.561 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.683 7.395 5.551 1.00 0.00 H new ATOM 1374 N LYS A 90 0.623 8.989 -2.361 1.00 0.00 N ATOM 1375 CA LYS A 90 0.527 9.034 -3.815 1.00 0.00 C ATOM 1376 C LYS A 90 1.914 9.066 -4.450 1.00 0.00 C ATOM 1377 O LYS A 90 2.809 9.764 -3.973 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.277 10.258 -4.256 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.770 10.001 -4.359 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.512 11.220 -4.881 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.973 10.906 -5.162 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.546 11.810 -6.198 1.00 0.00 N ATOM 0 H LYS A 90 0.881 9.876 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 90 0.014 8.132 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.105 11.069 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.093 10.595 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.949 9.154 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.161 9.728 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.446 12.027 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.033 11.575 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.065 9.871 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.548 10.999 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.232 11.284 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.024 12.609 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.783 12.168 -6.807 1.00 0.00 H new ATOM 1396 N CYS A 91 2.083 8.309 -5.529 1.00 0.00 N ATOM 1397 CA CYS A 91 3.361 8.253 -6.230 1.00 0.00 C ATOM 1398 C CYS A 91 3.188 7.669 -7.629 1.00 0.00 C ATOM 1399 O CYS A 91 2.069 7.404 -8.067 1.00 0.00 O ATOM 1400 CB CYS A 91 4.365 7.416 -5.436 1.00 0.00 C ATOM 1401 SG CYS A 91 3.798 5.741 -5.061 1.00 0.00 S ATOM 0 H CYS A 91 1.352 7.726 -5.937 1.00 0.00 H new ATOM 0 HA CYS A 91 3.741 9.270 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.296 7.355 -5.999 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.591 7.929 -4.501 1.00 0.00 H new ATOM 0 HG CYS A 91 4.717 5.112 -4.390 1.00 0.00 H new ATOM 1407 N SER A 92 4.303 7.474 -8.325 1.00 0.00 N ATOM 1408 CA SER A 92 4.275 6.928 -9.676 1.00 0.00 C ATOM 1409 C SER A 92 5.105 5.651 -9.763 1.00 0.00 C ATOM 1410 O SER A 92 4.889 4.816 -10.642 1.00 0.00 O ATOM 1411 CB SER A 92 4.799 7.959 -10.677 1.00 0.00 C ATOM 1412 OG SER A 92 4.191 9.223 -10.473 1.00 0.00 O ATOM 0 H SER A 92 5.237 7.686 -7.975 1.00 0.00 H new ATOM 0 HA SER A 92 3.241 6.686 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.880 8.052 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.602 7.617 -11.693 1.00 0.00 H new ATOM 0 HG SER A 92 4.544 9.865 -11.124 1.00 0.00 H new ATOM 1418 N ARG A 93 6.055 5.506 -8.845 1.00 0.00 N ATOM 1419 CA ARG A 93 6.919 4.332 -8.818 1.00 0.00 C ATOM 1420 C ARG A 93 6.557 3.418 -7.651 1.00 0.00 C ATOM 1421 O ARG A 93 7.421 2.755 -7.078 1.00 0.00 O ATOM 1422 CB ARG A 93 8.386 4.754 -8.713 1.00 0.00 C ATOM 1423 CG ARG A 93 8.777 5.257 -7.333 1.00 0.00 C ATOM 1424 CD ARG A 93 8.563 6.757 -7.206 1.00 0.00 C ATOM 1425 NE ARG A 93 9.034 7.479 -8.385 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.573 8.670 -8.750 1.00 0.00 C ATOM 1427 NH1 ARG A 93 7.634 9.270 -8.032 1.00 0.00 N ATOM 1428 NH2 ARG A 93 9.051 9.264 -9.836 1.00 0.00 N ATOM 0 H ARG A 93 6.246 6.187 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 93 6.772 3.782 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.019 3.906 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.584 5.537 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.189 4.739 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.823 5.020 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.503 6.960 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.086 7.124 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 93 9.756 7.045 -8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.263 8.817 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.282 10.185 -8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.773 8.806 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.696 10.179 -10.115 1.00 0.00 H new ATOM 1442 N ALA A 94 5.274 3.388 -7.306 1.00 0.00 N ATOM 1443 CA ALA A 94 4.797 2.554 -6.210 1.00 0.00 C ATOM 1444 C ALA A 94 5.324 1.128 -6.335 1.00 0.00 C ATOM 1445 O ALA A 94 6.009 0.630 -5.442 1.00 0.00 O ATOM 1446 CB ALA A 94 3.276 2.555 -6.168 1.00 0.00 C ATOM 0 H ALA A 94 4.546 3.932 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 94 5.175 2.973 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.934 1.928 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.917 3.574 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.886 2.164 -7.108 1.00 0.00 H new ATOM 1452 N GLU A 95 4.999 0.478 -7.447 1.00 0.00 N ATOM 1453 CA GLU A 95 5.439 -0.892 -7.687 1.00 0.00 C ATOM 1454 C GLU A 95 6.901 -1.072 -7.286 1.00 0.00 C ATOM 1455 O GLU A 95 7.239 -1.981 -6.529 1.00 0.00 O ATOM 1456 CB GLU A 95 5.255 -1.260 -9.161 1.00 0.00 C ATOM 1457 CG GLU A 95 5.224 -2.758 -9.415 1.00 0.00 C ATOM 1458 CD GLU A 95 4.401 -3.125 -10.634 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.318 -2.299 -11.566 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.841 -4.241 -10.656 1.00 0.00 O ATOM 0 H GLU A 95 4.433 0.877 -8.196 1.00 0.00 H new ATOM 0 HA GLU A 95 4.827 -1.555 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.326 -0.819 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.065 -0.818 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.243 -3.122 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.815 -3.263 -8.540 1.00 0.00 H new ATOM 1467 N GLU A 96 7.761 -0.198 -7.799 1.00 0.00 N ATOM 1468 CA GLU A 96 9.186 -0.261 -7.495 1.00 0.00 C ATOM 1469 C GLU A 96 9.415 -0.475 -6.002 1.00 0.00 C ATOM 1470 O GLU A 96 10.215 -1.321 -5.601 1.00 0.00 O ATOM 1471 CB GLU A 96 9.885 1.021 -7.951 1.00 0.00 C ATOM 1472 CG GLU A 96 9.888 1.210 -9.458 1.00 0.00 C ATOM 1473 CD GLU A 96 10.903 0.325 -10.155 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.116 0.570 -9.989 1.00 0.00 O ATOM 1475 OE2 GLU A 96 10.484 -0.613 -10.866 1.00 0.00 O ATOM 0 H GLU A 96 7.496 0.561 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 96 9.609 -1.108 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.395 1.877 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.914 1.011 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.894 0.994 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.102 2.254 -9.689 1.00 0.00 H new ATOM 1482 N ILE A 97 8.707 0.297 -5.184 1.00 0.00 N ATOM 1483 CA ILE A 97 8.832 0.192 -3.736 1.00 0.00 C ATOM 1484 C ILE A 97 8.243 -1.119 -3.227 1.00 0.00 C ATOM 1485 O ILE A 97 8.746 -1.709 -2.270 1.00 0.00 O ATOM 1486 CB ILE A 97 8.135 1.366 -3.024 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.615 2.699 -3.601 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.395 1.307 -1.526 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.635 3.833 -3.400 1.00 0.00 C ATOM 0 H ILE A 97 8.041 1.002 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 97 9.898 0.221 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 97 7.061 1.286 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.565 2.965 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.803 2.577 -4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.896 2.143 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.008 0.370 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.467 1.366 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.042 4.746 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.691 3.589 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.465 3.982 -2.334 1.00 0.00 H new ATOM 1501 N PHE A 98 7.174 -1.572 -3.874 1.00 0.00 N ATOM 1502 CA PHE A 98 6.516 -2.814 -3.487 1.00 0.00 C ATOM 1503 C PHE A 98 7.370 -4.022 -3.863 1.00 0.00 C ATOM 1504 O PHE A 98 7.311 -5.063 -3.212 1.00 0.00 O ATOM 1505 CB PHE A 98 5.143 -2.918 -4.155 1.00 0.00 C ATOM 1506 CG PHE A 98 4.791 -4.313 -4.587 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.165 -5.186 -3.711 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.084 -4.751 -5.868 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.840 -6.470 -4.105 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.761 -6.034 -6.268 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.137 -6.894 -5.386 1.00 0.00 C ATOM 0 H PHE A 98 6.745 -1.097 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 98 6.386 -2.806 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.382 -2.558 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.120 -2.260 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.929 -4.859 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.571 -4.082 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.354 -7.141 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.996 -6.364 -7.269 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.882 -7.896 -5.697 1.00 0.00 H new ATOM 1521 N ASN A 99 8.162 -3.872 -4.919 1.00 0.00 N ATOM 1522 CA ASN A 99 9.028 -4.950 -5.384 1.00 0.00 C ATOM 1523 C ASN A 99 10.266 -5.072 -4.501 1.00 0.00 C ATOM 1524 O ASN A 99 10.800 -6.165 -4.309 1.00 0.00 O ATOM 1525 CB ASN A 99 9.444 -4.708 -6.836 1.00 0.00 C ATOM 1526 CG ASN A 99 8.337 -5.039 -7.818 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.501 -5.905 -7.560 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.327 -4.348 -8.952 1.00 0.00 N ATOM 0 H ASN A 99 8.222 -3.015 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 99 8.468 -5.884 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.735 -3.665 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.322 -5.312 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.606 -4.526 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.040 -3.639 -9.124 1.00 0.00 H new ATOM 1535 N LEU A 100 10.718 -3.943 -3.966 1.00 0.00 N ATOM 1536 CA LEU A 100 11.893 -3.923 -3.102 1.00 0.00 C ATOM 1537 C LEU A 100 11.509 -4.198 -1.652 1.00 0.00 C ATOM 1538 O LEU A 100 12.256 -4.837 -0.911 1.00 0.00 O ATOM 1539 CB LEU A 100 12.603 -2.571 -3.206 1.00 0.00 C ATOM 1540 CG LEU A 100 13.909 -2.437 -2.422 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.909 -3.494 -2.865 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.493 -1.042 -2.593 1.00 0.00 C ATOM 0 H LEU A 100 10.289 -3.030 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 100 12.571 -4.710 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.812 -2.373 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.917 -1.796 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 100 13.693 -2.592 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.832 -3.383 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.492 -4.486 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.121 -3.372 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.422 -0.965 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.694 -0.858 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.782 -0.302 -2.225 1.00 0.00 H new ATOM 1554 N LEU A 101 10.338 -3.713 -1.254 1.00 0.00 N ATOM 1555 CA LEU A 101 9.852 -3.909 0.107 1.00 0.00 C ATOM 1556 C LEU A 101 9.998 -5.366 0.533 1.00 0.00 C ATOM 1557 O LEU A 101 10.731 -5.678 1.471 1.00 0.00 O ATOM 1558 CB LEU A 101 8.387 -3.479 0.214 1.00 0.00 C ATOM 1559 CG LEU A 101 8.143 -2.026 0.624 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.654 -1.717 0.629 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.752 -1.748 1.990 1.00 0.00 C ATOM 0 H LEU A 101 9.708 -3.181 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 101 10.455 -3.292 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.908 -3.649 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.890 -4.128 0.936 1.00 0.00 H new ATOM 0 HG LEU A 101 8.626 -1.376 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.499 -0.679 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.246 -1.876 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.148 -2.374 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.569 -0.709 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.298 -2.406 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.826 -1.929 1.953 1.00 0.00 H new ATOM 1573 N GLN A 102 9.296 -6.254 -0.163 1.00 0.00 N ATOM 1574 CA GLN A 102 9.350 -7.679 0.143 1.00 0.00 C ATOM 1575 C GLN A 102 10.779 -8.203 0.048 1.00 0.00 C ATOM 1576 O GLN A 102 11.150 -9.150 0.741 1.00 0.00 O ATOM 1577 CB GLN A 102 8.443 -8.461 -0.809 1.00 0.00 C ATOM 1578 CG GLN A 102 8.709 -8.173 -2.278 1.00 0.00 C ATOM 1579 CD GLN A 102 7.610 -8.692 -3.184 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.582 -9.873 -3.531 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.696 -7.810 -3.572 1.00 0.00 N ATOM 0 H GLN A 102 8.684 -6.012 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 102 8.999 -7.819 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.573 -9.528 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.403 -8.224 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.814 -7.097 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.657 -8.626 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.758 -6.841 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.932 -8.102 -4.182 1.00 0.00 H new ATOM 1590 N ASP A 103 11.575 -7.581 -0.814 1.00 0.00 N ATOM 1591 CA ASP A 103 12.965 -7.985 -1.000 1.00 0.00 C ATOM 1592 C ASP A 103 13.812 -7.584 0.204 1.00 0.00 C ATOM 1593 O ASP A 103 14.836 -8.205 0.490 1.00 0.00 O ATOM 1594 CB ASP A 103 13.535 -7.356 -2.272 1.00 0.00 C ATOM 1595 CG ASP A 103 13.332 -8.233 -3.492 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.102 -9.202 -3.662 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.403 -7.951 -4.277 1.00 0.00 O ATOM 0 H ASP A 103 11.283 -6.795 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 103 12.993 -9.070 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.060 -6.389 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.600 -7.169 -2.136 1.00 0.00 H new ATOM 1602 N LEU A 104 13.378 -6.543 0.906 1.00 0.00 N ATOM 1603 CA LEU A 104 14.097 -6.058 2.079 1.00 0.00 C ATOM 1604 C LEU A 104 13.576 -6.721 3.350 1.00 0.00 C ATOM 1605 O LEU A 104 14.348 -7.060 4.246 1.00 0.00 O ATOM 1606 CB LEU A 104 13.964 -4.538 2.191 1.00 0.00 C ATOM 1607 CG LEU A 104 14.640 -3.722 1.090 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.445 -2.233 1.332 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.122 -4.060 1.008 1.00 0.00 C ATOM 0 H LEU A 104 12.532 -6.019 0.683 1.00 0.00 H new ATOM 0 HA LEU A 104 15.149 -6.317 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.904 -4.286 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.376 -4.227 3.151 1.00 0.00 H new ATOM 0 HG LEU A 104 14.175 -3.979 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.933 -1.668 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.380 -2.002 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.882 -1.960 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.587 -3.469 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.600 -3.833 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.242 -5.120 0.786 1.00 0.00 H new ATOM 1621 N MET A 105 12.261 -6.905 3.418 1.00 0.00 N ATOM 1622 CA MET A 105 11.637 -7.531 4.578 1.00 0.00 C ATOM 1623 C MET A 105 12.290 -8.874 4.888 1.00 0.00 C ATOM 1624 O MET A 105 12.740 -9.111 6.009 1.00 0.00 O ATOM 1625 CB MET A 105 10.139 -7.723 4.336 1.00 0.00 C ATOM 1626 CG MET A 105 9.362 -6.418 4.268 1.00 0.00 C ATOM 1627 SD MET A 105 7.735 -6.617 3.517 1.00 0.00 S ATOM 1628 CE MET A 105 6.684 -6.559 4.967 1.00 0.00 C ATOM 0 H MET A 105 11.608 -6.630 2.684 1.00 0.00 H new ATOM 0 HA MET A 105 11.778 -6.872 5.435 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.997 -8.270 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.727 -8.341 5.134 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.247 -6.015 5.274 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.935 -5.688 3.696 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.086 -7.469 5.020 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.302 -6.479 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.024 -5.694 4.903 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.589 11.284 7.604 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.040 11.162 7.532 1.00 0.00 C ATOM 2277 C PHE B 2 -4.473 9.710 7.709 1.00 0.00 C ATOM 2278 O PHE B 2 -4.124 8.844 6.906 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.552 11.699 6.194 1.00 0.00 C ATOM 2280 CG PHE B 2 -6.039 11.569 6.025 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.615 10.337 5.763 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.861 12.680 6.129 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.982 10.215 5.607 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.230 12.564 5.975 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.791 11.329 5.714 1.00 0.00 C ATOM 0 HA PHE B 2 -4.470 11.752 8.341 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.275 12.749 6.103 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -4.054 11.166 5.384 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.988 9.462 5.680 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.427 13.648 6.333 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.418 9.249 5.401 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.860 13.437 6.059 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.860 11.235 5.594 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.235 9.451 8.767 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.714 8.104 9.051 1.00 0.00 C ATOM 2297 C ARG B 3 -6.721 7.651 7.998 1.00 0.00 C ATOM 2298 O ARG B 3 -7.448 8.466 7.428 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.354 8.050 10.440 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.768 8.608 10.481 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.771 10.094 10.806 1.00 0.00 C ATOM 2302 NE ARG B 3 -7.241 10.364 12.140 1.00 0.00 N ATOM 2303 CZ ARG B 3 -7.466 11.491 12.806 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -8.208 12.447 12.265 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -6.949 11.662 14.016 1.00 0.00 N ATOM 0 H ARG B 3 -5.534 10.156 9.441 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.859 7.429 9.025 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.371 7.016 10.783 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.732 8.608 11.140 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -8.253 8.444 9.519 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.351 8.070 11.228 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -7.177 10.628 10.065 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -8.789 10.478 10.736 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.667 9.648 12.585 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -8.608 12.318 11.335 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -8.379 13.312 12.778 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -6.378 10.928 14.435 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -7.122 12.528 14.527 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.757 6.348 7.743 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.674 5.786 6.758 1.00 0.00 C ATOM 2321 C LEU B 4 -8.652 4.816 7.414 1.00 0.00 C ATOM 2322 O LEU B 4 -8.450 4.390 8.551 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.893 5.071 5.654 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.418 5.946 4.493 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.459 5.175 3.600 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.606 6.455 3.689 1.00 0.00 C ATOM 0 H LEU B 4 -6.162 5.661 8.205 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.243 6.606 6.320 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.022 4.594 6.103 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.519 4.275 5.250 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.887 6.805 4.904 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.132 5.814 2.780 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.593 4.860 4.182 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.964 4.297 3.197 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.250 7.076 2.867 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.164 5.608 3.289 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.256 7.046 4.335 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.710 4.470 6.689 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.719 3.549 7.200 1.00 0.00 C ATOM 2340 C ARG B 5 -10.498 2.142 6.652 1.00 0.00 C ATOM 2341 O ARG B 5 -10.566 1.159 7.390 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.120 4.038 6.831 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.575 5.246 7.634 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.038 5.570 7.372 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.260 6.026 6.003 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.295 6.774 5.636 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.197 7.149 6.532 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.429 7.149 4.370 1.00 0.00 N ATOM 0 H ARG B 5 -9.891 4.813 5.746 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.628 3.516 8.286 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.140 4.289 5.770 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.830 3.225 6.980 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.428 5.054 8.697 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -11.959 6.108 7.378 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.645 4.685 7.562 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.369 6.340 8.069 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.583 5.756 5.289 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -16.098 6.863 7.506 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -16.990 7.723 6.247 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.737 6.863 3.677 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.224 7.723 4.090 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.235 2.054 5.352 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.005 0.767 4.704 1.00 0.00 C ATOM 2364 C HIS B 6 -8.821 0.846 3.745 1.00 0.00 C ATOM 2365 O HIS B 6 -8.480 1.921 3.250 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.258 0.320 3.951 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.352 0.877 2.563 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.723 0.304 1.478 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.010 1.959 2.086 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -10.987 1.012 0.395 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.767 2.021 0.736 1.00 0.00 N ATOM 0 H HIS B 6 -10.176 2.858 4.727 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.775 0.034 5.478 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.272 -0.769 3.899 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.139 0.623 4.516 1.00 0.00 H new ATOM 0 HD1 HIS B 6 -10.144 -0.535 1.507 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.614 2.646 2.660 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -10.626 0.801 -0.601 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.197 -0.299 3.488 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.050 -0.359 2.590 1.00 0.00 C ATOM 2382 C PHE B 7 -7.473 -0.091 1.149 1.00 0.00 C ATOM 2383 O PHE B 7 -8.199 -0.871 0.533 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.370 -1.726 2.688 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.881 -1.671 2.493 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.125 -0.687 3.109 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.239 -2.602 1.693 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.755 -0.634 2.933 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.870 -2.554 1.513 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.127 -1.568 2.132 1.00 0.00 C ATOM 0 H PHE B 7 -8.466 -1.197 3.889 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.343 0.413 2.892 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.585 -2.160 3.664 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.802 -2.392 1.941 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.612 0.047 3.734 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.815 -3.374 1.205 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.176 0.136 3.421 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.381 -3.287 0.889 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.057 -1.527 1.990 1.00 0.00 H new ATOM 2400 N PRO B 8 -7.008 1.040 0.597 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.325 1.438 -0.778 1.00 0.00 C ATOM 2402 C PRO B 8 -6.651 0.542 -1.811 1.00 0.00 C ATOM 2403 O PRO B 8 -6.768 0.770 -3.016 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.778 2.865 -0.869 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.697 2.922 0.156 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.138 2.017 1.273 1.00 0.00 C ATOM 0 HA PRO B 8 -8.392 1.361 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.391 3.078 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.556 3.601 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.746 2.592 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.552 3.941 0.514 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.290 1.533 1.757 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.675 2.566 2.047 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.947 -0.478 -1.333 1.00 0.00 N ATOM 2415 CA CYS B 9 -5.254 -1.409 -2.216 1.00 0.00 C ATOM 2416 C CYS B 9 -6.051 -2.699 -2.380 1.00 0.00 C ATOM 2417 O CYS B 9 -6.665 -2.933 -3.419 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.860 -1.722 -1.669 1.00 0.00 C ATOM 2419 SG CYS B 9 -3.005 -3.053 -2.545 1.00 0.00 S ATOM 0 H CYS B 9 -5.841 -0.681 -0.339 1.00 0.00 H new ATOM 0 HA CYS B 9 -5.155 -0.938 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.251 -0.819 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.946 -1.991 -0.616 1.00 0.00 H new ATOM 0 HG CYS B 9 -2.442 -2.576 -3.615 1.00 0.00 H new ATOM 2425 N GLY B 10 -6.034 -3.534 -1.345 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.757 -4.791 -1.395 1.00 0.00 C ATOM 2427 C GLY B 10 -5.851 -5.970 -1.688 1.00 0.00 C ATOM 2428 O GLY B 10 -5.982 -7.029 -1.076 1.00 0.00 O ATOM 0 H GLY B 10 -5.533 -3.362 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -7.263 -4.953 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.530 -4.732 -2.161 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.930 -5.787 -2.628 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.999 -6.846 -3.003 1.00 0.00 C ATOM 2434 C ASN B 11 -2.677 -6.697 -2.257 1.00 0.00 C ATOM 2435 O ASN B 11 -1.760 -6.021 -2.725 1.00 0.00 O ATOM 2436 CB ASN B 11 -3.751 -6.824 -4.513 1.00 0.00 C ATOM 2437 CG ASN B 11 -4.980 -7.225 -5.306 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -5.502 -6.443 -6.100 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -5.447 -8.450 -5.094 1.00 0.00 N ATOM 0 H ASN B 11 -4.808 -4.916 -3.144 1.00 0.00 H new ATOM 0 HA ASN B 11 -4.445 -7.802 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -3.439 -5.824 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -2.930 -7.500 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -6.271 -8.776 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -4.982 -9.065 -4.426 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.585 -7.333 -1.094 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.374 -7.273 -0.283 1.00 0.00 C ATOM 2448 C VAL B 12 -0.711 -8.642 -0.185 1.00 0.00 C ATOM 2449 O VAL B 12 -1.383 -9.659 -0.023 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.675 -6.758 1.137 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.766 -7.593 1.789 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.411 -6.763 1.983 1.00 0.00 C ATOM 0 H VAL B 12 -3.334 -7.896 -0.692 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.695 -6.578 -0.777 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.033 -5.731 1.064 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.964 -7.214 2.791 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.676 -7.533 1.192 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.441 -8.631 1.852 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.641 -6.396 2.983 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.022 -7.779 2.050 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.337 -6.117 1.523 1.00 0.00 H new ATOM 2462 N ASN B 13 0.615 -8.660 -0.285 1.00 0.00 N ATOM 2463 CA ASN B 13 1.371 -9.904 -0.207 1.00 0.00 C ATOM 2464 C ASN B 13 1.924 -10.118 1.198 1.00 0.00 C ATOM 2465 O ASN B 13 3.091 -9.831 1.468 1.00 0.00 O ATOM 2466 CB ASN B 13 2.516 -9.894 -1.222 1.00 0.00 C ATOM 2467 CG ASN B 13 3.302 -8.597 -1.193 1.00 0.00 C ATOM 2468 OD1 ASN B 13 2.890 -7.622 -0.564 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.440 -8.581 -1.877 1.00 0.00 N ATOM 0 H ASN B 13 1.187 -7.827 -0.420 1.00 0.00 H new ATOM 0 HA ASN B 13 0.694 -10.726 -0.441 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.188 -10.728 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.112 -10.049 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.012 -7.737 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.742 -9.413 -2.384 1.00 0.00 H new ATOM 2476 N TYR B 14 1.080 -10.625 2.090 1.00 0.00 N ATOM 2477 CA TYR B 14 1.483 -10.876 3.468 1.00 0.00 C ATOM 2478 C TYR B 14 2.942 -11.319 3.537 1.00 0.00 C ATOM 2479 O TYR B 14 3.383 -12.165 2.760 1.00 0.00 O ATOM 2480 CB TYR B 14 0.585 -11.942 4.099 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.885 -11.746 3.804 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.508 -10.529 4.053 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.651 -12.778 3.276 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.851 -10.346 3.786 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.995 -12.603 3.004 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.590 -11.386 3.262 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.927 -11.207 2.993 1.00 0.00 O ATOM 0 H TYR B 14 0.112 -10.870 1.883 1.00 0.00 H new ATOM 0 HA TYR B 14 1.377 -9.945 4.025 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.892 -12.924 3.738 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.734 -11.938 5.179 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.932 -9.712 4.462 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.189 -13.733 3.075 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.320 -9.394 3.986 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.576 -13.415 2.592 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.301 -12.036 2.627 1.00 0.00 H new ATOM 2497 N GLY B 15 3.686 -10.741 4.475 1.00 0.00 N ATOM 2498 CA GLY B 15 5.086 -11.088 4.630 1.00 0.00 C ATOM 2499 C GLY B 15 5.394 -11.659 6.000 1.00 0.00 C ATOM 2500 O GLY B 15 5.723 -12.838 6.128 1.00 0.00 O ATOM 0 H GLY B 15 3.344 -10.038 5.130 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.364 -11.814 3.866 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.697 -10.201 4.464 1.00 0.00 H new