USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 401 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 29 THR OG1 : rot 117:sc= 0.823 USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0.196 K(o=1,f=-2.4) USER MOD Single : A 1 ARG N :NH3+ -166:sc= 1.33 (180deg=1.16) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.775 USER MOD Single : A 5 SER OG : rot -120:sc= 0 USER MOD Single : A 14 THR OG1 : rot -25:sc= 0.266 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 23 TYR OH : rot 175:sc= 1.21 USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1) USER MOD Single : A 25 MET CE :methyl -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -26:sc= 0.701 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 45 MET CE :methyl -178:sc= 0 (180deg=-0.00987) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.392 K(o=0.39,f=-2.3!) USER MOD Single : A 50 THR OG1 : rot 164:sc= 1.11 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0275) USER MOD Single : A 59 ASN : amide:sc= 1.82 K(o=1.8,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0658) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.909 3.522 0.238 1.00 0.00 N ATOM 2 CA ARG A 1 12.719 3.297 1.076 1.00 0.00 C ATOM 3 C ARG A 1 12.131 1.922 0.756 1.00 0.00 C ATOM 4 O ARG A 1 11.649 1.713 -0.355 1.00 0.00 O ATOM 5 CB ARG A 1 11.712 4.438 0.848 1.00 0.00 C ATOM 6 CG ARG A 1 10.282 4.226 1.371 1.00 0.00 C ATOM 7 CD ARG A 1 10.147 3.687 2.798 1.00 0.00 C ATOM 8 NE ARG A 1 11.212 4.138 3.698 1.00 0.00 N ATOM 9 CZ ARG A 1 11.256 5.298 4.366 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.371 6.273 4.129 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.201 5.457 5.298 1.00 0.00 N ATOM 0 H1 ARG A 1 14.446 4.333 0.608 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.510 2.673 0.253 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.613 3.719 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 1 12.983 3.303 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.112 5.339 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.655 4.630 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.754 5.178 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.771 3.538 0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.184 3.996 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.146 2.597 2.767 1.00 0.00 H new ATOM 0 HE ARG A 1 12.000 3.504 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.643 6.141 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.424 7.148 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.865 4.705 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.258 6.330 5.822 1.00 0.00 H new ATOM 27 N ILE A 2 12.219 0.970 1.688 1.00 0.00 N ATOM 28 CA ILE A 2 11.700 -0.376 1.480 1.00 0.00 C ATOM 29 C ILE A 2 10.198 -0.337 1.695 1.00 0.00 C ATOM 30 O ILE A 2 9.763 0.109 2.750 1.00 0.00 O ATOM 31 CB ILE A 2 12.310 -1.367 2.493 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.846 -1.372 2.490 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.778 -2.781 2.203 1.00 0.00 C ATOM 34 CD1 ILE A 2 14.429 -1.820 1.154 1.00 0.00 C ATOM 0 H ILE A 2 12.650 1.113 2.601 1.00 0.00 H new ATOM 0 HA ILE A 2 11.955 -0.705 0.472 1.00 0.00 H new ATOM 0 HB ILE A 2 12.006 -1.038 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.209 -0.371 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.205 -2.033 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.207 -3.485 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.692 -2.787 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.058 -3.075 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 2 15.518 -1.805 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.091 -2.832 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 2 14.096 -1.144 0.367 1.00 0.00 H new ATOM 46 N CYS A 3 9.400 -0.811 0.742 1.00 0.00 N ATOM 47 CA CYS A 3 7.957 -0.874 0.924 1.00 0.00 C ATOM 48 C CYS A 3 7.447 -2.144 0.282 1.00 0.00 C ATOM 49 O CYS A 3 8.140 -2.769 -0.518 1.00 0.00 O ATOM 50 CB CYS A 3 7.270 0.364 0.353 1.00 0.00 C ATOM 51 SG CYS A 3 7.456 1.794 1.431 1.00 0.00 S ATOM 0 H CYS A 3 9.729 -1.155 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 3 7.722 -0.890 1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.689 0.592 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.210 0.156 0.206 1.00 0.00 H new ATOM 56 N TYR A 4 6.242 -2.542 0.667 1.00 0.00 N ATOM 57 CA TYR A 4 5.609 -3.746 0.195 1.00 0.00 C ATOM 58 C TYR A 4 4.909 -3.455 -1.119 1.00 0.00 C ATOM 59 O TYR A 4 4.438 -2.337 -1.346 1.00 0.00 O ATOM 60 CB TYR A 4 4.634 -4.243 1.259 1.00 0.00 C ATOM 61 CG TYR A 4 5.311 -4.915 2.434 1.00 0.00 C ATOM 62 CD1 TYR A 4 5.592 -6.293 2.400 1.00 0.00 C ATOM 63 CD2 TYR A 4 5.679 -4.154 3.557 1.00 0.00 C ATOM 64 CE1 TYR A 4 6.190 -6.914 3.509 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.224 -4.786 4.685 1.00 0.00 C ATOM 66 CZ TYR A 4 6.469 -6.167 4.664 1.00 0.00 C ATOM 67 OH TYR A 4 6.814 -6.810 5.815 1.00 0.00 O ATOM 0 H TYR A 4 5.672 -2.018 1.331 1.00 0.00 H new ATOM 0 HA TYR A 4 6.346 -4.529 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.045 -3.401 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.937 -4.945 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.348 -6.873 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.542 -3.083 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.435 -7.965 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.455 -4.210 5.569 1.00 0.00 H new ATOM 0 HH TYR A 4 6.976 -6.151 6.522 1.00 0.00 H new ATOM 77 N SER A 5 4.874 -4.454 -1.997 1.00 0.00 N ATOM 78 CA SER A 5 4.240 -4.357 -3.301 1.00 0.00 C ATOM 79 C SER A 5 3.715 -5.732 -3.703 1.00 0.00 C ATOM 80 O SER A 5 4.322 -6.438 -4.503 1.00 0.00 O ATOM 81 CB SER A 5 5.233 -3.783 -4.313 1.00 0.00 C ATOM 82 OG SER A 5 5.493 -2.428 -3.991 1.00 0.00 O ATOM 0 H SER A 5 5.293 -5.366 -1.816 1.00 0.00 H new ATOM 0 HA SER A 5 3.389 -3.677 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.159 -4.357 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.827 -3.858 -5.322 1.00 0.00 H new ATOM 0 HG SER A 5 5.235 -1.857 -4.745 1.00 0.00 H new ATOM 215 N THR A 14 8.301 -7.182 -1.551 1.00 0.00 N ATOM 216 CA THR A 14 8.738 -5.825 -1.263 1.00 0.00 C ATOM 217 C THR A 14 9.631 -5.285 -2.376 1.00 0.00 C ATOM 218 O THR A 14 10.182 -6.059 -3.156 1.00 0.00 O ATOM 219 CB THR A 14 9.528 -5.823 0.056 1.00 0.00 C ATOM 220 OG1 THR A 14 10.526 -6.828 0.012 1.00 0.00 O ATOM 221 CG2 THR A 14 8.656 -6.099 1.279 1.00 0.00 C ATOM 0 HA THR A 14 7.857 -5.188 -1.186 1.00 0.00 H new ATOM 0 HB THR A 14 9.954 -4.825 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.257 -7.529 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.274 -6.084 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.885 -5.333 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.187 -7.078 1.178 1.00 0.00 H new ATOM 229 N LYS A 15 9.802 -3.961 -2.405 1.00 0.00 N ATOM 230 CA LYS A 15 10.673 -3.264 -3.338 1.00 0.00 C ATOM 231 C LYS A 15 11.327 -2.070 -2.638 1.00 0.00 C ATOM 232 O LYS A 15 10.765 -1.511 -1.693 1.00 0.00 O ATOM 233 CB LYS A 15 9.882 -2.821 -4.580 1.00 0.00 C ATOM 234 CG LYS A 15 8.875 -1.697 -4.295 1.00 0.00 C ATOM 235 CD LYS A 15 8.101 -1.350 -5.571 1.00 0.00 C ATOM 236 CE LYS A 15 7.281 -0.073 -5.362 1.00 0.00 C ATOM 237 NZ LYS A 15 6.379 0.175 -6.499 1.00 0.00 N ATOM 0 H LYS A 15 9.323 -3.333 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 15 11.460 -3.940 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.581 -2.486 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.350 -3.680 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.182 -2.008 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.397 -0.815 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.795 -1.213 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.441 -2.175 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.698 -0.158 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.952 0.776 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.837 1.046 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.938 0.280 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.723 -0.626 -6.603 1.00 0.00 H new ATOM 251 N THR A 16 12.506 -1.679 -3.124 1.00 0.00 N ATOM 252 CA THR A 16 13.280 -0.551 -2.629 1.00 0.00 C ATOM 253 C THR A 16 12.935 0.671 -3.479 1.00 0.00 C ATOM 254 O THR A 16 13.563 0.904 -4.509 1.00 0.00 O ATOM 255 CB THR A 16 14.775 -0.902 -2.711 1.00 0.00 C ATOM 256 OG1 THR A 16 14.988 -2.132 -2.048 1.00 0.00 O ATOM 257 CG2 THR A 16 15.647 0.172 -2.050 1.00 0.00 C ATOM 0 H THR A 16 12.960 -2.159 -3.901 1.00 0.00 H new ATOM 0 HA THR A 16 13.045 -0.328 -1.588 1.00 0.00 H new ATOM 0 HB THR A 16 15.054 -0.967 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.938 -2.368 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.696 -0.112 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.491 1.127 -2.552 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.374 0.266 -0.999 1.00 0.00 H new ATOM 265 N CYS A 17 11.927 1.444 -3.069 1.00 0.00 N ATOM 266 CA CYS A 17 11.531 2.638 -3.804 1.00 0.00 C ATOM 267 C CYS A 17 12.377 3.837 -3.369 1.00 0.00 C ATOM 268 O CYS A 17 13.144 3.757 -2.406 1.00 0.00 O ATOM 269 CB CYS A 17 10.050 2.936 -3.612 1.00 0.00 C ATOM 270 SG CYS A 17 9.300 3.800 -5.009 1.00 0.00 S ATOM 0 H CYS A 17 11.373 1.261 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 17 11.703 2.453 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.518 1.999 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.923 3.538 -2.712 1.00 0.00 H new ATOM 275 N VAL A 18 12.202 4.959 -4.067 1.00 0.00 N ATOM 276 CA VAL A 18 12.909 6.212 -3.842 1.00 0.00 C ATOM 277 C VAL A 18 12.087 7.129 -2.942 1.00 0.00 C ATOM 278 O VAL A 18 12.614 7.708 -1.995 1.00 0.00 O ATOM 279 CB VAL A 18 13.215 6.856 -5.207 1.00 0.00 C ATOM 280 CG1 VAL A 18 12.017 7.465 -5.950 1.00 0.00 C ATOM 281 CG2 VAL A 18 14.323 7.907 -5.077 1.00 0.00 C ATOM 0 H VAL A 18 11.535 5.018 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 18 13.852 6.030 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 18 13.538 6.017 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.353 7.888 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.275 6.690 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.571 8.250 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 18 14.522 8.348 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.006 8.686 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.230 7.435 -4.701 1.00 0.00 H new ATOM 291 N GLU A 19 10.792 7.252 -3.250 1.00 0.00 N ATOM 292 CA GLU A 19 9.883 8.123 -2.511 1.00 0.00 C ATOM 293 C GLU A 19 9.916 7.805 -1.027 1.00 0.00 C ATOM 294 O GLU A 19 10.062 6.654 -0.625 1.00 0.00 O ATOM 295 CB GLU A 19 8.418 7.972 -2.950 1.00 0.00 C ATOM 296 CG GLU A 19 8.210 8.198 -4.444 1.00 0.00 C ATOM 297 CD GLU A 19 8.697 9.564 -4.918 1.00 0.00 C ATOM 298 OE1 GLU A 19 8.407 10.550 -4.205 1.00 0.00 O ATOM 299 OE2 GLU A 19 9.349 9.596 -5.983 1.00 0.00 O ATOM 0 H GLU A 19 10.348 6.749 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 19 10.229 9.136 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.069 6.973 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.804 8.680 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.734 7.420 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.150 8.097 -4.676 1.00 0.00 H new ATOM 306 N ASN A 20 9.712 8.842 -0.222 1.00 0.00 N ATOM 307 CA ASN A 20 9.629 8.701 1.215 1.00 0.00 C ATOM 308 C ASN A 20 8.329 7.998 1.605 1.00 0.00 C ATOM 309 O ASN A 20 8.301 7.303 2.620 1.00 0.00 O ATOM 310 CB ASN A 20 9.703 10.093 1.853 1.00 0.00 C ATOM 311 CG ASN A 20 9.444 10.060 3.356 1.00 0.00 C ATOM 312 OD1 ASN A 20 8.407 10.522 3.818 1.00 0.00 O ATOM 313 ND2 ASN A 20 10.385 9.536 4.137 1.00 0.00 N ATOM 0 H ASN A 20 9.600 9.800 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 20 10.459 8.093 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.687 10.523 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.973 10.747 1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.253 9.512 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.238 9.159 3.725 1.00 0.00 H new ATOM 320 N THR A 21 7.273 8.151 0.800 1.00 0.00 N ATOM 321 CA THR A 21 5.948 7.659 1.123 1.00 0.00 C ATOM 322 C THR A 21 5.593 6.423 0.305 1.00 0.00 C ATOM 323 O THR A 21 6.104 6.234 -0.798 1.00 0.00 O ATOM 324 CB THR A 21 4.953 8.785 0.816 1.00 0.00 C ATOM 325 OG1 THR A 21 5.239 9.328 -0.460 1.00 0.00 O ATOM 326 CG2 THR A 21 5.029 9.906 1.856 1.00 0.00 C ATOM 0 H THR A 21 7.324 8.626 -0.101 1.00 0.00 H new ATOM 0 HA THR A 21 5.913 7.372 2.174 1.00 0.00 H new ATOM 0 HB THR A 21 3.950 8.360 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.603 10.047 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.309 10.685 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.798 9.504 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.034 10.329 1.863 1.00 0.00 H new ATOM 334 N CYS A 22 4.687 5.600 0.836 1.00 0.00 N ATOM 335 CA CYS A 22 4.134 4.425 0.191 1.00 0.00 C ATOM 336 C CYS A 22 2.703 4.286 0.679 1.00 0.00 C ATOM 337 O CYS A 22 2.260 5.048 1.543 1.00 0.00 O ATOM 338 CB CYS A 22 4.928 3.168 0.544 1.00 0.00 C ATOM 339 SG CYS A 22 6.705 3.316 0.270 1.00 0.00 S ATOM 0 H CYS A 22 4.306 5.748 1.771 1.00 0.00 H new ATOM 0 HA CYS A 22 4.179 4.538 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.752 2.923 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.549 2.334 -0.047 1.00 0.00 H new ATOM 344 N TYR A 23 1.987 3.307 0.132 1.00 0.00 N ATOM 345 CA TYR A 23 0.608 3.059 0.482 1.00 0.00 C ATOM 346 C TYR A 23 0.262 1.589 0.383 1.00 0.00 C ATOM 347 O TYR A 23 0.997 0.779 -0.198 1.00 0.00 O ATOM 348 CB TYR A 23 -0.315 3.828 -0.471 1.00 0.00 C ATOM 349 CG TYR A 23 -0.259 3.354 -1.917 1.00 0.00 C ATOM 350 CD1 TYR A 23 0.681 3.894 -2.812 1.00 0.00 C ATOM 351 CD2 TYR A 23 -1.160 2.372 -2.374 1.00 0.00 C ATOM 352 CE1 TYR A 23 0.614 3.572 -4.179 1.00 0.00 C ATOM 353 CE2 TYR A 23 -1.200 2.019 -3.733 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.339 2.651 -4.644 1.00 0.00 C ATOM 355 OH TYR A 23 -0.364 2.315 -5.964 1.00 0.00 O ATOM 0 H TYR A 23 2.357 2.665 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 23 0.470 3.389 1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.341 3.742 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.053 4.885 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.454 4.556 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.825 1.887 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.298 4.035 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.891 1.263 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.026 1.607 -6.109 1.00 0.00 H new ATOM 365 N LYS A 24 -0.916 1.319 0.941 1.00 0.00 N ATOM 366 CA LYS A 24 -1.646 0.080 0.802 1.00 0.00 C ATOM 367 C LYS A 24 -3.065 0.493 0.420 1.00 0.00 C ATOM 368 O LYS A 24 -3.618 1.425 1.007 1.00 0.00 O ATOM 369 CB LYS A 24 -1.589 -0.809 2.052 1.00 0.00 C ATOM 370 CG LYS A 24 -2.082 -0.132 3.336 1.00 0.00 C ATOM 371 CD LYS A 24 -2.597 -1.172 4.341 1.00 0.00 C ATOM 372 CE LYS A 24 -1.518 -2.157 4.797 1.00 0.00 C ATOM 373 NZ LYS A 24 -0.430 -1.480 5.520 1.00 0.00 N ATOM 0 H LYS A 24 -1.403 1.996 1.528 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.198 -0.555 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.187 -1.703 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.561 -1.138 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.271 0.442 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.878 0.574 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.001 -0.657 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.419 -1.727 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.966 -2.914 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.110 -2.676 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.247 -2.188 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.058 -0.823 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.824 -0.950 6.323 1.00 0.00 H new ATOM 387 N MET A 25 -3.614 -0.128 -0.620 1.00 0.00 N ATOM 388 CA MET A 25 -4.950 0.171 -1.107 1.00 0.00 C ATOM 389 C MET A 25 -5.902 -0.939 -0.682 1.00 0.00 C ATOM 390 O MET A 25 -5.615 -2.113 -0.914 1.00 0.00 O ATOM 391 CB MET A 25 -4.933 0.318 -2.622 1.00 0.00 C ATOM 392 CG MET A 25 -6.260 0.839 -3.192 1.00 0.00 C ATOM 393 SD MET A 25 -6.404 0.753 -4.997 1.00 0.00 S ATOM 394 CE MET A 25 -5.142 1.944 -5.501 1.00 0.00 C ATOM 0 H MET A 25 -3.138 -0.858 -1.150 1.00 0.00 H new ATOM 0 HA MET A 25 -5.293 1.113 -0.679 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.130 0.999 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.706 -0.648 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.077 0.269 -2.750 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.390 1.876 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.135 2.029 -6.588 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.364 2.917 -5.063 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.165 1.606 -5.157 1.00 0.00 H new ATOM 404 N PHE A 26 -7.040 -0.568 -0.098 1.00 0.00 N ATOM 405 CA PHE A 26 -8.105 -1.477 0.300 1.00 0.00 C ATOM 406 C PHE A 26 -9.433 -0.862 -0.132 1.00 0.00 C ATOM 407 O PHE A 26 -9.444 0.208 -0.742 1.00 0.00 O ATOM 408 CB PHE A 26 -8.029 -1.765 1.808 1.00 0.00 C ATOM 409 CG PHE A 26 -7.832 -0.569 2.728 1.00 0.00 C ATOM 410 CD1 PHE A 26 -8.738 0.511 2.735 1.00 0.00 C ATOM 411 CD2 PHE A 26 -6.829 -0.631 3.712 1.00 0.00 C ATOM 412 CE1 PHE A 26 -8.583 1.560 3.659 1.00 0.00 C ATOM 413 CE2 PHE A 26 -6.687 0.409 4.645 1.00 0.00 C ATOM 414 CZ PHE A 26 -7.534 1.525 4.594 1.00 0.00 C ATOM 0 H PHE A 26 -7.250 0.407 0.117 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.002 -2.446 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.947 -2.272 2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.210 -2.463 1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.554 0.533 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.165 -1.482 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.270 2.393 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.922 0.349 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.381 2.354 5.270 1.00 0.00 H new ATOM 424 N ILE A 27 -10.555 -1.517 0.172 1.00 0.00 N ATOM 425 CA ILE A 27 -11.870 -1.002 -0.183 1.00 0.00 C ATOM 426 C ILE A 27 -12.340 -0.146 0.991 1.00 0.00 C ATOM 427 O ILE A 27 -12.145 -0.522 2.146 1.00 0.00 O ATOM 428 CB ILE A 27 -12.826 -2.162 -0.509 1.00 0.00 C ATOM 429 CG1 ILE A 27 -12.228 -2.995 -1.656 1.00 0.00 C ATOM 430 CG2 ILE A 27 -14.204 -1.645 -0.944 1.00 0.00 C ATOM 431 CD1 ILE A 27 -13.041 -4.251 -1.971 1.00 0.00 C ATOM 0 H ILE A 27 -10.574 -2.409 0.666 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.840 -0.387 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.950 -2.766 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.164 -2.377 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.210 -3.284 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.856 -2.490 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.641 -1.052 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.096 -1.025 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.568 -4.795 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.083 -4.888 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.052 -3.966 -2.262 1.00 0.00 H new ATOM 443 N ARG A 28 -12.969 0.997 0.712 1.00 0.00 N ATOM 444 CA ARG A 28 -13.448 1.925 1.736 1.00 0.00 C ATOM 445 C ARG A 28 -14.313 1.226 2.792 1.00 0.00 C ATOM 446 O ARG A 28 -14.312 1.626 3.954 1.00 0.00 O ATOM 447 CB ARG A 28 -14.243 3.063 1.072 1.00 0.00 C ATOM 448 CG ARG A 28 -13.355 4.244 0.654 1.00 0.00 C ATOM 449 CD ARG A 28 -14.166 5.394 0.039 1.00 0.00 C ATOM 450 NE ARG A 28 -13.597 6.716 0.350 1.00 0.00 N ATOM 451 CZ ARG A 28 -12.601 7.336 -0.303 1.00 0.00 C ATOM 452 NH1 ARG A 28 -11.923 6.726 -1.277 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.270 8.585 0.034 1.00 0.00 N ATOM 0 H ARG A 28 -13.162 1.307 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.576 2.331 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.760 2.675 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.008 3.417 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.810 4.611 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.612 3.900 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.209 5.266 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.191 5.348 0.406 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.002 7.212 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.158 5.769 -1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.170 7.217 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.773 9.061 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.514 9.063 -0.457 1.00 0.00 H new ATOM 467 N THR A 29 -15.066 0.204 2.390 1.00 0.00 N ATOM 468 CA THR A 29 -15.935 -0.573 3.257 1.00 0.00 C ATOM 469 C THR A 29 -15.239 -1.823 3.813 1.00 0.00 C ATOM 470 O THR A 29 -15.762 -2.429 4.747 1.00 0.00 O ATOM 471 CB THR A 29 -17.169 -0.975 2.436 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.757 -1.520 1.196 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.051 0.244 2.149 1.00 0.00 C ATOM 0 H THR A 29 -15.085 -0.112 1.420 1.00 0.00 H new ATOM 0 HA THR A 29 -16.213 0.034 4.119 1.00 0.00 H new ATOM 0 HB THR A 29 -17.734 -1.708 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.038 -2.457 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.919 -0.064 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.383 0.683 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.480 0.982 1.586 1.00 0.00 H new ATOM 481 N HIS A 30 -14.095 -2.240 3.250 1.00 0.00 N ATOM 482 CA HIS A 30 -13.395 -3.461 3.645 1.00 0.00 C ATOM 483 C HIS A 30 -11.895 -3.175 3.726 1.00 0.00 C ATOM 484 O HIS A 30 -11.146 -3.380 2.771 1.00 0.00 O ATOM 485 CB HIS A 30 -13.718 -4.608 2.668 1.00 0.00 C ATOM 486 CG HIS A 30 -15.175 -4.671 2.282 1.00 0.00 C ATOM 487 ND1 HIS A 30 -16.197 -4.739 3.217 1.00 0.00 N ATOM 488 CD2 HIS A 30 -15.807 -4.543 1.069 1.00 0.00 C ATOM 489 CE1 HIS A 30 -17.356 -4.589 2.557 1.00 0.00 C ATOM 490 NE2 HIS A 30 -17.181 -4.407 1.247 1.00 0.00 N ATOM 0 H HIS A 30 -13.629 -1.730 2.500 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.733 -3.783 4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.116 -4.489 1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.428 -5.555 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.308 -4.547 0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.325 -4.613 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.890 -4.213 0.540 1.00 0.00 H new ATOM 498 N ARG A 31 -11.469 -2.699 4.898 1.00 0.00 N ATOM 499 CA ARG A 31 -10.086 -2.367 5.190 1.00 0.00 C ATOM 500 C ARG A 31 -9.227 -3.630 5.165 1.00 0.00 C ATOM 501 O ARG A 31 -8.134 -3.646 4.601 1.00 0.00 O ATOM 502 CB ARG A 31 -10.006 -1.676 6.562 1.00 0.00 C ATOM 503 CG ARG A 31 -11.027 -0.546 6.780 1.00 0.00 C ATOM 504 CD ARG A 31 -10.886 0.575 5.746 1.00 0.00 C ATOM 505 NE ARG A 31 -12.090 1.406 5.687 1.00 0.00 N ATOM 506 CZ ARG A 31 -12.415 2.414 6.502 1.00 0.00 C ATOM 507 NH1 ARG A 31 -11.629 2.753 7.529 1.00 0.00 N ATOM 508 NH2 ARG A 31 -13.553 3.070 6.259 1.00 0.00 N ATOM 0 H ARG A 31 -12.097 -2.532 5.685 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.705 -1.684 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.146 -2.427 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.003 -1.269 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.035 -0.957 6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.899 -0.132 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.026 1.196 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.692 0.143 4.764 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.753 1.192 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.765 2.239 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.894 3.525 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.142 2.796 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.833 3.845 6.860 1.00 0.00 H new ATOM 522 N GLU A 32 -9.747 -4.707 5.757 1.00 0.00 N ATOM 523 CA GLU A 32 -9.082 -5.995 5.881 1.00 0.00 C ATOM 524 C GLU A 32 -9.117 -6.783 4.565 1.00 0.00 C ATOM 525 O GLU A 32 -9.486 -7.955 4.542 1.00 0.00 O ATOM 526 CB GLU A 32 -9.752 -6.768 7.022 1.00 0.00 C ATOM 527 CG GLU A 32 -9.628 -6.012 8.351 1.00 0.00 C ATOM 528 CD GLU A 32 -10.222 -6.818 9.500 1.00 0.00 C ATOM 529 OE1 GLU A 32 -11.447 -6.682 9.711 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.445 -7.560 10.137 1.00 0.00 O ATOM 0 H GLU A 32 -10.677 -4.701 6.177 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.027 -5.842 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.805 -6.927 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.294 -7.752 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.578 -5.801 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.138 -5.052 8.275 1.00 0.00 H new ATOM 537 N TYR A 33 -8.724 -6.134 3.471 1.00 0.00 N ATOM 538 CA TYR A 33 -8.622 -6.711 2.146 1.00 0.00 C ATOM 539 C TYR A 33 -7.693 -5.817 1.333 1.00 0.00 C ATOM 540 O TYR A 33 -8.095 -4.748 0.872 1.00 0.00 O ATOM 541 CB TYR A 33 -9.998 -6.827 1.481 1.00 0.00 C ATOM 542 CG TYR A 33 -9.888 -7.350 0.061 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.405 -8.653 -0.160 1.00 0.00 C ATOM 544 CD2 TYR A 33 -10.003 -6.460 -1.024 1.00 0.00 C ATOM 545 CE1 TYR A 33 -9.001 -9.048 -1.447 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.611 -6.859 -2.313 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.086 -8.146 -2.519 1.00 0.00 C ATOM 548 OH TYR A 33 -8.660 -8.526 -3.756 1.00 0.00 O ATOM 0 H TYR A 33 -8.458 -5.150 3.492 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.223 -7.723 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.631 -7.493 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.483 -5.851 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.345 -9.351 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.394 -5.466 -0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.625 -10.047 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.713 -6.177 -3.144 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.788 -7.787 -4.387 1.00 0.00 H new ATOM 558 N ILE A 34 -6.444 -6.246 1.150 1.00 0.00 N ATOM 559 CA ILE A 34 -5.479 -5.451 0.414 1.00 0.00 C ATOM 560 C ILE A 34 -5.753 -5.643 -1.077 1.00 0.00 C ATOM 561 O ILE A 34 -5.484 -6.702 -1.644 1.00 0.00 O ATOM 562 CB ILE A 34 -4.041 -5.834 0.795 1.00 0.00 C ATOM 563 CG1 ILE A 34 -3.811 -5.861 2.319 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.096 -4.822 0.134 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.152 -4.550 3.034 1.00 0.00 C ATOM 0 H ILE A 34 -6.085 -7.134 1.501 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.584 -4.396 0.666 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.847 -6.847 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.411 -6.663 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.766 -6.105 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.065 -5.068 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.223 -4.858 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.328 -3.819 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.961 -4.657 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.534 -3.746 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.204 -4.312 2.876 1.00 0.00 H new ATOM 577 N SER A 35 -6.303 -4.599 -1.689 1.00 0.00 N ATOM 578 CA SER A 35 -6.659 -4.514 -3.091 1.00 0.00 C ATOM 579 C SER A 35 -5.427 -4.224 -3.939 1.00 0.00 C ATOM 580 O SER A 35 -5.294 -4.759 -5.036 1.00 0.00 O ATOM 581 CB SER A 35 -7.656 -3.370 -3.250 1.00 0.00 C ATOM 582 OG SER A 35 -8.835 -3.654 -2.522 1.00 0.00 O ATOM 0 H SER A 35 -6.523 -3.741 -1.184 1.00 0.00 H new ATOM 0 HA SER A 35 -7.089 -5.460 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.214 -2.439 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.894 -3.228 -4.304 1.00 0.00 H new ATOM 0 HG SER A 35 -8.937 -4.624 -2.430 1.00 0.00 H new ATOM 588 N GLU A 36 -4.557 -3.342 -3.445 1.00 0.00 N ATOM 589 CA GLU A 36 -3.312 -2.963 -4.104 1.00 0.00 C ATOM 590 C GLU A 36 -2.324 -2.484 -3.034 1.00 0.00 C ATOM 591 O GLU A 36 -2.655 -2.438 -1.852 1.00 0.00 O ATOM 592 CB GLU A 36 -3.584 -1.847 -5.133 1.00 0.00 C ATOM 593 CG GLU A 36 -2.734 -1.949 -6.406 1.00 0.00 C ATOM 594 CD GLU A 36 -2.757 -0.627 -7.169 1.00 0.00 C ATOM 595 OE1 GLU A 36 -2.102 0.320 -6.677 1.00 0.00 O ATOM 596 OE2 GLU A 36 -3.440 -0.579 -8.214 1.00 0.00 O ATOM 0 H GLU A 36 -4.704 -2.863 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.888 -3.816 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.638 -1.872 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.400 -0.881 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.708 -2.208 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.114 -2.749 -7.041 1.00 0.00 H new ATOM 603 N ARG A 37 -1.125 -2.092 -3.453 1.00 0.00 N ATOM 604 CA ARG A 37 -0.082 -1.486 -2.647 1.00 0.00 C ATOM 605 C ARG A 37 0.791 -0.718 -3.617 1.00 0.00 C ATOM 606 O ARG A 37 0.740 -0.983 -4.819 1.00 0.00 O ATOM 607 CB ARG A 37 0.806 -2.514 -1.933 1.00 0.00 C ATOM 608 CG ARG A 37 0.398 -2.880 -0.509 1.00 0.00 C ATOM 609 CD ARG A 37 1.533 -3.672 0.136 1.00 0.00 C ATOM 610 NE ARG A 37 1.155 -4.247 1.433 1.00 0.00 N ATOM 611 CZ ARG A 37 0.557 -5.437 1.580 1.00 0.00 C ATOM 612 NH1 ARG A 37 0.114 -6.109 0.512 1.00 0.00 N ATOM 613 NH2 ARG A 37 0.420 -5.988 2.788 1.00 0.00 N ATOM 0 H ARG A 37 -0.842 -2.198 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.544 -0.872 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.823 -3.426 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.826 -2.129 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.190 -1.979 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.518 -3.471 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.840 -4.473 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.396 -3.020 0.270 1.00 0.00 H new ATOM 0 HE ARG A 37 1.360 -3.707 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.230 -5.716 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.340 -7.014 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.773 -5.503 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.037 -6.894 2.886 1.00 0.00 H new ATOM 627 N GLY A 38 1.591 0.215 -3.107 1.00 0.00 N ATOM 628 CA GLY A 38 2.519 0.896 -3.991 1.00 0.00 C ATOM 629 C GLY A 38 3.336 1.957 -3.282 1.00 0.00 C ATOM 630 O GLY A 38 3.247 2.119 -2.068 1.00 0.00 O ATOM 0 H GLY A 38 1.615 0.505 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.192 0.164 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.963 1.357 -4.807 1.00 0.00 H new ATOM 634 N CYS A 39 4.132 2.671 -4.075 1.00 0.00 N ATOM 635 CA CYS A 39 5.062 3.706 -3.656 1.00 0.00 C ATOM 636 C CYS A 39 4.529 5.088 -4.041 1.00 0.00 C ATOM 637 O CYS A 39 3.763 5.200 -4.993 1.00 0.00 O ATOM 638 CB CYS A 39 6.391 3.417 -4.344 1.00 0.00 C ATOM 639 SG CYS A 39 7.637 4.697 -4.163 1.00 0.00 S ATOM 0 H CYS A 39 4.142 2.531 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 39 5.189 3.705 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.791 2.483 -3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.206 3.260 -5.407 1.00 0.00 H new ATOM 644 N GLY A 40 4.917 6.127 -3.294 1.00 0.00 N ATOM 645 CA GLY A 40 4.520 7.510 -3.509 1.00 0.00 C ATOM 646 C GLY A 40 3.015 7.692 -3.488 1.00 0.00 C ATOM 647 O GLY A 40 2.340 7.903 -4.491 1.00 0.00 O ATOM 0 H GLY A 40 5.540 6.016 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.969 8.137 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.911 7.852 -4.467 1.00 0.00 H new ATOM 651 N CYS A 41 2.561 7.619 -2.255 1.00 0.00 N ATOM 652 CA CYS A 41 1.190 7.731 -1.760 1.00 0.00 C ATOM 653 C CYS A 41 0.276 8.607 -2.640 1.00 0.00 C ATOM 654 O CYS A 41 0.383 9.832 -2.587 1.00 0.00 O ATOM 655 CB CYS A 41 1.218 8.306 -0.342 1.00 0.00 C ATOM 656 SG CYS A 41 -0.396 8.905 0.219 1.00 0.00 S ATOM 0 H CYS A 41 3.210 7.462 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 41 0.769 6.726 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.573 7.539 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.936 9.126 -0.304 1.00 0.00 H new ATOM 661 N PRO A 42 -0.629 8.001 -3.430 1.00 0.00 N ATOM 662 CA PRO A 42 -1.616 8.699 -4.228 1.00 0.00 C ATOM 663 C PRO A 42 -2.997 8.608 -3.577 1.00 0.00 C ATOM 664 O PRO A 42 -3.240 7.811 -2.667 1.00 0.00 O ATOM 665 CB PRO A 42 -1.639 7.962 -5.562 1.00 0.00 C ATOM 666 CG PRO A 42 -1.427 6.508 -5.127 1.00 0.00 C ATOM 667 CD PRO A 42 -0.591 6.610 -3.845 1.00 0.00 C ATOM 0 HA PRO A 42 -1.372 9.756 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.585 8.097 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.851 8.306 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.377 6.006 -4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.908 5.935 -5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.996 5.963 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.435 6.288 -4.025 1.00 0.00 H new ATOM 675 N THR A 43 -3.921 9.410 -4.096 1.00 0.00 N ATOM 676 CA THR A 43 -5.310 9.427 -3.666 1.00 0.00 C ATOM 677 C THR A 43 -6.044 8.247 -4.316 1.00 0.00 C ATOM 678 O THR A 43 -5.625 7.761 -5.367 1.00 0.00 O ATOM 679 CB THR A 43 -5.949 10.760 -4.091 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.987 11.796 -4.010 1.00 0.00 O ATOM 681 CG2 THR A 43 -7.140 11.129 -3.200 1.00 0.00 C ATOM 0 H THR A 43 -3.719 10.077 -4.840 1.00 0.00 H new ATOM 0 HA THR A 43 -5.377 9.334 -2.582 1.00 0.00 H new ATOM 0 HB THR A 43 -6.304 10.642 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.396 12.644 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.563 12.077 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.899 10.349 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.806 11.224 -2.167 1.00 0.00 H new ATOM 689 N ALA A 44 -7.150 7.803 -3.717 1.00 0.00 N ATOM 690 CA ALA A 44 -7.988 6.735 -4.239 1.00 0.00 C ATOM 691 C ALA A 44 -9.435 7.072 -3.897 1.00 0.00 C ATOM 692 O ALA A 44 -9.706 7.594 -2.815 1.00 0.00 O ATOM 693 CB ALA A 44 -7.571 5.393 -3.641 1.00 0.00 C ATOM 0 H ALA A 44 -7.491 8.188 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.877 6.650 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.207 4.603 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.532 5.187 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.676 5.429 -2.557 1.00 0.00 H new ATOM 699 N MET A 45 -10.346 6.817 -4.837 1.00 0.00 N ATOM 700 CA MET A 45 -11.759 7.100 -4.720 1.00 0.00 C ATOM 701 C MET A 45 -12.546 5.797 -4.599 1.00 0.00 C ATOM 702 O MET A 45 -12.060 4.727 -4.976 1.00 0.00 O ATOM 703 CB MET A 45 -12.186 7.873 -5.972 1.00 0.00 C ATOM 704 CG MET A 45 -11.490 9.238 -6.084 1.00 0.00 C ATOM 705 SD MET A 45 -11.696 10.381 -4.690 1.00 0.00 S ATOM 706 CE MET A 45 -13.464 10.730 -4.809 1.00 0.00 C ATOM 0 H MET A 45 -10.101 6.391 -5.731 1.00 0.00 H new ATOM 0 HA MET A 45 -11.959 7.693 -3.828 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.959 7.279 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.266 8.019 -5.954 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.423 9.064 -6.226 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.855 9.732 -6.985 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.745 11.449 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.688 11.144 -5.792 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.027 9.808 -4.667 1.00 0.00 H new ATOM 716 N TRP A 46 -13.774 5.911 -4.084 1.00 0.00 N ATOM 717 CA TRP A 46 -14.697 4.799 -3.926 1.00 0.00 C ATOM 718 C TRP A 46 -14.741 3.994 -5.236 1.00 0.00 C ATOM 719 O TRP A 46 -14.819 4.599 -6.305 1.00 0.00 O ATOM 720 CB TRP A 46 -16.073 5.351 -3.555 1.00 0.00 C ATOM 721 CG TRP A 46 -17.092 4.396 -3.053 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.953 3.622 -1.971 1.00 0.00 C ATOM 723 CD2 TRP A 46 -18.416 4.121 -3.568 1.00 0.00 C ATOM 724 NE1 TRP A 46 -18.044 2.787 -1.835 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.999 3.077 -2.794 1.00 0.00 C ATOM 726 CE3 TRP A 46 -19.178 4.667 -4.613 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -20.278 2.573 -3.075 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.463 4.173 -4.905 1.00 0.00 C ATOM 729 CH2 TRP A 46 -21.009 3.122 -4.143 1.00 0.00 C ATOM 0 H TRP A 46 -14.156 6.800 -3.761 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.371 4.130 -3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.931 6.119 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.483 5.846 -4.435 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -16.108 3.647 -1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -18.134 2.058 -1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.773 5.477 -5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.695 1.775 -2.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -21.033 4.601 -5.716 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.990 2.737 -4.379 1.00 0.00 H new ATOM 740 N PRO A 47 -14.685 2.654 -5.197 1.00 0.00 N ATOM 741 CA PRO A 47 -14.742 1.800 -4.017 1.00 0.00 C ATOM 742 C PRO A 47 -13.442 1.736 -3.204 1.00 0.00 C ATOM 743 O PRO A 47 -13.476 1.277 -2.063 1.00 0.00 O ATOM 744 CB PRO A 47 -15.108 0.421 -4.571 1.00 0.00 C ATOM 745 CG PRO A 47 -14.435 0.409 -5.941 1.00 0.00 C ATOM 746 CD PRO A 47 -14.645 1.849 -6.407 1.00 0.00 C ATOM 0 HA PRO A 47 -15.463 2.197 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.738 -0.381 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.187 0.292 -4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.378 0.151 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.897 -0.311 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.836 2.170 -7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.572 1.946 -6.972 1.00 0.00 H new ATOM 754 N TYR A 48 -12.311 2.204 -3.736 1.00 0.00 N ATOM 755 CA TYR A 48 -11.023 2.053 -3.071 1.00 0.00 C ATOM 756 C TYR A 48 -10.686 3.196 -2.130 1.00 0.00 C ATOM 757 O TYR A 48 -11.279 4.269 -2.190 1.00 0.00 O ATOM 758 CB TYR A 48 -9.914 1.952 -4.123 1.00 0.00 C ATOM 759 CG TYR A 48 -10.034 0.708 -4.981 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.947 -0.566 -4.387 1.00 0.00 C ATOM 761 CD2 TYR A 48 -10.387 0.821 -6.339 1.00 0.00 C ATOM 762 CE1 TYR A 48 -10.245 -1.716 -5.137 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.652 -0.333 -7.096 1.00 0.00 C ATOM 764 CZ TYR A 48 -10.588 -1.599 -6.494 1.00 0.00 C ATOM 765 OH TYR A 48 -10.881 -2.710 -7.226 1.00 0.00 O ATOM 0 H TYR A 48 -12.265 2.693 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.094 1.146 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.944 2.834 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.945 1.953 -3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.651 -0.659 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.454 1.796 -6.800 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.210 -2.689 -4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.905 -0.245 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.098 -2.448 -8.145 1.00 0.00 H new ATOM 775 N GLN A 49 -9.704 2.940 -1.265 1.00 0.00 N ATOM 776 CA GLN A 49 -9.095 3.900 -0.371 1.00 0.00 C ATOM 777 C GLN A 49 -7.636 3.474 -0.208 1.00 0.00 C ATOM 778 O GLN A 49 -7.355 2.283 -0.081 1.00 0.00 O ATOM 779 CB GLN A 49 -9.771 3.912 1.006 1.00 0.00 C ATOM 780 CG GLN A 49 -9.925 5.328 1.574 1.00 0.00 C ATOM 781 CD GLN A 49 -8.586 6.053 1.605 1.00 0.00 C ATOM 782 OE1 GLN A 49 -8.236 6.756 0.663 1.00 0.00 O ATOM 783 NE2 GLN A 49 -7.783 5.819 2.636 1.00 0.00 N ATOM 0 H GLN A 49 -9.298 2.009 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.194 4.903 -0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.754 3.447 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.186 3.308 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.634 5.892 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.338 5.277 2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.100 5.230 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.849 6.228 2.658 1.00 0.00 H new ATOM 792 N THR A 50 -6.727 4.442 -0.212 1.00 0.00 N ATOM 793 CA THR A 50 -5.307 4.257 0.021 1.00 0.00 C ATOM 794 C THR A 50 -4.959 4.732 1.429 1.00 0.00 C ATOM 795 O THR A 50 -5.169 5.900 1.756 1.00 0.00 O ATOM 796 CB THR A 50 -4.482 5.042 -1.011 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.175 6.189 -1.466 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.167 4.148 -2.207 1.00 0.00 C ATOM 0 H THR A 50 -6.974 5.416 -0.385 1.00 0.00 H new ATOM 0 HA THR A 50 -5.068 3.198 -0.080 1.00 0.00 H new ATOM 0 HB THR A 50 -3.561 5.363 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.547 6.795 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.582 4.709 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.597 3.281 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.097 3.815 -2.667 1.00 0.00 H new ATOM 806 N GLU A 51 -4.443 3.838 2.277 1.00 0.00 N ATOM 807 CA GLU A 51 -3.930 4.243 3.578 1.00 0.00 C ATOM 808 C GLU A 51 -2.434 4.362 3.287 1.00 0.00 C ATOM 809 O GLU A 51 -1.849 3.458 2.682 1.00 0.00 O ATOM 810 CB GLU A 51 -4.293 3.252 4.702 1.00 0.00 C ATOM 811 CG GLU A 51 -3.098 2.671 5.474 1.00 0.00 C ATOM 812 CD GLU A 51 -3.504 1.765 6.634 1.00 0.00 C ATOM 813 OE1 GLU A 51 -4.679 1.844 7.052 1.00 0.00 O ATOM 814 OE2 GLU A 51 -2.620 1.006 7.087 1.00 0.00 O ATOM 0 H GLU A 51 -4.372 2.839 2.084 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.358 5.167 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.952 3.755 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.860 2.428 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.470 2.106 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.491 3.491 5.859 1.00 0.00 H new ATOM 821 N CYS A 52 -1.838 5.497 3.649 1.00 0.00 N ATOM 822 CA CYS A 52 -0.466 5.823 3.325 1.00 0.00 C ATOM 823 C CYS A 52 0.419 5.859 4.558 1.00 0.00 C ATOM 824 O CYS A 52 -0.072 5.997 5.677 1.00 0.00 O ATOM 825 CB CYS A 52 -0.461 7.183 2.652 1.00 0.00 C ATOM 826 SG CYS A 52 -1.237 7.201 1.025 1.00 0.00 S ATOM 0 H CYS A 52 -2.311 6.224 4.186 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.064 5.052 2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.975 7.897 3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.569 7.525 2.555 1.00 0.00 H new ATOM 831 N CYS A 53 1.731 5.739 4.343 1.00 0.00 N ATOM 832 CA CYS A 53 2.727 5.774 5.405 1.00 0.00 C ATOM 833 C CYS A 53 4.089 6.087 4.798 1.00 0.00 C ATOM 834 O CYS A 53 4.257 5.999 3.583 1.00 0.00 O ATOM 835 CB CYS A 53 2.757 4.444 6.164 1.00 0.00 C ATOM 836 SG CYS A 53 3.208 3.008 5.164 1.00 0.00 S ATOM 0 H CYS A 53 2.132 5.613 3.413 1.00 0.00 H new ATOM 0 HA CYS A 53 2.467 6.553 6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.463 4.530 6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.774 4.270 6.602 1.00 0.00 H new ATOM 841 N LYS A 54 5.051 6.471 5.642 1.00 0.00 N ATOM 842 CA LYS A 54 6.401 6.807 5.250 1.00 0.00 C ATOM 843 C LYS A 54 7.384 6.173 6.233 1.00 0.00 C ATOM 844 O LYS A 54 7.665 6.735 7.289 1.00 0.00 O ATOM 845 CB LYS A 54 6.558 8.332 5.210 1.00 0.00 C ATOM 846 CG LYS A 54 5.758 9.106 6.269 1.00 0.00 C ATOM 847 CD LYS A 54 6.137 10.592 6.201 1.00 0.00 C ATOM 848 CE LYS A 54 5.428 11.419 7.279 1.00 0.00 C ATOM 849 NZ LYS A 54 3.965 11.421 7.105 1.00 0.00 N ATOM 0 H LYS A 54 4.895 6.556 6.646 1.00 0.00 H new ATOM 0 HA LYS A 54 6.612 6.418 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.614 8.575 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.258 8.685 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.689 8.983 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.968 8.710 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.216 10.696 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.882 10.986 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.675 11.019 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.797 12.444 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.535 12.072 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.731 11.731 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.596 10.461 7.260 1.00 0.00 H new ATOM 863 N GLY A 55 7.899 4.993 5.897 1.00 0.00 N ATOM 864 CA GLY A 55 8.874 4.293 6.707 1.00 0.00 C ATOM 865 C GLY A 55 9.219 2.977 6.033 1.00 0.00 C ATOM 866 O GLY A 55 8.419 2.428 5.271 1.00 0.00 O ATOM 0 H GLY A 55 7.644 4.496 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.770 4.901 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.475 4.112 7.705 1.00 0.00 H new ATOM 870 N ASP A 56 10.419 2.475 6.308 1.00 0.00 N ATOM 871 CA ASP A 56 10.872 1.222 5.743 1.00 0.00 C ATOM 872 C ASP A 56 9.941 0.125 6.251 1.00 0.00 C ATOM 873 O ASP A 56 9.667 0.044 7.446 1.00 0.00 O ATOM 874 CB ASP A 56 12.345 1.013 6.093 1.00 0.00 C ATOM 875 CG ASP A 56 13.186 2.009 5.303 1.00 0.00 C ATOM 876 OD1 ASP A 56 13.380 1.754 4.093 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.535 3.060 5.883 1.00 0.00 O ATOM 0 H ASP A 56 11.095 2.926 6.924 1.00 0.00 H new ATOM 0 HA ASP A 56 10.826 1.210 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.502 1.152 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.648 -0.007 5.857 1.00 0.00 H new ATOM 882 N ARG A 57 9.412 -0.676 5.325 1.00 0.00 N ATOM 883 CA ARG A 57 8.434 -1.705 5.545 1.00 0.00 C ATOM 884 C ARG A 57 7.198 -1.193 6.307 1.00 0.00 C ATOM 885 O ARG A 57 6.558 -1.971 7.011 1.00 0.00 O ATOM 886 CB ARG A 57 9.130 -2.871 6.240 1.00 0.00 C ATOM 887 CG ARG A 57 10.391 -3.351 5.511 1.00 0.00 C ATOM 888 CD ARG A 57 10.941 -4.646 6.119 1.00 0.00 C ATOM 889 NE ARG A 57 10.009 -5.770 5.945 1.00 0.00 N ATOM 890 CZ ARG A 57 10.280 -7.039 6.287 1.00 0.00 C ATOM 891 NH1 ARG A 57 11.469 -7.358 6.809 1.00 0.00 N ATOM 892 NH2 ARG A 57 9.353 -7.985 6.106 1.00 0.00 N ATOM 0 H ARG A 57 9.682 -0.607 4.344 1.00 0.00 H new ATOM 0 HA ARG A 57 8.034 -2.046 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.397 -2.573 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.431 -3.703 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.163 -3.512 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.155 -2.575 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.895 -4.890 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.135 -4.495 7.181 1.00 0.00 H new ATOM 0 HE ARG A 57 9.095 -5.572 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.175 -6.635 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.670 -8.324 7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.445 -7.741 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.553 -8.951 6.364 1.00 0.00 H new ATOM 906 N CYS A 58 6.820 0.086 6.151 1.00 0.00 N ATOM 907 CA CYS A 58 5.675 0.638 6.867 1.00 0.00 C ATOM 908 C CYS A 58 4.342 0.094 6.350 1.00 0.00 C ATOM 909 O CYS A 58 3.464 -0.222 7.150 1.00 0.00 O ATOM 910 CB CYS A 58 5.686 2.169 6.799 1.00 0.00 C ATOM 911 SG CYS A 58 5.288 2.929 5.200 1.00 0.00 S ATOM 0 H CYS A 58 7.293 0.749 5.537 1.00 0.00 H new ATOM 0 HA CYS A 58 5.769 0.323 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.978 2.545 7.538 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.675 2.514 7.100 1.00 0.00 H new ATOM 916 N ASN A 59 4.167 -0.037 5.031 1.00 0.00 N ATOM 917 CA ASN A 59 2.910 -0.484 4.426 1.00 0.00 C ATOM 918 C ASN A 59 2.799 -2.015 4.479 1.00 0.00 C ATOM 919 O ASN A 59 2.522 -2.660 3.470 1.00 0.00 O ATOM 920 CB ASN A 59 2.795 0.066 2.989 1.00 0.00 C ATOM 921 CG ASN A 59 3.840 -0.514 2.041 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.914 -0.917 2.477 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.543 -0.547 0.744 1.00 0.00 N ATOM 0 H ASN A 59 4.899 0.166 4.350 1.00 0.00 H new ATOM 0 HA ASN A 59 2.070 -0.088 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.800 -0.153 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.897 1.151 3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.219 -0.916 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.640 -0.203 0.419 1.00 0.00 H new ATOM 930 N LYS A 60 3.016 -2.572 5.672 1.00 0.00 N ATOM 931 CA LYS A 60 3.000 -3.998 5.951 1.00 0.00 C ATOM 932 C LYS A 60 1.636 -4.624 5.667 1.00 0.00 C ATOM 933 O LYS A 60 0.618 -3.974 5.979 1.00 0.00 O ATOM 934 CB LYS A 60 3.443 -4.235 7.404 1.00 0.00 C ATOM 935 CG LYS A 60 2.523 -3.566 8.437 1.00 0.00 C ATOM 936 CD LYS A 60 3.041 -3.824 9.857 1.00 0.00 C ATOM 937 CE LYS A 60 2.221 -3.056 10.902 1.00 0.00 C ATOM 938 NZ LYS A 60 0.800 -3.449 10.889 1.00 0.00 N ATOM 939 OXT LYS A 60 1.639 -5.765 5.150 1.00 0.00 O ATOM 0 H LYS A 60 3.216 -2.013 6.501 1.00 0.00 H new ATOM 0 HA LYS A 60 3.703 -4.492 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.475 -5.307 7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.458 -3.858 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.474 -2.493 8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.509 -3.954 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.999 -4.892 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.087 -3.526 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.638 -3.236 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.303 -1.986 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.307 -2.996 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.364 -3.146 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.725 -4.482 10.978 1.00 0.00 H new