USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 27:sc= -2.41! USER MOD Single : A 15 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.6!) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0252) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 1.33 (180deg=-0.89) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.0763 X(o=0.076,f=-0.35) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0522 USER MOD Single : A 30 SER OG : rot 180:sc= -0.226 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 37 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.94 K(o=-2.9,f=-0.55) USER MOD Single : A 69 GLN : amide:sc= -6.75! K(o=-6.7!,f=-0.85) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.56) USER MOD Single : B 4 MET CE :methyl -162:sc= -0.112 (180deg=-0.558) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.814 7.919 -4.205 1.00 0.00 N ATOM 132 CA ALA A 10 -6.093 6.971 -3.368 1.00 0.00 C ATOM 133 C ALA A 10 -6.811 6.772 -2.036 1.00 0.00 C ATOM 134 O ALA A 10 -6.910 5.652 -1.526 1.00 0.00 O ATOM 135 CB ALA A 10 -4.670 7.456 -3.134 1.00 0.00 C ATOM 0 HA ALA A 10 -6.058 6.012 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.140 6.739 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.156 7.551 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.693 8.426 -2.637 1.00 0.00 H new ATOM 141 N ILE A 11 -7.308 7.875 -1.477 1.00 0.00 N ATOM 142 CA ILE A 11 -8.014 7.839 -0.205 1.00 0.00 C ATOM 143 C ILE A 11 -9.137 6.813 -0.230 1.00 0.00 C ATOM 144 O ILE A 11 -9.308 6.050 0.715 1.00 0.00 O ATOM 145 CB ILE A 11 -8.631 9.204 0.155 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.574 10.310 0.151 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.311 9.122 1.511 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.488 10.132 1.189 1.00 0.00 C ATOM 0 H ILE A 11 -7.232 8.805 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.269 7.570 0.544 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.374 9.454 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.114 10.354 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.066 11.268 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.745 10.090 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.098 8.369 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.578 8.848 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.780 10.957 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.934 10.119 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.967 9.191 1.013 1.00 0.00 H new ATOM 160 N SER A 12 -9.907 6.814 -1.312 1.00 0.00 N ATOM 161 CA SER A 12 -11.025 5.892 -1.453 1.00 0.00 C ATOM 162 C SER A 12 -10.557 4.445 -1.349 1.00 0.00 C ATOM 163 O SER A 12 -11.267 3.601 -0.807 1.00 0.00 O ATOM 164 CB SER A 12 -11.748 6.120 -2.781 1.00 0.00 C ATOM 165 OG SER A 12 -10.889 5.878 -3.881 1.00 0.00 O ATOM 0 H SER A 12 -9.777 7.444 -2.104 1.00 0.00 H new ATOM 0 HA SER A 12 -11.723 6.085 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.616 5.463 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.119 7.144 -2.825 1.00 0.00 H new ATOM 0 HG SER A 12 -11.377 6.030 -4.717 1.00 0.00 H new ATOM 171 N TYR A 13 -9.361 4.159 -1.860 1.00 0.00 N ATOM 172 CA TYR A 13 -8.826 2.807 -1.795 1.00 0.00 C ATOM 173 C TYR A 13 -8.635 2.403 -0.341 1.00 0.00 C ATOM 174 O TYR A 13 -9.116 1.359 0.096 1.00 0.00 O ATOM 175 CB TYR A 13 -7.491 2.707 -2.537 1.00 0.00 C ATOM 176 CG TYR A 13 -6.963 1.291 -2.635 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.743 0.274 -3.172 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.690 0.970 -2.183 1.00 0.00 C ATOM 179 CE1 TYR A 13 -7.268 -1.022 -3.255 1.00 0.00 C ATOM 180 CE2 TYR A 13 -5.209 -0.323 -2.261 1.00 0.00 C ATOM 181 CZ TYR A 13 -6.003 -1.314 -2.798 1.00 0.00 C ATOM 182 OH TYR A 13 -5.532 -2.604 -2.873 1.00 0.00 O ATOM 0 H TYR A 13 -8.753 4.838 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.536 2.133 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.611 3.113 -3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.753 3.328 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.737 0.500 -3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.065 1.744 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.886 -1.801 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.217 -0.556 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.975 -3.071 -3.612 1.00 0.00 H new ATOM 192 N VAL A 14 -7.941 3.257 0.404 1.00 0.00 N ATOM 193 CA VAL A 14 -7.694 3.012 1.823 1.00 0.00 C ATOM 194 C VAL A 14 -9.009 2.960 2.590 1.00 0.00 C ATOM 195 O VAL A 14 -9.205 2.120 3.467 1.00 0.00 O ATOM 196 CB VAL A 14 -6.812 4.115 2.440 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.474 3.786 3.886 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.548 4.317 1.622 1.00 0.00 C ATOM 0 H VAL A 14 -7.539 4.125 0.050 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.176 2.056 1.899 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.375 5.048 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.851 4.577 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.394 3.705 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.935 2.840 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.942 5.100 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.980 3.387 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.815 4.609 0.606 1.00 0.00 H new ATOM 208 N ASN A 15 -9.899 3.882 2.245 1.00 0.00 N ATOM 209 CA ASN A 15 -11.207 3.986 2.879 1.00 0.00 C ATOM 210 C ASN A 15 -12.020 2.709 2.688 1.00 0.00 C ATOM 211 O ASN A 15 -12.641 2.214 3.629 1.00 0.00 O ATOM 212 CB ASN A 15 -11.958 5.191 2.301 1.00 0.00 C ATOM 213 CG ASN A 15 -13.368 5.322 2.843 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.210 4.446 2.642 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.634 6.422 3.538 1.00 0.00 N ATOM 0 H ASN A 15 -9.734 4.578 1.518 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.064 4.126 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.402 6.101 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.998 5.101 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.565 6.566 3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.907 7.123 3.681 1.00 0.00 H new ATOM 222 N LYS A 16 -12.017 2.180 1.468 1.00 0.00 N ATOM 223 CA LYS A 16 -12.757 0.961 1.160 1.00 0.00 C ATOM 224 C LYS A 16 -12.140 -0.236 1.874 1.00 0.00 C ATOM 225 O LYS A 16 -12.851 -1.095 2.391 1.00 0.00 O ATOM 226 CB LYS A 16 -12.780 0.715 -0.352 1.00 0.00 C ATOM 227 CG LYS A 16 -13.656 -0.455 -0.767 1.00 0.00 C ATOM 228 CD LYS A 16 -13.648 -0.653 -2.265 1.00 0.00 C ATOM 229 CE LYS A 16 -14.395 -1.914 -2.643 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.858 -1.793 -2.394 1.00 0.00 N ATOM 0 H LYS A 16 -11.510 2.577 0.677 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.781 1.087 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.132 1.617 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.762 0.536 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.306 -1.364 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.678 -0.284 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.107 0.207 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.620 -0.712 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.224 -2.134 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.999 -2.754 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.339 -2.652 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.028 -1.676 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.230 -0.966 -2.904 1.00 0.00 H new ATOM 244 N ILE A 17 -10.812 -0.281 1.908 1.00 0.00 N ATOM 245 CA ILE A 17 -10.100 -1.365 2.574 1.00 0.00 C ATOM 246 C ILE A 17 -10.472 -1.413 4.052 1.00 0.00 C ATOM 247 O ILE A 17 -10.671 -2.484 4.625 1.00 0.00 O ATOM 248 CB ILE A 17 -8.573 -1.200 2.431 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.156 -1.387 0.969 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.839 -2.183 3.331 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.680 -1.158 0.723 1.00 0.00 C ATOM 0 H ILE A 17 -10.207 0.421 1.482 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.394 -2.299 2.095 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.302 -0.191 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.415 -2.397 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.730 -0.701 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.763 -2.050 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.117 -2.003 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.110 -3.202 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.460 -1.308 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.418 -0.139 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.098 -1.862 1.318 1.00 0.00 H new ATOM 263 N LYS A 18 -10.573 -0.234 4.656 1.00 0.00 N ATOM 264 CA LYS A 18 -10.931 -0.111 6.063 1.00 0.00 C ATOM 265 C LYS A 18 -12.334 -0.646 6.310 1.00 0.00 C ATOM 266 O LYS A 18 -12.545 -1.527 7.143 1.00 0.00 O ATOM 267 CB LYS A 18 -10.869 1.360 6.475 1.00 0.00 C ATOM 268 CG LYS A 18 -11.263 1.619 7.920 1.00 0.00 C ATOM 269 CD LYS A 18 -11.215 3.104 8.251 1.00 0.00 C ATOM 270 CE LYS A 18 -9.786 3.621 8.297 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.002 2.980 9.388 1.00 0.00 N ATOM 0 H LYS A 18 -10.410 0.657 4.187 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.226 -0.695 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.856 1.728 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.525 1.937 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.268 1.237 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.592 1.075 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.781 3.662 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.697 3.279 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.300 3.431 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.795 4.701 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.446 3.703 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.651 2.519 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.360 2.269 8.983 1.00 0.00 H new ATOM 285 N THR A 19 -13.288 -0.085 5.581 1.00 0.00 N ATOM 286 CA THR A 19 -14.690 -0.471 5.702 1.00 0.00 C ATOM 287 C THR A 19 -14.911 -1.932 5.325 1.00 0.00 C ATOM 288 O THR A 19 -15.827 -2.580 5.830 1.00 0.00 O ATOM 289 CB THR A 19 -15.595 0.419 4.824 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.971 0.168 5.127 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.349 0.160 3.345 1.00 0.00 C ATOM 0 H THR A 19 -13.115 0.647 4.892 1.00 0.00 H new ATOM 0 HA THR A 19 -14.957 -0.335 6.750 1.00 0.00 H new ATOM 0 HB THR A 19 -15.354 1.460 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.539 0.738 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.000 0.801 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.308 0.378 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.562 -0.885 3.118 1.00 0.00 H new ATOM 299 N ARG A 20 -14.079 -2.444 4.429 1.00 0.00 N ATOM 300 CA ARG A 20 -14.204 -3.826 3.988 1.00 0.00 C ATOM 301 C ARG A 20 -13.912 -4.799 5.125 1.00 0.00 C ATOM 302 O ARG A 20 -14.763 -5.605 5.499 1.00 0.00 O ATOM 303 CB ARG A 20 -13.262 -4.101 2.812 1.00 0.00 C ATOM 304 CG ARG A 20 -13.247 -5.557 2.375 1.00 0.00 C ATOM 305 CD ARG A 20 -14.649 -6.055 2.065 1.00 0.00 C ATOM 306 NE ARG A 20 -14.672 -7.479 1.743 1.00 0.00 N ATOM 307 CZ ARG A 20 -14.362 -8.439 2.612 1.00 0.00 C ATOM 308 NH1 ARG A 20 -14.014 -8.128 3.853 1.00 0.00 N ATOM 309 NH2 ARG A 20 -14.404 -9.711 2.239 1.00 0.00 N ATOM 0 H ARG A 20 -13.314 -1.927 3.995 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.234 -3.978 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.558 -3.479 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.251 -3.803 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.616 -5.668 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.806 -6.170 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.296 -5.868 2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.057 -5.489 1.228 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.941 -7.754 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.983 -7.151 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.777 -8.866 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.674 -9.954 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.166 -10.446 2.905 1.00 0.00 H new ATOM 323 N PHE A 21 -12.703 -4.723 5.665 1.00 0.00 N ATOM 324 CA PHE A 21 -12.297 -5.606 6.752 1.00 0.00 C ATOM 325 C PHE A 21 -12.567 -4.990 8.125 1.00 0.00 C ATOM 326 O PHE A 21 -11.742 -5.111 9.033 1.00 0.00 O ATOM 327 CB PHE A 21 -10.815 -5.962 6.625 1.00 0.00 C ATOM 328 CG PHE A 21 -10.473 -6.735 5.381 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.356 -6.095 4.158 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.250 -8.100 5.439 1.00 0.00 C ATOM 331 CE1 PHE A 21 -10.028 -6.805 3.016 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.921 -8.815 4.305 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.810 -8.167 3.091 1.00 0.00 C ATOM 0 H PHE A 21 -11.987 -4.060 5.369 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.897 -6.512 6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.229 -5.043 6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.517 -6.546 7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.523 -5.030 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.335 -8.613 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.943 -6.295 2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.751 -9.880 4.367 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.553 -8.724 2.202 1.00 0.00 H new ATOM 343 N LEU A 22 -13.722 -4.345 8.285 1.00 0.00 N ATOM 344 CA LEU A 22 -14.083 -3.737 9.565 1.00 0.00 C ATOM 345 C LEU A 22 -13.985 -4.756 10.697 1.00 0.00 C ATOM 346 O LEU A 22 -13.617 -4.417 11.821 1.00 0.00 O ATOM 347 CB LEU A 22 -15.502 -3.164 9.511 1.00 0.00 C ATOM 348 CG LEU A 22 -15.662 -1.888 8.685 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.124 -1.477 8.616 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.819 -0.764 9.268 1.00 0.00 C ATOM 0 H LEU A 22 -14.420 -4.230 7.550 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.380 -2.927 9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.168 -3.925 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.833 -2.961 10.530 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.313 -2.089 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.218 -0.567 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.704 -2.274 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.499 -1.295 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.946 0.136 8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.137 -0.564 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.769 -1.057 9.265 1.00 0.00 H new ATOM 362 N ASP A 23 -14.320 -6.004 10.389 1.00 0.00 N ATOM 363 CA ASP A 23 -14.274 -7.079 11.372 1.00 0.00 C ATOM 364 C ASP A 23 -12.838 -7.512 11.642 1.00 0.00 C ATOM 365 O ASP A 23 -12.485 -7.839 12.775 1.00 0.00 O ATOM 366 CB ASP A 23 -15.099 -8.271 10.893 1.00 0.00 C ATOM 367 CG ASP A 23 -16.550 -7.909 10.643 1.00 0.00 C ATOM 368 OD1 ASP A 23 -16.805 -7.039 9.784 1.00 0.00 O ATOM 369 OD2 ASP A 23 -17.431 -8.496 11.305 1.00 0.00 O ATOM 0 H ASP A 23 -14.628 -6.297 9.462 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.699 -6.703 12.303 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.663 -8.665 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.049 -9.066 11.637 1.00 0.00 H new ATOM 374 N HIS A 24 -12.018 -7.525 10.593 1.00 0.00 N ATOM 375 CA HIS A 24 -10.629 -7.923 10.701 1.00 0.00 C ATOM 376 C HIS A 24 -9.694 -6.712 10.601 1.00 0.00 C ATOM 377 O HIS A 24 -9.096 -6.469 9.553 1.00 0.00 O ATOM 378 CB HIS A 24 -10.311 -8.927 9.600 1.00 0.00 C ATOM 379 CG HIS A 24 -11.093 -10.199 9.705 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.004 -11.048 10.788 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.986 -10.764 8.859 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.808 -12.080 10.602 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.416 -11.931 9.440 1.00 0.00 N ATOM 0 H HIS A 24 -12.303 -7.260 9.650 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.470 -8.382 11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.510 -8.467 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.247 -9.161 9.629 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.411 -10.902 11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.302 -10.370 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.944 -12.905 11.285 1.00 0.00 H new ATOM 392 N PRO A 25 -9.554 -5.932 11.691 1.00 0.00 N ATOM 393 CA PRO A 25 -8.684 -4.747 11.714 1.00 0.00 C ATOM 394 C PRO A 25 -7.229 -5.084 11.403 1.00 0.00 C ATOM 395 O PRO A 25 -6.528 -4.306 10.756 1.00 0.00 O ATOM 396 CB PRO A 25 -8.817 -4.223 13.144 1.00 0.00 C ATOM 397 CG PRO A 25 -9.334 -5.379 13.931 1.00 0.00 C ATOM 398 CD PRO A 25 -10.217 -6.138 12.986 1.00 0.00 C ATOM 0 HA PRO A 25 -8.976 -4.021 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.857 -3.880 13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.501 -3.375 13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.518 -6.004 14.294 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.891 -5.042 14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.276 -7.195 13.247 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.236 -5.752 12.985 1.00 0.00 H new ATOM 406 N GLU A 26 -6.779 -6.246 11.874 1.00 0.00 N ATOM 407 CA GLU A 26 -5.404 -6.687 11.651 1.00 0.00 C ATOM 408 C GLU A 26 -5.024 -6.591 10.175 1.00 0.00 C ATOM 409 O GLU A 26 -3.863 -6.358 9.839 1.00 0.00 O ATOM 410 CB GLU A 26 -5.203 -8.123 12.148 1.00 0.00 C ATOM 411 CG GLU A 26 -6.148 -9.135 11.522 1.00 0.00 C ATOM 412 CD GLU A 26 -7.510 -9.170 12.190 1.00 0.00 C ATOM 413 OE1 GLU A 26 -7.695 -8.466 13.206 1.00 0.00 O ATOM 414 OE2 GLU A 26 -8.388 -9.915 11.707 1.00 0.00 O ATOM 0 H GLU A 26 -7.348 -6.899 12.413 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.753 -6.023 12.219 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.176 -8.426 11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.332 -8.143 13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.274 -8.900 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.698 -10.126 11.577 1.00 0.00 H new ATOM 421 N ILE A 27 -6.008 -6.772 9.300 1.00 0.00 N ATOM 422 CA ILE A 27 -5.773 -6.705 7.861 1.00 0.00 C ATOM 423 C ILE A 27 -5.337 -5.302 7.457 1.00 0.00 C ATOM 424 O ILE A 27 -4.363 -5.124 6.724 1.00 0.00 O ATOM 425 CB ILE A 27 -7.047 -7.057 7.070 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.730 -8.292 7.666 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.712 -7.279 5.600 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.982 -9.586 7.454 1.00 0.00 C ATOM 0 H ILE A 27 -6.975 -6.966 9.561 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.989 -7.427 7.630 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.742 -6.221 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.864 -8.136 8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.725 -8.387 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.622 -7.527 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.275 -6.371 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.999 -8.098 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.538 -10.406 7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.871 -9.771 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.997 -9.516 7.915 1.00 0.00 H new ATOM 440 N TYR A 28 -6.077 -4.309 7.941 1.00 0.00 N ATOM 441 CA TYR A 28 -5.793 -2.911 7.643 1.00 0.00 C ATOM 442 C TYR A 28 -4.425 -2.501 8.180 1.00 0.00 C ATOM 443 O TYR A 28 -3.622 -1.899 7.468 1.00 0.00 O ATOM 444 CB TYR A 28 -6.875 -2.027 8.252 1.00 0.00 C ATOM 445 CG TYR A 28 -6.753 -0.565 7.894 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.915 -0.142 6.584 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.489 0.389 8.867 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.813 1.195 6.249 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.387 1.727 8.541 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.548 2.125 7.231 1.00 0.00 C ATOM 451 OH TYR A 28 -6.448 3.458 6.905 1.00 0.00 O ATOM 0 H TYR A 28 -6.885 -4.450 8.547 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.784 -2.786 6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.850 -2.389 7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.843 -2.128 9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.124 -0.869 5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.361 0.080 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.940 1.509 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.182 2.458 9.309 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.259 3.979 7.713 1.00 0.00 H new ATOM 461 N ARG A 29 -4.174 -2.830 9.443 1.00 0.00 N ATOM 462 CA ARG A 29 -2.910 -2.499 10.092 1.00 0.00 C ATOM 463 C ARG A 29 -1.720 -3.031 9.304 1.00 0.00 C ATOM 464 O ARG A 29 -0.810 -2.278 8.954 1.00 0.00 O ATOM 465 CB ARG A 29 -2.898 -3.077 11.503 1.00 0.00 C ATOM 466 CG ARG A 29 -3.862 -2.386 12.450 1.00 0.00 C ATOM 467 CD ARG A 29 -3.440 -0.951 12.720 1.00 0.00 C ATOM 468 NE ARG A 29 -4.361 -0.265 13.622 1.00 0.00 N ATOM 469 CZ ARG A 29 -4.191 0.987 14.034 1.00 0.00 C ATOM 470 NH1 ARG A 29 -3.134 1.683 13.636 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.076 1.545 14.849 1.00 0.00 N ATOM 0 H ARG A 29 -4.833 -3.328 10.041 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.822 -1.413 10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.146 -4.137 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.889 -3.004 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.865 -2.398 12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.909 -2.936 13.390 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.439 -0.944 13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.385 -0.407 11.777 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.180 -0.775 13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.449 1.257 13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.007 2.644 13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.889 1.013 15.161 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.944 2.506 15.164 1.00 0.00 H new ATOM 485 N SER A 30 -1.730 -4.330 9.035 1.00 0.00 N ATOM 486 CA SER A 30 -0.650 -4.968 8.290 1.00 0.00 C ATOM 487 C SER A 30 -0.416 -4.258 6.958 1.00 0.00 C ATOM 488 O SER A 30 0.719 -3.998 6.574 1.00 0.00 O ATOM 489 CB SER A 30 -0.967 -6.445 8.053 1.00 0.00 C ATOM 490 OG SER A 30 0.073 -7.080 7.330 1.00 0.00 O ATOM 0 H SER A 30 -2.475 -4.965 9.322 1.00 0.00 H new ATOM 0 HA SER A 30 0.262 -4.895 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.109 -6.948 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.904 -6.535 7.503 1.00 0.00 H new ATOM 0 HG SER A 30 -0.153 -8.024 7.193 1.00 0.00 H new ATOM 496 N PHE A 31 -1.501 -3.936 6.263 1.00 0.00 N ATOM 497 CA PHE A 31 -1.412 -3.243 4.982 1.00 0.00 C ATOM 498 C PHE A 31 -0.617 -1.946 5.118 1.00 0.00 C ATOM 499 O PHE A 31 0.259 -1.644 4.301 1.00 0.00 O ATOM 500 CB PHE A 31 -2.820 -2.930 4.468 1.00 0.00 C ATOM 501 CG PHE A 31 -2.846 -2.085 3.227 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.363 -2.577 2.024 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.351 -0.793 3.265 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.387 -1.799 0.882 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.378 -0.011 2.126 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.896 -0.514 0.933 1.00 0.00 C ATOM 0 H PHE A 31 -2.453 -4.144 6.565 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.896 -3.892 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.339 -3.867 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.377 -2.420 5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.964 -3.579 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.727 -0.394 4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.009 -2.194 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.775 0.992 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.917 0.095 0.042 1.00 0.00 H new ATOM 516 N LEU A 32 -0.940 -1.182 6.155 1.00 0.00 N ATOM 517 CA LEU A 32 -0.280 0.092 6.409 1.00 0.00 C ATOM 518 C LEU A 32 1.208 -0.084 6.685 1.00 0.00 C ATOM 519 O LEU A 32 2.034 0.630 6.120 1.00 0.00 O ATOM 520 CB LEU A 32 -0.953 0.800 7.582 1.00 0.00 C ATOM 521 CG LEU A 32 -2.458 1.013 7.423 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.026 1.733 8.633 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.752 1.793 6.153 1.00 0.00 C ATOM 0 H LEU A 32 -1.659 -1.425 6.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.376 0.702 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.776 0.221 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.476 1.770 7.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.938 0.037 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.099 1.876 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.846 1.138 9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.541 2.704 8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.828 1.936 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.260 2.764 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.379 1.239 5.291 1.00 0.00 H new ATOM 535 N GLU A 33 1.555 -1.033 7.553 1.00 0.00 N ATOM 536 CA GLU A 33 2.957 -1.272 7.878 1.00 0.00 C ATOM 537 C GLU A 33 3.721 -1.719 6.638 1.00 0.00 C ATOM 538 O GLU A 33 4.927 -1.529 6.552 1.00 0.00 O ATOM 539 CB GLU A 33 3.104 -2.299 9.007 1.00 0.00 C ATOM 540 CG GLU A 33 2.630 -3.697 8.648 1.00 0.00 C ATOM 541 CD GLU A 33 2.810 -4.685 9.786 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.308 -4.277 10.857 1.00 0.00 O ATOM 543 OE2 GLU A 33 2.455 -5.869 9.605 1.00 0.00 O ATOM 0 H GLU A 33 0.894 -1.640 8.037 1.00 0.00 H new ATOM 0 HA GLU A 33 3.384 -0.333 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.152 -2.348 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.544 -1.950 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.577 -3.659 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.179 -4.050 7.775 1.00 0.00 H new ATOM 550 N ILE A 34 3.011 -2.295 5.667 1.00 0.00 N ATOM 551 CA ILE A 34 3.646 -2.729 4.426 1.00 0.00 C ATOM 552 C ILE A 34 4.134 -1.515 3.645 1.00 0.00 C ATOM 553 O ILE A 34 5.326 -1.384 3.354 1.00 0.00 O ATOM 554 CB ILE A 34 2.683 -3.550 3.556 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.324 -4.842 4.281 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.309 -3.847 2.199 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.263 -5.645 3.581 1.00 0.00 C ATOM 0 H ILE A 34 2.007 -2.470 5.716 1.00 0.00 H new ATOM 0 HA ILE A 34 4.491 -3.366 4.687 1.00 0.00 H new ATOM 0 HB ILE A 34 1.773 -2.974 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.221 -5.452 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.982 -4.602 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.612 -4.430 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.534 -2.910 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.229 -4.414 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.057 -6.551 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.352 -5.052 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.610 -5.915 2.584 1.00 0.00 H new ATOM 569 N LEU A 35 3.204 -0.610 3.337 1.00 0.00 N ATOM 570 CA LEU A 35 3.541 0.617 2.624 1.00 0.00 C ATOM 571 C LEU A 35 4.571 1.403 3.427 1.00 0.00 C ATOM 572 O LEU A 35 5.513 1.975 2.880 1.00 0.00 O ATOM 573 CB LEU A 35 2.289 1.472 2.408 1.00 0.00 C ATOM 574 CG LEU A 35 1.213 0.853 1.511 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.052 1.696 1.545 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.715 0.719 0.081 1.00 0.00 C ATOM 0 H LEU A 35 2.216 -0.705 3.570 1.00 0.00 H new ATOM 0 HA LEU A 35 3.956 0.358 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.846 1.688 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.592 2.426 1.976 1.00 0.00 H new ATOM 0 HG LEU A 35 0.984 -0.143 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.808 1.244 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.428 1.747 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.171 2.702 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.935 0.277 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.973 1.704 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.598 0.080 0.064 1.00 0.00 H new ATOM 588 N HIS A 36 4.371 1.408 4.742 1.00 0.00 N ATOM 589 CA HIS A 36 5.258 2.097 5.669 1.00 0.00 C ATOM 590 C HIS A 36 6.670 1.519 5.616 1.00 0.00 C ATOM 591 O HIS A 36 7.650 2.256 5.495 1.00 0.00 O ATOM 592 CB HIS A 36 4.693 1.985 7.088 1.00 0.00 C ATOM 593 CG HIS A 36 3.968 3.212 7.546 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.555 4.459 7.595 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.699 3.377 7.984 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.676 5.339 8.046 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.544 4.707 8.288 1.00 0.00 N ATOM 0 H HIS A 36 3.589 0.934 5.193 1.00 0.00 H new ATOM 0 HA HIS A 36 5.318 3.146 5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.013 1.134 7.133 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.510 1.777 7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.948 2.607 8.077 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.855 6.394 8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.690 5.137 8.644 1.00 0.00 H new ATOM 606 N THR A 37 6.761 0.195 5.699 1.00 0.00 N ATOM 607 CA THR A 37 8.043 -0.500 5.658 1.00 0.00 C ATOM 608 C THR A 37 8.853 -0.068 4.445 1.00 0.00 C ATOM 609 O THR A 37 10.060 0.153 4.538 1.00 0.00 O ATOM 610 CB THR A 37 7.848 -2.030 5.628 1.00 0.00 C ATOM 611 OG1 THR A 37 7.292 -2.477 6.871 1.00 0.00 O ATOM 612 CG2 THR A 37 9.163 -2.752 5.369 1.00 0.00 C ATOM 0 H THR A 37 5.955 -0.422 5.796 1.00 0.00 H new ATOM 0 HA THR A 37 8.586 -0.234 6.565 1.00 0.00 H new ATOM 0 HB THR A 37 7.163 -2.264 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.315 -2.503 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.990 -3.828 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.568 -2.436 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.873 -2.509 6.160 1.00 0.00 H new ATOM 939 N GLU A 57 8.398 -6.002 -3.431 1.00 0.00 N ATOM 940 CA GLU A 57 8.091 -6.461 -2.080 1.00 0.00 C ATOM 941 C GLU A 57 6.749 -5.918 -1.588 1.00 0.00 C ATOM 942 O GLU A 57 5.953 -6.658 -1.009 1.00 0.00 O ATOM 943 CB GLU A 57 9.215 -6.071 -1.118 1.00 0.00 C ATOM 944 CG GLU A 57 8.910 -6.377 0.340 1.00 0.00 C ATOM 945 CD GLU A 57 10.164 -6.544 1.175 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.989 -7.420 0.837 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.321 -5.805 2.168 1.00 0.00 O ATOM 0 HA GLU A 57 8.012 -7.548 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.126 -6.596 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.415 -5.005 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.304 -5.572 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.314 -7.288 0.399 1.00 0.00 H new ATOM 954 N VAL A 58 6.497 -4.631 -1.821 1.00 0.00 N ATOM 955 CA VAL A 58 5.244 -4.012 -1.391 1.00 0.00 C ATOM 956 C VAL A 58 4.047 -4.804 -1.902 1.00 0.00 C ATOM 957 O VAL A 58 3.122 -5.107 -1.149 1.00 0.00 O ATOM 958 CB VAL A 58 5.122 -2.558 -1.891 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.834 -1.925 -1.388 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.325 -1.737 -1.462 1.00 0.00 C ATOM 0 H VAL A 58 7.139 -4.000 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 58 5.253 -4.011 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 58 5.094 -2.575 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.766 -0.900 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.981 -2.496 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.830 -1.925 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.217 -0.715 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.391 -1.730 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.232 -2.176 -1.878 1.00 0.00 H new ATOM 970 N PHE A 59 4.077 -5.142 -3.184 1.00 0.00 N ATOM 971 CA PHE A 59 3.002 -5.905 -3.803 1.00 0.00 C ATOM 972 C PHE A 59 2.896 -7.295 -3.182 1.00 0.00 C ATOM 973 O PHE A 59 1.809 -7.863 -3.096 1.00 0.00 O ATOM 974 CB PHE A 59 3.237 -6.024 -5.310 1.00 0.00 C ATOM 975 CG PHE A 59 2.172 -6.804 -6.030 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.833 -6.476 -5.886 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.513 -7.867 -6.851 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.146 -7.193 -6.548 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.539 -8.588 -7.515 1.00 0.00 C ATOM 980 CZ PHE A 59 0.208 -8.250 -7.363 1.00 0.00 C ATOM 0 H PHE A 59 4.838 -4.898 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 59 2.065 -5.376 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.295 -5.024 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.202 -6.501 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.551 -5.651 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.552 -8.135 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.186 -6.927 -6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.818 -9.415 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.555 -8.812 -7.881 1.00 0.00 H new ATOM 990 N THR A 60 4.035 -7.840 -2.763 1.00 0.00 N ATOM 991 CA THR A 60 4.073 -9.170 -2.164 1.00 0.00 C ATOM 992 C THR A 60 3.347 -9.212 -0.821 1.00 0.00 C ATOM 993 O THR A 60 2.410 -9.989 -0.639 1.00 0.00 O ATOM 994 CB THR A 60 5.526 -9.648 -1.966 1.00 0.00 C ATOM 995 OG1 THR A 60 6.196 -9.720 -3.230 1.00 0.00 O ATOM 996 CG2 THR A 60 5.569 -11.010 -1.288 1.00 0.00 C ATOM 0 H THR A 60 4.944 -7.381 -2.827 1.00 0.00 H new ATOM 0 HA THR A 60 3.561 -9.837 -2.858 1.00 0.00 H new ATOM 0 HB THR A 60 6.032 -8.927 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.118 -10.023 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.606 -11.321 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.088 -10.946 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.044 -11.740 -1.904 1.00 0.00 H new ATOM 1004 N GLU A 61 3.792 -8.383 0.115 1.00 0.00 N ATOM 1005 CA GLU A 61 3.198 -8.329 1.447 1.00 0.00 C ATOM 1006 C GLU A 61 1.706 -8.025 1.377 1.00 0.00 C ATOM 1007 O GLU A 61 0.904 -8.668 2.055 1.00 0.00 O ATOM 1008 CB GLU A 61 3.916 -7.283 2.300 1.00 0.00 C ATOM 1009 CG GLU A 61 5.399 -7.566 2.486 1.00 0.00 C ATOM 1010 CD GLU A 61 6.088 -6.525 3.348 1.00 0.00 C ATOM 1011 OE1 GLU A 61 6.074 -5.336 2.969 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.642 -6.902 4.402 1.00 0.00 O ATOM 0 H GLU A 61 4.567 -7.735 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 61 3.316 -9.308 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.796 -6.304 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.438 -7.233 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.523 -8.549 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.883 -7.603 1.510 1.00 0.00 H new ATOM 1019 N VAL A 62 1.332 -7.048 0.555 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.071 -6.679 0.409 1.00 0.00 C ATOM 1021 C VAL A 62 -0.869 -7.829 -0.197 1.00 0.00 C ATOM 1022 O VAL A 62 -1.974 -8.131 0.253 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.247 -5.423 -0.468 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.723 -5.087 -0.635 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.507 -4.246 0.131 1.00 0.00 C ATOM 0 H VAL A 62 1.977 -6.502 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.446 -6.457 1.408 1.00 0.00 H new ATOM 0 HB VAL A 62 0.168 -5.631 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.826 -4.198 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.235 -5.924 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.166 -4.899 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.372 -3.368 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.122 -4.037 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.568 -4.488 0.194 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.299 -8.475 -1.212 1.00 0.00 N ATOM 1036 CA ALA A 63 -0.958 -9.600 -1.865 1.00 0.00 C ATOM 1037 C ALA A 63 -1.187 -10.730 -0.868 1.00 0.00 C ATOM 1038 O ALA A 63 -2.246 -11.358 -0.856 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.134 -10.089 -3.049 1.00 0.00 C ATOM 0 H ALA A 63 0.615 -8.238 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.926 -9.266 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.642 -10.929 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.018 -9.280 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.848 -10.408 -2.701 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.190 -10.966 -0.021 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.277 -12.001 1.000 1.00 0.00 C ATOM 1047 C ASN A 64 -1.466 -11.735 1.917 1.00 0.00 C ATOM 1048 O ASN A 64 -2.186 -12.655 2.305 1.00 0.00 O ATOM 1049 CB ASN A 64 1.024 -12.057 1.804 1.00 0.00 C ATOM 1050 CG ASN A 64 2.161 -12.694 1.025 1.00 0.00 C ATOM 1051 OD1 ASN A 64 2.049 -13.830 0.562 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.267 -11.970 0.882 1.00 0.00 N ATOM 0 H ASN A 64 0.691 -10.451 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.425 -12.966 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.310 -11.047 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.856 -12.620 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.064 -12.352 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.318 -11.033 1.281 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.673 -10.462 2.237 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.785 -10.045 3.083 1.00 0.00 C ATOM 1061 C LEU A 65 -4.110 -10.266 2.374 1.00 0.00 C ATOM 1062 O LEU A 65 -4.982 -10.991 2.853 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.650 -8.561 3.397 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.206 -8.214 4.810 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.959 -6.721 4.898 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.258 -8.645 5.822 1.00 0.00 C ATOM 0 H LEU A 65 -1.079 -9.695 1.920 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.762 -10.636 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.937 -8.126 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.612 -8.082 3.212 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.284 -8.747 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.640 -6.464 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.181 -6.439 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.878 -6.186 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.923 -8.389 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.197 -8.133 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.409 -9.722 5.754 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.244 -9.603 1.232 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.452 -9.672 0.415 1.00 0.00 C ATOM 1080 C PHE A 66 -5.611 -11.030 -0.266 1.00 0.00 C ATOM 1081 O PHE A 66 -6.109 -11.104 -1.391 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.411 -8.580 -0.656 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.507 -7.169 -0.133 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.332 -6.879 1.214 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.766 -6.127 -1.008 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.416 -5.579 1.674 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.852 -4.825 -0.552 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.676 -4.551 0.790 1.00 0.00 C ATOM 0 H PHE A 66 -3.518 -9.001 0.844 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.303 -9.527 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.483 -8.680 -1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.229 -8.748 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.128 -7.679 1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.902 -6.334 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.278 -5.367 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.057 -4.022 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.742 -3.534 1.147 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.205 -12.102 0.403 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.332 -13.432 -0.174 1.00 0.00 C ATOM 1100 C ARG A 67 -6.804 -13.763 -0.392 1.00 0.00 C ATOM 1101 O ARG A 67 -7.595 -13.776 0.551 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.674 -14.478 0.731 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.762 -15.895 0.184 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.143 -16.900 1.142 1.00 0.00 C ATOM 1105 NE ARG A 67 -2.730 -16.627 1.390 1.00 0.00 N ATOM 1106 CZ ARG A 67 -1.968 -17.363 2.194 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.480 -18.412 2.824 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -0.690 -17.049 2.369 1.00 0.00 N ATOM 0 H ARG A 67 -4.790 -12.077 1.334 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.820 -13.448 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.625 -14.216 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.146 -14.446 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.806 -16.154 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.253 -15.947 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.686 -16.881 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.251 -17.904 0.732 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.304 -15.828 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.461 -18.657 2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.892 -18.974 3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.292 -16.243 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.106 -17.614 2.986 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.167 -14.013 -1.645 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.547 -14.318 -1.969 1.00 0.00 C ATOM 1124 C GLY A 68 -9.338 -13.070 -2.321 1.00 0.00 C ATOM 1125 O GLY A 68 -10.153 -13.087 -3.245 1.00 0.00 O ATOM 0 H GLY A 68 -6.530 -14.010 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.577 -15.015 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.016 -14.818 -1.122 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.092 -11.982 -1.591 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.783 -10.718 -1.843 1.00 0.00 C ATOM 1131 C GLN A 69 -9.085 -9.943 -2.959 1.00 0.00 C ATOM 1132 O GLN A 69 -8.724 -8.777 -2.791 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.854 -9.862 -0.572 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.514 -10.564 0.604 1.00 0.00 C ATOM 1135 CD GLN A 69 -9.562 -11.472 1.363 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -9.987 -12.283 2.186 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -8.264 -11.320 1.116 1.00 0.00 N ATOM 0 H GLN A 69 -8.422 -11.951 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.801 -10.950 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.844 -9.567 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.403 -8.947 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.916 -9.816 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.358 -11.152 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.953 -10.636 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.580 -11.887 1.617 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.890 -10.607 -4.092 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.223 -10.004 -5.241 1.00 0.00 C ATOM 1148 C GLU A 70 -8.973 -8.775 -5.760 1.00 0.00 C ATOM 1149 O GLU A 70 -8.479 -8.075 -6.643 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.086 -11.033 -6.364 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.298 -12.268 -5.962 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.172 -13.272 -7.092 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -6.604 -12.914 -8.146 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -7.643 -14.417 -6.922 1.00 0.00 O ATOM 0 H GLU A 70 -9.187 -11.571 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.236 -9.678 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.080 -11.337 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.599 -10.563 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.303 -11.969 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.784 -12.744 -5.111 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.162 -8.514 -5.219 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.949 -7.364 -5.654 1.00 0.00 C ATOM 1163 C ASP A 71 -10.225 -6.059 -5.327 1.00 0.00 C ATOM 1164 O ASP A 71 -10.068 -5.197 -6.192 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.347 -7.397 -5.030 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.325 -7.592 -3.527 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.840 -6.692 -2.817 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.798 -8.650 -3.060 1.00 0.00 O ATOM 0 H ASP A 71 -10.597 -9.076 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.067 -7.417 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.863 -6.465 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.923 -8.202 -5.486 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.759 -5.932 -4.089 1.00 0.00 N ATOM 1174 CA LEU A 72 -9.021 -4.744 -3.669 1.00 0.00 C ATOM 1175 C LEU A 72 -7.640 -4.756 -4.302 1.00 0.00 C ATOM 1176 O LEU A 72 -7.155 -3.744 -4.816 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.887 -4.712 -2.145 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.206 -4.695 -1.375 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.954 -4.852 0.116 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.965 -3.407 -1.660 1.00 0.00 C ATOM 0 H LEU A 72 -9.878 -6.635 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.565 -3.857 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.312 -5.582 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.311 -3.830 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.815 -5.535 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.905 -4.838 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.448 -5.799 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.328 -4.032 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.903 -3.407 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.361 -2.553 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.175 -3.337 -2.727 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.020 -5.927 -4.253 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.699 -6.141 -4.802 1.00 0.00 C ATOM 1194 C LEU A 73 -5.617 -5.680 -6.251 1.00 0.00 C ATOM 1195 O LEU A 73 -4.597 -5.146 -6.685 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.368 -7.616 -4.695 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.914 -7.991 -4.941 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.964 -6.908 -4.444 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -3.645 -9.284 -4.223 1.00 0.00 C ATOM 0 H LEU A 73 -7.428 -6.759 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.977 -5.552 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.648 -7.960 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.989 -8.160 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.744 -8.099 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.935 -7.211 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.171 -5.974 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.105 -6.764 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.608 -9.579 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.826 -9.152 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.306 -10.059 -4.610 1.00 0.00 H new ATOM 1211 N SER A 74 -6.701 -5.888 -6.994 1.00 0.00 N ATOM 1212 CA SER A 74 -6.755 -5.489 -8.394 1.00 0.00 C ATOM 1213 C SER A 74 -6.447 -4.004 -8.540 1.00 0.00 C ATOM 1214 O SER A 74 -5.684 -3.602 -9.418 1.00 0.00 O ATOM 1215 CB SER A 74 -8.132 -5.798 -8.983 1.00 0.00 C ATOM 1216 OG SER A 74 -8.196 -5.429 -10.350 1.00 0.00 O ATOM 0 H SER A 74 -7.553 -6.331 -6.648 1.00 0.00 H new ATOM 0 HA SER A 74 -6.002 -6.057 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.345 -6.862 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.899 -5.264 -8.422 1.00 0.00 H new ATOM 0 HG SER A 74 -9.086 -5.638 -10.704 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.041 -3.194 -7.668 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.823 -1.753 -7.695 1.00 0.00 C ATOM 1224 C GLU A 75 -5.379 -1.426 -7.329 1.00 0.00 C ATOM 1225 O GLU A 75 -4.749 -0.570 -7.953 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.793 -1.050 -6.744 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.254 -1.271 -7.105 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.208 -0.471 -6.239 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.731 0.293 -5.376 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.436 -0.607 -6.427 1.00 0.00 O ATOM 0 H GLU A 75 -7.676 -3.511 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.010 -1.392 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.619 -1.407 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.583 0.020 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.409 -1.002 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.489 -2.331 -7.011 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.858 -2.118 -6.320 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.482 -1.911 -5.876 1.00 0.00 C ATOM 1239 C PHE A 76 -2.504 -2.155 -7.021 1.00 0.00 C ATOM 1240 O PHE A 76 -1.571 -1.380 -7.234 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.160 -2.849 -4.709 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.795 -2.641 -4.111 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.346 -1.368 -3.790 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.965 -3.722 -3.860 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.095 -1.180 -3.232 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.285 -3.540 -3.301 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.721 -2.266 -2.987 1.00 0.00 C ATOM 0 H PHE A 76 -5.368 -2.828 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.379 -0.877 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.910 -2.713 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.241 -3.880 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.981 -0.515 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.300 -4.719 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.244 -0.184 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.921 -4.392 -3.109 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.698 -2.121 -2.551 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.730 -3.242 -7.751 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.873 -3.592 -8.868 1.00 0.00 C ATOM 1259 C GLY A 77 -1.884 -2.550 -9.969 1.00 0.00 C ATOM 1260 O GLY A 77 -0.858 -2.297 -10.599 1.00 0.00 O ATOM 0 H GLY A 77 -3.499 -3.892 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.852 -3.723 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.192 -4.550 -9.278 1.00 0.00 H new ATOM 1423 N ILE B 2 2.076 4.676 -4.552 1.00 0.00 N ATOM 1424 CA ILE B 2 2.446 4.294 -3.193 1.00 0.00 C ATOM 1425 C ILE B 2 2.627 5.522 -2.304 1.00 0.00 C ATOM 1426 O ILE B 2 2.267 5.501 -1.132 1.00 0.00 O ATOM 1427 CB ILE B 2 3.726 3.445 -3.175 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.510 2.136 -3.944 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.172 3.170 -1.744 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.354 1.303 -3.429 1.00 0.00 C ATOM 0 HA ILE B 2 1.628 3.692 -2.798 1.00 0.00 H new ATOM 0 HB ILE B 2 4.519 4.005 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE B 2 3.337 2.368 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.423 1.542 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.080 2.567 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.370 4.114 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.386 2.631 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.267 0.394 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.532 1.038 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.430 1.877 -3.505 1.00 0.00 H new ATOM 1442 N GLN B 3 3.168 6.595 -2.869 1.00 0.00 N ATOM 1443 CA GLN B 3 3.367 7.831 -2.129 1.00 0.00 C ATOM 1444 C GLN B 3 2.020 8.411 -1.721 1.00 0.00 C ATOM 1445 O GLN B 3 1.821 8.815 -0.576 1.00 0.00 O ATOM 1446 CB GLN B 3 4.154 8.831 -2.985 1.00 0.00 C ATOM 1447 CG GLN B 3 3.959 10.289 -2.593 1.00 0.00 C ATOM 1448 CD GLN B 3 4.215 10.548 -1.123 1.00 0.00 C ATOM 1449 OE1 GLN B 3 5.303 10.289 -0.610 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.203 11.069 -0.437 1.00 0.00 N ATOM 0 H GLN B 3 3.477 6.632 -3.840 1.00 0.00 H new ATOM 0 HA GLN B 3 3.942 7.624 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.215 8.589 -2.920 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.862 8.706 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.628 10.911 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN B 3 2.941 10.592 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.318 11.267 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN B 3 3.311 11.270 0.557 1.00 0.00 H new ATOM 1459 N MET B 4 1.097 8.438 -2.672 1.00 0.00 N ATOM 1460 CA MET B 4 -0.239 8.959 -2.430 1.00 0.00 C ATOM 1461 C MET B 4 -1.050 8.001 -1.562 1.00 0.00 C ATOM 1462 O MET B 4 -1.769 8.428 -0.659 1.00 0.00 O ATOM 1463 CB MET B 4 -0.953 9.197 -3.758 1.00 0.00 C ATOM 1464 CG MET B 4 -0.158 10.064 -4.719 1.00 0.00 C ATOM 1465 SD MET B 4 -1.082 10.476 -6.211 1.00 0.00 S ATOM 1466 CE MET B 4 -1.437 8.841 -6.853 1.00 0.00 C ATOM 0 H MET B 4 1.251 8.103 -3.623 1.00 0.00 H new ATOM 0 HA MET B 4 -0.147 9.905 -1.897 1.00 0.00 H new ATOM 0 HB2 MET B 4 -1.157 8.236 -4.230 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.916 9.669 -3.565 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.137 10.984 -4.213 1.00 0.00 H new ATOM 0 HG3 MET B 4 0.759 9.545 -4.996 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.711 8.915 -7.905 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.554 8.211 -6.752 1.00 0.00 H new ATOM 0 HE3 MET B 4 -2.263 8.402 -6.293 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.933 6.707 -1.846 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.657 5.688 -1.093 1.00 0.00 C ATOM 1478 C LEU B 5 -1.197 5.660 0.361 1.00 0.00 C ATOM 1479 O LEU B 5 -2.012 5.673 1.284 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.461 4.313 -1.740 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.308 3.187 -1.144 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -3.769 3.594 -1.090 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -2.149 1.915 -1.962 1.00 0.00 C ATOM 0 H LEU B 5 -0.343 6.339 -2.593 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.718 5.937 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.688 4.394 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -0.410 4.037 -1.659 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.961 2.996 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -4.357 2.782 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.876 4.484 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -4.124 3.809 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.758 1.123 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.473 2.098 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.102 1.610 -1.961 1.00 0.00 H new ATOM 1495 N LEU B 6 0.115 5.639 0.552 1.00 0.00 N ATOM 1496 CA LEU B 6 0.704 5.632 1.885 1.00 0.00 C ATOM 1497 C LEU B 6 0.281 6.878 2.650 1.00 0.00 C ATOM 1498 O LEU B 6 -0.115 6.808 3.814 1.00 0.00 O ATOM 1499 CB LEU B 6 2.228 5.574 1.772 1.00 0.00 C ATOM 1500 CG LEU B 6 3.003 5.767 3.075 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.812 4.583 4.008 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.475 5.971 2.778 1.00 0.00 C ATOM 0 H LEU B 6 0.797 5.626 -0.206 1.00 0.00 H new ATOM 0 HA LEU B 6 0.353 4.755 2.428 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.505 4.609 1.347 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.550 6.338 1.064 1.00 0.00 H new ATOM 0 HG LEU B 6 2.614 6.654 3.575 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.375 4.749 4.926 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.754 4.474 4.246 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.170 3.675 3.522 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.019 6.108 3.712 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.865 5.098 2.255 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.601 6.855 2.152 1.00 0.00 H new ATOM 1514 N GLU B 7 0.356 8.017 1.972 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.029 9.293 2.558 1.00 0.00 C ATOM 1516 C GLU B 7 -1.517 9.296 2.888 1.00 0.00 C ATOM 1517 O GLU B 7 -1.952 9.915 3.860 1.00 0.00 O ATOM 1518 CB GLU B 7 0.302 10.431 1.589 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.060 11.812 2.117 1.00 0.00 C ATOM 1520 CD GLU B 7 0.722 12.197 3.360 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.590 11.405 3.790 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.471 13.293 3.902 1.00 0.00 O ATOM 0 H GLU B 7 0.683 8.081 1.008 1.00 0.00 H new ATOM 0 HA GLU B 7 0.530 9.441 3.482 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.368 10.406 1.365 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.225 10.261 0.650 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.121 12.552 1.337 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.126 11.841 2.342 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.290 8.597 2.063 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.734 8.504 2.242 1.00 0.00 C ATOM 1531 C ALA B 8 -4.094 7.949 3.615 1.00 0.00 C ATOM 1532 O ALA B 8 -4.996 8.458 4.281 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.333 7.631 1.149 1.00 0.00 C ATOM 0 H ALA B 8 -1.936 8.082 1.257 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.149 9.510 2.173 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.412 7.564 1.287 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.118 8.069 0.174 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.898 6.633 1.202 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.390 6.901 4.031 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.639 6.275 5.324 1.00 0.00 C ATOM 1541 C ALA B 9 -3.549 7.297 6.452 1.00 0.00 C ATOM 1542 O ALA B 9 -4.412 7.348 7.328 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.652 5.143 5.560 1.00 0.00 C ATOM 0 H ALA B 9 -2.642 6.467 3.490 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.650 5.867 5.315 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.849 4.684 6.529 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.762 4.395 4.775 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.636 5.537 5.545 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.499 8.113 6.420 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.296 9.140 7.435 1.00 0.00 C ATOM 1551 C ASP B 10 -3.469 10.115 7.446 1.00 0.00 C ATOM 1552 O ASP B 10 -3.874 10.605 8.499 1.00 0.00 O ATOM 1553 CB ASP B 10 -0.991 9.895 7.177 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.730 10.973 8.211 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -0.637 10.636 9.410 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.618 12.154 7.822 1.00 0.00 O ATOM 0 H ASP B 10 -1.776 8.082 5.701 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.234 8.654 8.408 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.161 9.189 7.175 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.027 10.348 6.186 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.006 10.390 6.261 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.133 11.305 6.122 1.00 0.00 C ATOM 1563 C TYR B 11 -6.381 10.749 6.804 1.00 0.00 C ATOM 1564 O TYR B 11 -7.057 11.458 7.550 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.423 11.560 4.642 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.608 12.467 4.402 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.591 13.795 4.814 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.742 11.994 3.755 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.674 14.624 4.589 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.827 12.817 3.524 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.788 14.130 3.943 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.868 14.954 3.715 1.00 0.00 O ATOM 0 H TYR B 11 -3.678 9.991 5.382 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.866 12.244 6.607 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.540 12.000 4.179 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.601 10.606 4.146 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.719 14.185 5.317 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.776 10.966 3.427 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.648 15.653 4.917 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.701 12.434 3.018 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.569 14.453 3.249 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.682 9.479 6.539 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.853 8.828 7.125 1.00 0.00 C ATOM 1584 C LEU B 12 -7.626 8.477 8.594 1.00 0.00 C ATOM 1585 O LEU B 12 -8.266 7.572 9.129 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.191 7.554 6.350 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.656 7.760 4.907 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.897 6.415 4.232 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.917 8.611 4.869 1.00 0.00 C ATOM 0 H LEU B 12 -6.132 8.880 5.923 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.683 9.532 7.063 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.310 6.912 6.341 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -8.971 7.018 6.891 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.872 8.286 4.362 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.227 6.577 3.206 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.972 5.839 4.229 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.664 5.866 4.778 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.233 8.747 3.835 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.709 8.113 5.428 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.713 9.584 5.317 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.714 9.192 9.240 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.409 8.949 10.646 1.00 0.00 C ATOM 1603 C GLU B 13 -7.614 9.283 11.521 1.00 0.00 C ATOM 1604 O GLU B 13 -8.153 10.401 11.381 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.192 9.776 11.075 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.662 9.435 12.463 1.00 0.00 C ATOM 1607 CD GLU B 13 -5.608 9.843 13.575 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -5.905 11.051 13.686 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -6.053 8.956 14.333 1.00 0.00 O ATOM 1610 OXT GLU B 13 -8.007 8.424 12.337 1.00 0.00 O ATOM 0 H GLU B 13 -6.173 9.944 8.814 1.00 0.00 H new ATOM 0 HA GLU B 13 -6.175 7.892 10.772 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.393 9.630 10.348 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.458 10.833 11.049 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.481 8.362 12.523 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -3.702 9.929 12.611 1.00 0.00 H new