USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=16 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 49 GLN : amide:sc= 0.687! C(o=2!,f=-7!) USER MOD Set 1.2: A 50 THR OG1 : rot 161:sc= 1.32 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0.0794 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0 X(o=0.079,f=0.2) USER MOD Set 3.1: A 5 SER OG : rot -90:sc= 0.921 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 148:sc= 1.08 (180deg=-0.0442) USER MOD Single : A 1 ARG N :NH3+ -131:sc= 2.57 (180deg=0.416) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.719 USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.161 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 20 ASN : amide:sc= 0.838 K(o=0.84,f=-3.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 0.993 (180deg=0.748) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -174:sc= 0.105 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0479) USER MOD Single : A 59 ASN : amide:sc= 1.74 K(o=1.7,f=-7.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.910 4.667 -0.385 1.00 0.00 N ATOM 2 CA ARG A 1 11.752 3.685 0.697 1.00 0.00 C ATOM 3 C ARG A 1 11.320 2.331 0.125 1.00 0.00 C ATOM 4 O ARG A 1 10.895 2.263 -1.029 1.00 0.00 O ATOM 5 CB ARG A 1 10.718 4.213 1.706 1.00 0.00 C ATOM 6 CG ARG A 1 10.671 3.519 3.073 1.00 0.00 C ATOM 7 CD ARG A 1 12.001 3.626 3.832 1.00 0.00 C ATOM 8 NE ARG A 1 12.375 5.028 4.049 1.00 0.00 N ATOM 9 CZ ARG A 1 13.533 5.443 4.580 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.503 4.570 4.874 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.702 6.744 4.825 1.00 0.00 N ATOM 0 H1 ARG A 1 12.825 5.151 -0.284 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.876 4.180 -1.303 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.141 5.366 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 1 12.704 3.541 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.913 5.273 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.730 4.137 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.877 3.961 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.419 2.468 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.917 3.116 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.786 3.120 3.270 1.00 0.00 H new ATOM 0 HE ARG A 1 11.701 5.742 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.366 3.575 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.380 4.899 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.956 7.405 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.577 7.077 5.229 1.00 0.00 H new ATOM 27 N ILE A 2 11.466 1.260 0.910 1.00 0.00 N ATOM 28 CA ILE A 2 11.014 -0.075 0.541 1.00 0.00 C ATOM 29 C ILE A 2 9.515 -0.101 0.804 1.00 0.00 C ATOM 30 O ILE A 2 9.111 0.246 1.913 1.00 0.00 O ATOM 31 CB ILE A 2 11.716 -1.138 1.413 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.231 -1.192 1.153 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.091 -2.524 1.182 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.589 -1.897 -0.156 1.00 0.00 C ATOM 0 H ILE A 2 11.907 1.301 1.829 1.00 0.00 H new ATOM 0 HA ILE A 2 11.245 -0.296 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 2 11.570 -0.846 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.627 -0.177 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.718 -1.707 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.599 -3.260 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.033 -2.494 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.197 -2.801 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.672 -1.902 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.222 -2.923 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.129 -1.369 -0.991 1.00 0.00 H new ATOM 46 N CYS A 3 8.703 -0.509 -0.172 1.00 0.00 N ATOM 47 CA CYS A 3 7.257 -0.588 -0.010 1.00 0.00 C ATOM 48 C CYS A 3 6.764 -1.898 -0.600 1.00 0.00 C ATOM 49 O CYS A 3 7.322 -2.400 -1.578 1.00 0.00 O ATOM 50 CB CYS A 3 6.548 0.567 -0.724 1.00 0.00 C ATOM 51 SG CYS A 3 7.033 2.241 -0.230 1.00 0.00 S ATOM 0 H CYS A 3 9.032 -0.793 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 3 7.031 -0.528 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.721 0.464 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.475 0.461 -0.563 1.00 0.00 H new ATOM 56 N TYR A 4 5.717 -2.455 0.003 1.00 0.00 N ATOM 57 CA TYR A 4 5.071 -3.652 -0.492 1.00 0.00 C ATOM 58 C TYR A 4 4.071 -3.209 -1.558 1.00 0.00 C ATOM 59 O TYR A 4 3.624 -2.060 -1.533 1.00 0.00 O ATOM 60 CB TYR A 4 4.372 -4.372 0.665 1.00 0.00 C ATOM 61 CG TYR A 4 5.234 -5.149 1.648 1.00 0.00 C ATOM 62 CD1 TYR A 4 6.644 -5.125 1.613 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.585 -5.992 2.566 1.00 0.00 C ATOM 64 CE1 TYR A 4 7.385 -6.002 2.427 1.00 0.00 C ATOM 65 CE2 TYR A 4 5.325 -6.840 3.407 1.00 0.00 C ATOM 66 CZ TYR A 4 6.725 -6.862 3.321 1.00 0.00 C ATOM 67 OH TYR A 4 7.441 -7.712 4.113 1.00 0.00 O ATOM 0 H TYR A 4 5.296 -2.081 0.853 1.00 0.00 H new ATOM 0 HA TYR A 4 5.789 -4.350 -0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.809 -3.629 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.646 -5.064 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.156 -4.433 0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.507 -5.988 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.463 -6.014 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.817 -7.474 4.119 1.00 0.00 H new ATOM 0 HH TYR A 4 6.827 -8.234 4.671 1.00 0.00 H new ATOM 77 N SER A 5 3.741 -4.098 -2.498 1.00 0.00 N ATOM 78 CA SER A 5 2.784 -3.827 -3.563 1.00 0.00 C ATOM 79 C SER A 5 1.668 -4.877 -3.556 1.00 0.00 C ATOM 80 O SER A 5 0.496 -4.518 -3.663 1.00 0.00 O ATOM 81 CB SER A 5 3.524 -3.738 -4.898 1.00 0.00 C ATOM 82 OG SER A 5 4.490 -2.708 -4.810 1.00 0.00 O ATOM 0 H SER A 5 4.138 -5.037 -2.538 1.00 0.00 H new ATOM 0 HA SER A 5 2.296 -2.866 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.005 -4.689 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.823 -3.531 -5.706 1.00 0.00 H new ATOM 0 HG SER A 5 4.091 -1.860 -5.096 1.00 0.00 H new ATOM 215 N THR A 14 7.293 -6.604 -3.882 1.00 0.00 N ATOM 216 CA THR A 14 7.836 -5.615 -2.968 1.00 0.00 C ATOM 217 C THR A 14 8.889 -4.841 -3.755 1.00 0.00 C ATOM 218 O THR A 14 9.682 -5.489 -4.439 1.00 0.00 O ATOM 219 CB THR A 14 8.473 -6.334 -1.771 1.00 0.00 C ATOM 220 OG1 THR A 14 9.435 -7.268 -2.223 1.00 0.00 O ATOM 221 CG2 THR A 14 7.426 -7.115 -0.976 1.00 0.00 C ATOM 0 HA THR A 14 7.069 -4.942 -2.585 1.00 0.00 H new ATOM 0 HB THR A 14 8.929 -5.570 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.090 -7.738 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.906 -7.614 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.665 -6.429 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.960 -7.860 -1.621 1.00 0.00 H new ATOM 229 N LYS A 15 8.925 -3.508 -3.670 1.00 0.00 N ATOM 230 CA LYS A 15 9.850 -2.709 -4.467 1.00 0.00 C ATOM 231 C LYS A 15 10.528 -1.603 -3.659 1.00 0.00 C ATOM 232 O LYS A 15 10.025 -1.162 -2.625 1.00 0.00 O ATOM 233 CB LYS A 15 9.094 -2.131 -5.674 1.00 0.00 C ATOM 234 CG LYS A 15 7.812 -1.385 -5.272 1.00 0.00 C ATOM 235 CD LYS A 15 7.133 -0.713 -6.475 1.00 0.00 C ATOM 236 CE LYS A 15 6.799 -1.677 -7.622 1.00 0.00 C ATOM 237 NZ LYS A 15 6.090 -2.879 -7.149 1.00 0.00 N ATOM 0 H LYS A 15 8.322 -2.962 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 15 10.655 -3.360 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.750 -1.450 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.839 -2.940 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.117 -2.084 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.052 -0.630 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.214 -0.232 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.785 0.074 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.185 -1.162 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.719 -1.974 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.436 -3.209 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.780 -3.628 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.554 -2.649 -6.288 1.00 0.00 H new ATOM 251 N THR A 16 11.685 -1.168 -4.167 1.00 0.00 N ATOM 252 CA THR A 16 12.503 -0.099 -3.617 1.00 0.00 C ATOM 253 C THR A 16 12.162 1.173 -4.387 1.00 0.00 C ATOM 254 O THR A 16 12.688 1.395 -5.475 1.00 0.00 O ATOM 255 CB THR A 16 13.990 -0.465 -3.758 1.00 0.00 C ATOM 256 OG1 THR A 16 14.221 -1.748 -3.214 1.00 0.00 O ATOM 257 CG2 THR A 16 14.879 0.535 -3.013 1.00 0.00 C ATOM 0 H THR A 16 12.089 -1.574 -5.011 1.00 0.00 H new ATOM 0 HA THR A 16 12.306 0.053 -2.556 1.00 0.00 H new ATOM 0 HB THR A 16 14.236 -0.446 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.169 -1.977 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.925 0.250 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.726 1.533 -3.423 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.620 0.534 -1.954 1.00 0.00 H new ATOM 265 N CYS A 17 11.261 1.991 -3.846 1.00 0.00 N ATOM 266 CA CYS A 17 10.854 3.238 -4.480 1.00 0.00 C ATOM 267 C CYS A 17 11.711 4.373 -3.942 1.00 0.00 C ATOM 268 O CYS A 17 12.415 4.206 -2.947 1.00 0.00 O ATOM 269 CB CYS A 17 9.378 3.502 -4.183 1.00 0.00 C ATOM 270 SG CYS A 17 8.251 2.516 -5.186 1.00 0.00 S ATOM 0 H CYS A 17 10.795 1.806 -2.958 1.00 0.00 H new ATOM 0 HA CYS A 17 10.989 3.169 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.186 3.298 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.167 4.559 -4.347 1.00 0.00 H new ATOM 275 N VAL A 18 11.644 5.546 -4.574 1.00 0.00 N ATOM 276 CA VAL A 18 12.368 6.712 -4.108 1.00 0.00 C ATOM 277 C VAL A 18 11.643 7.291 -2.886 1.00 0.00 C ATOM 278 O VAL A 18 12.245 7.433 -1.823 1.00 0.00 O ATOM 279 CB VAL A 18 12.537 7.716 -5.265 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.414 7.101 -6.363 1.00 0.00 C ATOM 281 CG2 VAL A 18 11.238 8.241 -5.898 1.00 0.00 C ATOM 0 H VAL A 18 11.089 5.706 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 18 13.376 6.450 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 18 13.005 8.586 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.530 7.815 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.394 6.857 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.942 6.194 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.480 8.939 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.668 7.406 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.644 8.751 -5.140 1.00 0.00 H new ATOM 291 N GLU A 19 10.334 7.548 -3.023 1.00 0.00 N ATOM 292 CA GLU A 19 9.489 8.157 -2.000 1.00 0.00 C ATOM 293 C GLU A 19 9.697 7.553 -0.623 1.00 0.00 C ATOM 294 O GLU A 19 9.838 6.339 -0.468 1.00 0.00 O ATOM 295 CB GLU A 19 8.005 8.001 -2.352 1.00 0.00 C ATOM 296 CG GLU A 19 7.625 8.961 -3.478 1.00 0.00 C ATOM 297 CD GLU A 19 7.364 10.369 -2.951 1.00 0.00 C ATOM 298 OE1 GLU A 19 6.252 10.575 -2.418 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.286 11.204 -3.072 1.00 0.00 O ATOM 0 H GLU A 19 9.823 7.329 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 19 9.778 9.208 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.802 6.974 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.392 8.200 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.426 8.991 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.735 8.592 -3.987 1.00 0.00 H new ATOM 306 N ASN A 20 9.659 8.429 0.379 1.00 0.00 N ATOM 307 CA ASN A 20 9.786 8.033 1.767 1.00 0.00 C ATOM 308 C ASN A 20 8.514 7.333 2.244 1.00 0.00 C ATOM 309 O ASN A 20 8.557 6.581 3.217 1.00 0.00 O ATOM 310 CB ASN A 20 10.066 9.261 2.638 1.00 0.00 C ATOM 311 CG ASN A 20 10.327 8.838 4.082 1.00 0.00 C ATOM 312 OD1 ASN A 20 11.264 8.092 4.349 1.00 0.00 O ATOM 313 ND2 ASN A 20 9.512 9.301 5.025 1.00 0.00 N ATOM 0 H ASN A 20 9.539 9.433 0.244 1.00 0.00 H new ATOM 0 HA ASN A 20 10.619 7.336 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.928 9.802 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.217 9.944 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.658 9.037 6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.741 9.920 4.774 1.00 0.00 H new ATOM 320 N THR A 21 7.386 7.580 1.567 1.00 0.00 N ATOM 321 CA THR A 21 6.090 7.083 1.979 1.00 0.00 C ATOM 322 C THR A 21 5.637 5.908 1.120 1.00 0.00 C ATOM 323 O THR A 21 5.980 5.807 -0.060 1.00 0.00 O ATOM 324 CB THR A 21 5.093 8.244 1.872 1.00 0.00 C ATOM 325 OG1 THR A 21 5.351 8.965 0.681 1.00 0.00 O ATOM 326 CG2 THR A 21 5.244 9.195 3.062 1.00 0.00 C ATOM 0 H THR A 21 7.359 8.136 0.712 1.00 0.00 H new ATOM 0 HA THR A 21 6.148 6.715 3.004 1.00 0.00 H new ATOM 0 HB THR A 21 4.081 7.838 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.717 9.708 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.528 10.012 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.055 8.652 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.256 9.599 3.078 1.00 0.00 H new ATOM 334 N CYS A 22 4.840 5.032 1.731 1.00 0.00 N ATOM 335 CA CYS A 22 4.193 3.901 1.100 1.00 0.00 C ATOM 336 C CYS A 22 2.709 4.035 1.403 1.00 0.00 C ATOM 337 O CYS A 22 2.316 4.851 2.240 1.00 0.00 O ATOM 338 CB CYS A 22 4.685 2.560 1.652 1.00 0.00 C ATOM 339 SG CYS A 22 6.470 2.306 1.765 1.00 0.00 S ATOM 0 H CYS A 22 4.623 5.102 2.725 1.00 0.00 H new ATOM 0 HA CYS A 22 4.416 3.908 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.264 2.432 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.272 1.768 1.028 1.00 0.00 H new ATOM 344 N TYR A 23 1.888 3.229 0.737 1.00 0.00 N ATOM 345 CA TYR A 23 0.464 3.196 0.982 1.00 0.00 C ATOM 346 C TYR A 23 -0.051 1.783 0.877 1.00 0.00 C ATOM 347 O TYR A 23 0.607 0.893 0.317 1.00 0.00 O ATOM 348 CB TYR A 23 -0.301 4.043 -0.036 1.00 0.00 C ATOM 349 CG TYR A 23 -0.302 3.534 -1.472 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.296 2.632 -1.899 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.590 4.069 -2.418 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.441 2.320 -3.261 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.402 3.811 -3.787 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.616 2.943 -4.210 1.00 0.00 C ATOM 355 OH TYR A 23 -0.750 2.656 -5.534 1.00 0.00 O ATOM 0 H TYR A 23 2.199 2.582 0.012 1.00 0.00 H new ATOM 0 HA TYR A 23 0.305 3.595 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.335 4.128 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.120 5.049 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.953 2.176 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.420 4.679 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.185 1.603 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.044 4.283 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.100 3.178 -6.049 1.00 0.00 H new ATOM 365 N LYS A 24 -1.276 1.656 1.379 1.00 0.00 N ATOM 366 CA LYS A 24 -2.096 0.475 1.228 1.00 0.00 C ATOM 367 C LYS A 24 -3.504 0.939 0.862 1.00 0.00 C ATOM 368 O LYS A 24 -4.044 1.854 1.487 1.00 0.00 O ATOM 369 CB LYS A 24 -1.990 -0.459 2.447 1.00 0.00 C ATOM 370 CG LYS A 24 -2.484 0.109 3.779 1.00 0.00 C ATOM 371 CD LYS A 24 -2.423 -0.941 4.905 1.00 0.00 C ATOM 372 CE LYS A 24 -1.014 -1.480 5.199 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.031 -2.471 6.292 1.00 0.00 N ATOM 0 H LYS A 24 -1.731 2.395 1.915 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.742 -0.161 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.553 -1.367 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.946 -0.751 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.878 0.972 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.509 0.462 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.827 -0.501 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.070 -1.777 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.603 -1.937 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.356 -0.653 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.187 -3.075 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.033 -1.978 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.885 -3.059 6.214 1.00 0.00 H new ATOM 387 N MET A 25 -4.030 0.369 -0.225 1.00 0.00 N ATOM 388 CA MET A 25 -5.333 0.654 -0.793 1.00 0.00 C ATOM 389 C MET A 25 -6.277 -0.487 -0.447 1.00 0.00 C ATOM 390 O MET A 25 -5.932 -1.653 -0.650 1.00 0.00 O ATOM 391 CB MET A 25 -5.229 0.821 -2.305 1.00 0.00 C ATOM 392 CG MET A 25 -6.562 1.268 -2.924 1.00 0.00 C ATOM 393 SD MET A 25 -6.525 1.545 -4.713 1.00 0.00 S ATOM 394 CE MET A 25 -6.519 -0.164 -5.300 1.00 0.00 C ATOM 0 H MET A 25 -3.524 -0.341 -0.755 1.00 0.00 H new ATOM 0 HA MET A 25 -5.718 1.586 -0.379 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.457 1.554 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.918 -0.122 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.318 0.514 -2.705 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.880 2.189 -2.436 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.497 -0.174 -6.390 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.639 -0.678 -4.914 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.418 -0.672 -4.950 1.00 0.00 H new ATOM 404 N PHE A 26 -7.466 -0.135 0.038 1.00 0.00 N ATOM 405 CA PHE A 26 -8.532 -1.027 0.463 1.00 0.00 C ATOM 406 C PHE A 26 -9.842 -0.537 -0.136 1.00 0.00 C ATOM 407 O PHE A 26 -9.912 0.567 -0.682 1.00 0.00 O ATOM 408 CB PHE A 26 -8.618 -1.029 1.999 1.00 0.00 C ATOM 409 CG PHE A 26 -8.434 0.341 2.616 1.00 0.00 C ATOM 410 CD1 PHE A 26 -7.130 0.817 2.828 1.00 0.00 C ATOM 411 CD2 PHE A 26 -9.528 1.211 2.782 1.00 0.00 C ATOM 412 CE1 PHE A 26 -6.922 2.160 3.157 1.00 0.00 C ATOM 413 CE2 PHE A 26 -9.318 2.539 3.193 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.010 3.017 3.379 1.00 0.00 C ATOM 0 H PHE A 26 -7.723 0.846 0.150 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.332 -2.043 0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.587 -1.427 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.859 -1.703 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.288 0.146 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.531 0.858 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.915 2.541 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.161 3.191 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.843 4.037 3.691 1.00 0.00 H new ATOM 424 N ILE A 27 -10.886 -1.361 -0.051 1.00 0.00 N ATOM 425 CA ILE A 27 -12.200 -0.952 -0.516 1.00 0.00 C ATOM 426 C ILE A 27 -12.722 0.042 0.521 1.00 0.00 C ATOM 427 O ILE A 27 -12.588 -0.179 1.722 1.00 0.00 O ATOM 428 CB ILE A 27 -13.120 -2.169 -0.695 1.00 0.00 C ATOM 429 CG1 ILE A 27 -12.542 -3.104 -1.769 1.00 0.00 C ATOM 430 CG2 ILE A 27 -14.527 -1.726 -1.118 1.00 0.00 C ATOM 431 CD1 ILE A 27 -13.339 -4.402 -1.920 1.00 0.00 C ATOM 0 H ILE A 27 -10.844 -2.305 0.332 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.160 -0.481 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.185 -2.694 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.523 -2.582 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.509 -3.345 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.163 -2.603 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.949 -1.075 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.470 -1.186 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.883 -5.021 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.337 -4.943 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.366 -4.168 -2.202 1.00 0.00 H new ATOM 443 N ARG A 28 -13.306 1.144 0.059 1.00 0.00 N ATOM 444 CA ARG A 28 -13.752 2.228 0.920 1.00 0.00 C ATOM 445 C ARG A 28 -14.788 1.757 1.935 1.00 0.00 C ATOM 446 O ARG A 28 -14.700 2.083 3.116 1.00 0.00 O ATOM 447 CB ARG A 28 -14.266 3.378 0.043 1.00 0.00 C ATOM 448 CG ARG A 28 -14.308 4.696 0.829 1.00 0.00 C ATOM 449 CD ARG A 28 -14.689 5.883 -0.064 1.00 0.00 C ATOM 450 NE ARG A 28 -13.752 6.046 -1.187 1.00 0.00 N ATOM 451 CZ ARG A 28 -13.777 7.046 -2.076 1.00 0.00 C ATOM 452 NH1 ARG A 28 -14.715 7.996 -2.011 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.839 7.078 -3.025 1.00 0.00 N ATOM 0 H ARG A 28 -13.483 1.308 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.911 2.590 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.621 3.491 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.263 3.140 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.027 4.610 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.333 4.880 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.698 5.738 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.704 6.796 0.532 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.025 5.340 -1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.423 7.964 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.723 8.753 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.125 6.351 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.836 7.830 -3.714 1.00 0.00 H new ATOM 467 N THR A 29 -15.778 1.001 1.468 1.00 0.00 N ATOM 468 CA THR A 29 -16.813 0.439 2.315 1.00 0.00 C ATOM 469 C THR A 29 -16.194 -0.665 3.173 1.00 0.00 C ATOM 470 O THR A 29 -16.163 -0.586 4.400 1.00 0.00 O ATOM 471 CB THR A 29 -17.930 -0.107 1.416 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.350 -0.850 0.359 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.748 1.038 0.812 1.00 0.00 C ATOM 0 H THR A 29 -15.881 0.762 0.482 1.00 0.00 H new ATOM 0 HA THR A 29 -17.238 1.192 2.979 1.00 0.00 H new ATOM 0 HB THR A 29 -18.585 -0.736 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.058 -1.204 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.534 0.628 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.197 1.626 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.096 1.675 0.215 1.00 0.00 H new ATOM 481 N HIS A 30 -15.674 -1.698 2.510 1.00 0.00 N ATOM 482 CA HIS A 30 -15.058 -2.845 3.164 1.00 0.00 C ATOM 483 C HIS A 30 -13.622 -2.494 3.557 1.00 0.00 C ATOM 484 O HIS A 30 -12.663 -3.078 3.059 1.00 0.00 O ATOM 485 CB HIS A 30 -15.152 -4.078 2.257 1.00 0.00 C ATOM 486 CG HIS A 30 -16.578 -4.437 1.925 1.00 0.00 C ATOM 487 ND1 HIS A 30 -17.414 -5.084 2.824 1.00 0.00 N ATOM 488 CD2 HIS A 30 -17.353 -4.204 0.814 1.00 0.00 C ATOM 489 CE1 HIS A 30 -18.616 -5.202 2.236 1.00 0.00 C ATOM 490 NE2 HIS A 30 -18.646 -4.679 1.009 1.00 0.00 N ATOM 0 H HIS A 30 -15.670 -1.759 1.492 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.591 -3.094 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.603 -3.890 1.334 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.671 -4.924 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -17.006 -3.719 -0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -19.468 -5.671 2.707 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -19.434 -4.637 0.363 1.00 0.00 H new ATOM 498 N ARG A 31 -13.506 -1.546 4.490 1.00 0.00 N ATOM 499 CA ARG A 31 -12.257 -1.036 5.029 1.00 0.00 C ATOM 500 C ARG A 31 -11.269 -2.144 5.387 1.00 0.00 C ATOM 501 O ARG A 31 -10.090 -2.073 5.034 1.00 0.00 O ATOM 502 CB ARG A 31 -12.588 -0.186 6.269 1.00 0.00 C ATOM 503 CG ARG A 31 -12.475 1.312 5.962 1.00 0.00 C ATOM 504 CD ARG A 31 -11.108 1.855 6.403 1.00 0.00 C ATOM 505 NE ARG A 31 -10.012 0.979 5.968 1.00 0.00 N ATOM 506 CZ ARG A 31 -8.718 1.134 6.264 1.00 0.00 C ATOM 507 NH1 ARG A 31 -8.299 2.209 6.940 1.00 0.00 N ATOM 508 NH2 ARG A 31 -7.857 0.195 5.866 1.00 0.00 N ATOM 0 H ARG A 31 -14.322 -1.097 4.905 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.767 -0.435 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.598 -0.415 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.910 -0.445 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.611 1.481 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.270 1.854 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.962 2.853 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.088 1.953 7.488 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.262 0.179 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.969 2.919 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.309 2.318 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.192 -0.618 5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.864 0.290 6.079 1.00 0.00 H new ATOM 522 N GLU A 32 -11.754 -3.164 6.096 1.00 0.00 N ATOM 523 CA GLU A 32 -10.949 -4.280 6.574 1.00 0.00 C ATOM 524 C GLU A 32 -10.657 -5.286 5.448 1.00 0.00 C ATOM 525 O GLU A 32 -10.894 -6.482 5.598 1.00 0.00 O ATOM 526 CB GLU A 32 -11.673 -4.918 7.772 1.00 0.00 C ATOM 527 CG GLU A 32 -10.736 -5.772 8.638 1.00 0.00 C ATOM 528 CD GLU A 32 -11.472 -6.341 9.846 1.00 0.00 C ATOM 529 OE1 GLU A 32 -11.648 -5.570 10.815 1.00 0.00 O ATOM 530 OE2 GLU A 32 -11.853 -7.529 9.777 1.00 0.00 O ATOM 0 H GLU A 32 -12.737 -3.235 6.357 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.973 -3.925 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.115 -4.133 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.493 -5.538 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.326 -6.587 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.894 -5.167 8.973 1.00 0.00 H new ATOM 537 N TYR A 33 -10.133 -4.809 4.317 1.00 0.00 N ATOM 538 CA TYR A 33 -9.734 -5.641 3.195 1.00 0.00 C ATOM 539 C TYR A 33 -8.753 -4.860 2.327 1.00 0.00 C ATOM 540 O TYR A 33 -9.139 -3.904 1.655 1.00 0.00 O ATOM 541 CB TYR A 33 -10.946 -6.080 2.364 1.00 0.00 C ATOM 542 CG TYR A 33 -10.526 -6.867 1.135 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.933 -8.133 1.295 1.00 0.00 C ATOM 544 CD2 TYR A 33 -10.468 -6.226 -0.117 1.00 0.00 C ATOM 545 CE1 TYR A 33 -9.252 -8.734 0.223 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.800 -6.834 -1.194 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.160 -8.073 -1.012 1.00 0.00 C ATOM 548 OH TYR A 33 -8.459 -8.645 -2.033 1.00 0.00 O ATOM 0 H TYR A 33 -9.974 -3.814 4.159 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.257 -6.544 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.608 -6.690 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.515 -5.202 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.001 -8.644 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.939 -5.263 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.799 -9.706 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.778 -6.351 -2.160 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.492 -8.062 -2.820 1.00 0.00 H new ATOM 558 N ILE A 34 -7.484 -5.275 2.318 1.00 0.00 N ATOM 559 CA ILE A 34 -6.467 -4.626 1.510 1.00 0.00 C ATOM 560 C ILE A 34 -6.639 -5.139 0.081 1.00 0.00 C ATOM 561 O ILE A 34 -6.663 -6.344 -0.155 1.00 0.00 O ATOM 562 CB ILE A 34 -5.059 -4.917 2.063 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.948 -4.590 3.566 1.00 0.00 C ATOM 564 CG2 ILE A 34 -4.012 -4.113 1.274 1.00 0.00 C ATOM 565 CD1 ILE A 34 -5.475 -3.206 3.964 1.00 0.00 C ATOM 0 H ILE A 34 -7.142 -6.063 2.867 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.580 -3.542 1.532 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.873 -5.984 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.494 -5.347 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.902 -4.664 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.018 -4.323 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.051 -4.397 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.223 -3.048 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.355 -3.066 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.914 -2.437 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.531 -3.130 3.704 1.00 0.00 H new ATOM 577 N SER A 35 -6.806 -4.209 -0.855 1.00 0.00 N ATOM 578 CA SER A 35 -6.987 -4.453 -2.274 1.00 0.00 C ATOM 579 C SER A 35 -5.635 -4.497 -2.978 1.00 0.00 C ATOM 580 O SER A 35 -5.433 -5.358 -3.829 1.00 0.00 O ATOM 581 CB SER A 35 -7.870 -3.349 -2.855 1.00 0.00 C ATOM 582 OG SER A 35 -9.094 -3.315 -2.149 1.00 0.00 O ATOM 0 H SER A 35 -6.819 -3.215 -0.627 1.00 0.00 H new ATOM 0 HA SER A 35 -7.472 -5.417 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.366 -2.386 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.052 -3.531 -3.914 1.00 0.00 H new ATOM 0 HG SER A 35 -9.703 -2.680 -2.581 1.00 0.00 H new ATOM 588 N GLU A 36 -4.721 -3.572 -2.653 1.00 0.00 N ATOM 589 CA GLU A 36 -3.376 -3.551 -3.231 1.00 0.00 C ATOM 590 C GLU A 36 -2.530 -2.549 -2.445 1.00 0.00 C ATOM 591 O GLU A 36 -3.066 -1.869 -1.573 1.00 0.00 O ATOM 592 CB GLU A 36 -3.437 -3.187 -4.731 1.00 0.00 C ATOM 593 CG GLU A 36 -2.390 -3.929 -5.578 1.00 0.00 C ATOM 594 CD GLU A 36 -2.639 -5.438 -5.644 1.00 0.00 C ATOM 595 OE1 GLU A 36 -3.482 -5.834 -6.477 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.974 -6.171 -4.877 1.00 0.00 O ATOM 0 H GLU A 36 -4.895 -2.822 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.920 -4.539 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.432 -3.415 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.291 -2.113 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.392 -3.521 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.399 -3.747 -5.163 1.00 0.00 H new ATOM 603 N ARG A 37 -1.228 -2.445 -2.725 1.00 0.00 N ATOM 604 CA ARG A 37 -0.337 -1.505 -2.055 1.00 0.00 C ATOM 605 C ARG A 37 0.546 -0.764 -3.048 1.00 0.00 C ATOM 606 O ARG A 37 0.587 -1.115 -4.227 1.00 0.00 O ATOM 607 CB ARG A 37 0.538 -2.264 -1.058 1.00 0.00 C ATOM 608 CG ARG A 37 -0.235 -2.594 0.201 1.00 0.00 C ATOM 609 CD ARG A 37 0.625 -3.313 1.222 1.00 0.00 C ATOM 610 NE ARG A 37 0.634 -4.760 1.001 1.00 0.00 N ATOM 611 CZ ARG A 37 0.648 -5.653 1.996 1.00 0.00 C ATOM 612 NH1 ARG A 37 0.853 -5.267 3.252 1.00 0.00 N ATOM 613 NH2 ARG A 37 0.460 -6.938 1.730 1.00 0.00 N ATOM 0 H ARG A 37 -0.763 -3.017 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.948 -0.767 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.904 -3.183 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.412 -1.664 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.625 -1.675 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.093 -3.216 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.645 -2.931 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.254 -3.100 2.225 1.00 0.00 H new ATOM 0 HE ARG A 37 0.629 -5.104 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.002 -4.281 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.861 -5.957 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.305 -7.243 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.470 -7.622 2.486 1.00 0.00 H new ATOM 627 N GLY A 38 1.256 0.265 -2.571 1.00 0.00 N ATOM 628 CA GLY A 38 2.170 0.992 -3.442 1.00 0.00 C ATOM 629 C GLY A 38 3.015 2.034 -2.712 1.00 0.00 C ATOM 630 O GLY A 38 3.098 2.028 -1.484 1.00 0.00 O ATOM 0 H GLY A 38 1.214 0.603 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.832 0.280 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.595 1.487 -4.225 1.00 0.00 H new ATOM 634 N CYS A 39 3.629 2.932 -3.492 1.00 0.00 N ATOM 635 CA CYS A 39 4.577 3.953 -3.069 1.00 0.00 C ATOM 636 C CYS A 39 4.028 5.372 -3.222 1.00 0.00 C ATOM 637 O CYS A 39 3.158 5.605 -4.056 1.00 0.00 O ATOM 638 CB CYS A 39 5.801 3.829 -3.974 1.00 0.00 C ATOM 639 SG CYS A 39 6.653 2.243 -3.900 1.00 0.00 S ATOM 0 H CYS A 39 3.462 2.961 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 39 4.801 3.797 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.491 4.009 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.508 4.616 -3.711 1.00 0.00 H new ATOM 644 N GLY A 40 4.561 6.323 -2.441 1.00 0.00 N ATOM 645 CA GLY A 40 4.239 7.749 -2.520 1.00 0.00 C ATOM 646 C GLY A 40 2.754 8.053 -2.615 1.00 0.00 C ATOM 647 O GLY A 40 2.243 8.699 -3.525 1.00 0.00 O ATOM 0 H GLY A 40 5.248 6.111 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.644 8.250 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.741 8.175 -3.389 1.00 0.00 H new ATOM 651 N CYS A 41 2.123 7.534 -1.590 1.00 0.00 N ATOM 652 CA CYS A 41 0.708 7.509 -1.255 1.00 0.00 C ATOM 653 C CYS A 41 -0.173 8.582 -1.912 1.00 0.00 C ATOM 654 O CYS A 41 -0.290 9.686 -1.379 1.00 0.00 O ATOM 655 CB CYS A 41 0.590 7.631 0.256 1.00 0.00 C ATOM 656 SG CYS A 41 -1.115 7.442 0.818 1.00 0.00 S ATOM 0 H CYS A 41 2.660 7.052 -0.869 1.00 0.00 H new ATOM 0 HA CYS A 41 0.328 6.568 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.214 6.874 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.971 8.602 0.572 1.00 0.00 H new ATOM 661 N PRO A 42 -0.829 8.264 -3.039 1.00 0.00 N ATOM 662 CA PRO A 42 -1.807 9.134 -3.658 1.00 0.00 C ATOM 663 C PRO A 42 -3.195 8.774 -3.125 1.00 0.00 C ATOM 664 O PRO A 42 -3.375 7.758 -2.451 1.00 0.00 O ATOM 665 CB PRO A 42 -1.724 8.833 -5.151 1.00 0.00 C ATOM 666 CG PRO A 42 -1.390 7.337 -5.172 1.00 0.00 C ATOM 667 CD PRO A 42 -0.619 7.087 -3.869 1.00 0.00 C ATOM 0 HA PRO A 42 -1.626 10.189 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.664 9.046 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.954 9.427 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.295 6.731 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.788 7.079 -6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.981 6.189 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.442 6.935 -4.068 1.00 0.00 H new ATOM 675 N THR A 43 -4.190 9.596 -3.449 1.00 0.00 N ATOM 676 CA THR A 43 -5.580 9.321 -3.102 1.00 0.00 C ATOM 677 C THR A 43 -6.136 8.347 -4.146 1.00 0.00 C ATOM 678 O THR A 43 -5.669 8.350 -5.285 1.00 0.00 O ATOM 679 CB THR A 43 -6.384 10.627 -3.103 1.00 0.00 C ATOM 680 OG1 THR A 43 -5.567 11.691 -2.655 1.00 0.00 O ATOM 681 CG2 THR A 43 -7.615 10.536 -2.196 1.00 0.00 C ATOM 0 H THR A 43 -4.055 10.469 -3.958 1.00 0.00 H new ATOM 0 HA THR A 43 -5.651 8.883 -2.106 1.00 0.00 H new ATOM 0 HB THR A 43 -6.719 10.805 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.083 12.524 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.158 11.481 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.265 9.733 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.299 10.329 -1.174 1.00 0.00 H new ATOM 689 N ALA A 44 -7.128 7.531 -3.782 1.00 0.00 N ATOM 690 CA ALA A 44 -7.753 6.584 -4.702 1.00 0.00 C ATOM 691 C ALA A 44 -9.232 6.932 -4.880 1.00 0.00 C ATOM 692 O ALA A 44 -9.839 7.590 -4.033 1.00 0.00 O ATOM 693 CB ALA A 44 -7.540 5.154 -4.201 1.00 0.00 C ATOM 0 H ALA A 44 -7.519 7.510 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.286 6.653 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.009 4.453 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.472 4.945 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.988 5.044 -3.213 1.00 0.00 H new ATOM 699 N MET A 45 -9.794 6.523 -6.021 1.00 0.00 N ATOM 700 CA MET A 45 -11.164 6.796 -6.409 1.00 0.00 C ATOM 701 C MET A 45 -12.106 5.695 -5.921 1.00 0.00 C ATOM 702 O MET A 45 -11.685 4.584 -5.597 1.00 0.00 O ATOM 703 CB MET A 45 -11.216 6.908 -7.937 1.00 0.00 C ATOM 704 CG MET A 45 -10.404 8.105 -8.449 1.00 0.00 C ATOM 705 SD MET A 45 -10.485 8.345 -10.241 1.00 0.00 S ATOM 706 CE MET A 45 -9.441 9.810 -10.401 1.00 0.00 C ATOM 0 H MET A 45 -9.285 5.976 -6.716 1.00 0.00 H new ATOM 0 HA MET A 45 -11.493 7.729 -5.951 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.831 5.991 -8.382 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.253 7.008 -8.259 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.761 9.009 -7.956 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.362 7.974 -8.158 1.00 0.00 H new ATOM 0 HE1 MET A 45 -9.379 10.100 -11.450 1.00 0.00 H new ATOM 0 HE2 MET A 45 -9.871 10.628 -9.823 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.442 9.587 -10.027 1.00 0.00 H new ATOM 716 N TRP A 46 -13.399 6.016 -5.878 1.00 0.00 N ATOM 717 CA TRP A 46 -14.441 5.091 -5.463 1.00 0.00 C ATOM 718 C TRP A 46 -14.404 3.865 -6.395 1.00 0.00 C ATOM 719 O TRP A 46 -14.158 4.038 -7.588 1.00 0.00 O ATOM 720 CB TRP A 46 -15.789 5.823 -5.552 1.00 0.00 C ATOM 721 CG TRP A 46 -16.910 5.309 -4.707 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.895 5.111 -3.370 1.00 0.00 C ATOM 723 CD2 TRP A 46 -18.255 4.978 -5.137 1.00 0.00 C ATOM 724 NE1 TRP A 46 -18.115 4.615 -2.956 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.999 4.521 -4.013 1.00 0.00 C ATOM 726 CE3 TRP A 46 -18.917 5.041 -6.375 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -20.337 4.112 -4.123 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.258 4.632 -6.502 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.965 4.162 -5.379 1.00 0.00 C ATOM 0 H TRP A 46 -13.751 6.938 -6.134 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.293 4.749 -4.439 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.622 6.868 -5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.115 5.803 -6.592 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -16.054 5.311 -2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -18.335 4.352 -1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.389 5.409 -7.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.876 3.764 -3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -20.746 4.679 -7.464 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.991 3.840 -5.483 1.00 0.00 H new ATOM 740 N PRO A 47 -14.645 2.634 -5.912 1.00 0.00 N ATOM 741 CA PRO A 47 -15.038 2.268 -4.559 1.00 0.00 C ATOM 742 C PRO A 47 -13.848 1.999 -3.629 1.00 0.00 C ATOM 743 O PRO A 47 -14.020 1.297 -2.635 1.00 0.00 O ATOM 744 CB PRO A 47 -15.882 1.004 -4.757 1.00 0.00 C ATOM 745 CG PRO A 47 -15.141 0.301 -5.894 1.00 0.00 C ATOM 746 CD PRO A 47 -14.728 1.473 -6.786 1.00 0.00 C ATOM 0 HA PRO A 47 -15.575 3.080 -4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.919 0.393 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.912 1.239 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -14.278 -0.259 -5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.782 -0.406 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.770 1.278 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.457 1.634 -7.580 1.00 0.00 H new ATOM 754 N TYR A 48 -12.657 2.540 -3.904 1.00 0.00 N ATOM 755 CA TYR A 48 -11.476 2.304 -3.085 1.00 0.00 C ATOM 756 C TYR A 48 -11.061 3.542 -2.317 1.00 0.00 C ATOM 757 O TYR A 48 -11.510 4.655 -2.595 1.00 0.00 O ATOM 758 CB TYR A 48 -10.288 1.929 -3.980 1.00 0.00 C ATOM 759 CG TYR A 48 -10.500 0.638 -4.743 1.00 0.00 C ATOM 760 CD1 TYR A 48 -10.308 -0.602 -4.107 1.00 0.00 C ATOM 761 CD2 TYR A 48 -11.001 0.681 -6.057 1.00 0.00 C ATOM 762 CE1 TYR A 48 -10.616 -1.794 -4.785 1.00 0.00 C ATOM 763 CE2 TYR A 48 -11.302 -0.512 -6.735 1.00 0.00 C ATOM 764 CZ TYR A 48 -11.116 -1.748 -6.096 1.00 0.00 C ATOM 765 OH TYR A 48 -11.432 -2.901 -6.751 1.00 0.00 O ATOM 0 H TYR A 48 -12.490 3.153 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.734 1.505 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.106 2.737 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.393 1.837 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.924 -0.638 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.154 1.632 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.468 -2.746 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.676 -0.478 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.765 -2.687 -7.648 1.00 0.00 H new ATOM 775 N GLN A 49 -10.176 3.325 -1.346 1.00 0.00 N ATOM 776 CA GLN A 49 -9.454 4.413 -0.730 1.00 0.00 C ATOM 777 C GLN A 49 -8.123 3.885 -0.210 1.00 0.00 C ATOM 778 O GLN A 49 -7.971 2.701 0.088 1.00 0.00 O ATOM 779 CB GLN A 49 -10.257 5.147 0.352 1.00 0.00 C ATOM 780 CG GLN A 49 -9.698 6.555 0.639 1.00 0.00 C ATOM 781 CD GLN A 49 -9.417 7.331 -0.647 1.00 0.00 C ATOM 782 OE1 GLN A 49 -8.269 7.445 -1.072 1.00 0.00 O ATOM 783 NE2 GLN A 49 -10.459 7.765 -1.340 1.00 0.00 N ATOM 0 H GLN A 49 -9.948 2.402 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.271 5.174 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.297 5.228 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.247 4.560 1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.410 7.110 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.779 6.469 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.401 7.658 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.319 8.206 -2.249 1.00 0.00 H new ATOM 792 N THR A 50 -7.154 4.789 -0.187 1.00 0.00 N ATOM 793 CA THR A 50 -5.791 4.582 0.263 1.00 0.00 C ATOM 794 C THR A 50 -5.550 5.171 1.650 1.00 0.00 C ATOM 795 O THR A 50 -6.187 6.144 2.051 1.00 0.00 O ATOM 796 CB THR A 50 -4.826 5.247 -0.735 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.466 6.319 -1.395 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.355 4.249 -1.787 1.00 0.00 C ATOM 0 H THR A 50 -7.312 5.746 -0.503 1.00 0.00 H new ATOM 0 HA THR A 50 -5.618 3.507 0.319 1.00 0.00 H new ATOM 0 HB THR A 50 -3.969 5.611 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.791 6.915 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.674 4.744 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.838 3.423 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.215 3.865 -2.336 1.00 0.00 H new ATOM 806 N GLU A 51 -4.608 4.563 2.374 1.00 0.00 N ATOM 807 CA GLU A 51 -4.084 5.071 3.634 1.00 0.00 C ATOM 808 C GLU A 51 -2.567 4.916 3.526 1.00 0.00 C ATOM 809 O GLU A 51 -2.085 3.933 2.956 1.00 0.00 O ATOM 810 CB GLU A 51 -4.730 4.398 4.849 1.00 0.00 C ATOM 811 CG GLU A 51 -4.147 3.018 5.118 1.00 0.00 C ATOM 812 CD GLU A 51 -5.007 2.187 6.067 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.540 2.779 7.030 1.00 0.00 O ATOM 814 OE2 GLU A 51 -5.141 0.972 5.805 1.00 0.00 O ATOM 0 H GLU A 51 -4.181 3.682 2.089 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.332 6.119 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.591 5.027 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.804 4.312 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.037 2.485 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.148 3.127 5.541 1.00 0.00 H new ATOM 821 N CYS A 52 -1.831 5.918 4.006 1.00 0.00 N ATOM 822 CA CYS A 52 -0.393 6.016 3.863 1.00 0.00 C ATOM 823 C CYS A 52 0.356 5.580 5.117 1.00 0.00 C ATOM 824 O CYS A 52 -0.232 5.445 6.188 1.00 0.00 O ATOM 825 CB CYS A 52 -0.023 7.485 3.639 1.00 0.00 C ATOM 826 SG CYS A 52 -1.080 8.507 2.588 1.00 0.00 S ATOM 0 H CYS A 52 -2.237 6.701 4.518 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.115 5.367 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.029 7.964 4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.982 7.510 3.218 1.00 0.00 H new ATOM 831 N CYS A 53 1.674 5.428 4.982 1.00 0.00 N ATOM 832 CA CYS A 53 2.607 5.194 6.075 1.00 0.00 C ATOM 833 C CYS A 53 4.002 5.564 5.579 1.00 0.00 C ATOM 834 O CYS A 53 4.195 5.766 4.380 1.00 0.00 O ATOM 835 CB CYS A 53 2.558 3.748 6.576 1.00 0.00 C ATOM 836 SG CYS A 53 3.094 2.498 5.390 1.00 0.00 S ATOM 0 H CYS A 53 2.134 5.467 4.073 1.00 0.00 H new ATOM 0 HA CYS A 53 2.332 5.812 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.181 3.669 7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.536 3.521 6.880 1.00 0.00 H new ATOM 841 N LYS A 54 4.966 5.677 6.493 1.00 0.00 N ATOM 842 CA LYS A 54 6.355 5.964 6.216 1.00 0.00 C ATOM 843 C LYS A 54 7.188 4.922 6.961 1.00 0.00 C ATOM 844 O LYS A 54 6.798 4.507 8.052 1.00 0.00 O ATOM 845 CB LYS A 54 6.684 7.385 6.685 1.00 0.00 C ATOM 846 CG LYS A 54 6.080 7.758 8.048 1.00 0.00 C ATOM 847 CD LYS A 54 6.608 9.126 8.498 1.00 0.00 C ATOM 848 CE LYS A 54 5.953 9.588 9.806 1.00 0.00 C ATOM 849 NZ LYS A 54 6.257 8.682 10.928 1.00 0.00 N ATOM 0 H LYS A 54 4.781 5.564 7.490 1.00 0.00 H new ATOM 0 HA LYS A 54 6.573 5.913 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.767 7.496 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.328 8.093 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.993 7.783 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.335 6.999 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.688 9.072 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.420 9.863 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.298 10.593 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.873 9.646 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.881 9.084 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.818 7.755 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.287 8.566 11.012 1.00 0.00 H new ATOM 863 N GLY A 55 8.314 4.503 6.377 1.00 0.00 N ATOM 864 CA GLY A 55 9.214 3.514 6.958 1.00 0.00 C ATOM 865 C GLY A 55 9.376 2.310 6.032 1.00 0.00 C ATOM 866 O GLY A 55 8.512 2.026 5.200 1.00 0.00 O ATOM 0 H GLY A 55 8.628 4.851 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.187 3.968 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.826 3.186 7.922 1.00 0.00 H new ATOM 870 N ASP A 56 10.508 1.611 6.164 1.00 0.00 N ATOM 871 CA ASP A 56 10.838 0.447 5.360 1.00 0.00 C ATOM 872 C ASP A 56 9.730 -0.581 5.538 1.00 0.00 C ATOM 873 O ASP A 56 9.431 -0.982 6.659 1.00 0.00 O ATOM 874 CB ASP A 56 12.213 -0.098 5.760 1.00 0.00 C ATOM 875 CG ASP A 56 12.326 -0.396 7.250 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.272 0.589 8.020 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.482 -1.590 7.585 1.00 0.00 O ATOM 0 H ASP A 56 11.228 1.849 6.846 1.00 0.00 H new ATOM 0 HA ASP A 56 10.904 0.708 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.414 -1.009 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.979 0.625 5.481 1.00 0.00 H new ATOM 882 N ARG A 57 9.097 -0.957 4.424 1.00 0.00 N ATOM 883 CA ARG A 57 7.964 -1.838 4.341 1.00 0.00 C ATOM 884 C ARG A 57 6.925 -1.561 5.431 1.00 0.00 C ATOM 885 O ARG A 57 6.314 -2.487 5.959 1.00 0.00 O ATOM 886 CB ARG A 57 8.466 -3.276 4.306 1.00 0.00 C ATOM 887 CG ARG A 57 9.134 -3.789 5.590 1.00 0.00 C ATOM 888 CD ARG A 57 9.163 -5.317 5.563 1.00 0.00 C ATOM 889 NE ARG A 57 9.830 -5.862 6.749 1.00 0.00 N ATOM 890 CZ ARG A 57 9.917 -7.171 7.019 1.00 0.00 C ATOM 891 NH1 ARG A 57 9.364 -8.068 6.193 1.00 0.00 N ATOM 892 NH2 ARG A 57 10.562 -7.577 8.116 1.00 0.00 N ATOM 0 H ARG A 57 9.393 -0.625 3.506 1.00 0.00 H new ATOM 0 HA ARG A 57 7.420 -1.652 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.624 -3.928 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.179 -3.371 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.147 -3.395 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.586 -3.439 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.144 -5.701 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.680 -5.656 4.665 1.00 0.00 H new ATOM 0 HE ARG A 57 10.252 -5.207 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.874 -7.755 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.432 -9.064 6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.985 -6.892 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.632 -8.572 8.328 1.00 0.00 H new ATOM 906 N CYS A 58 6.693 -0.281 5.749 1.00 0.00 N ATOM 907 CA CYS A 58 5.705 0.097 6.746 1.00 0.00 C ATOM 908 C CYS A 58 4.330 -0.448 6.366 1.00 0.00 C ATOM 909 O CYS A 58 3.561 -0.861 7.231 1.00 0.00 O ATOM 910 CB CYS A 58 5.666 1.619 6.886 1.00 0.00 C ATOM 911 SG CYS A 58 5.176 2.544 5.406 1.00 0.00 S ATOM 0 H CYS A 58 7.182 0.507 5.324 1.00 0.00 H new ATOM 0 HA CYS A 58 5.986 -0.334 7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.977 1.872 7.692 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.655 1.961 7.192 1.00 0.00 H new ATOM 916 N ASN A 59 4.028 -0.487 5.067 1.00 0.00 N ATOM 917 CA ASN A 59 2.765 -0.966 4.547 1.00 0.00 C ATOM 918 C ASN A 59 2.762 -2.496 4.497 1.00 0.00 C ATOM 919 O ASN A 59 2.489 -3.070 3.450 1.00 0.00 O ATOM 920 CB ASN A 59 2.521 -0.328 3.167 1.00 0.00 C ATOM 921 CG ASN A 59 3.482 -0.777 2.064 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.559 -1.309 2.321 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.097 -0.543 0.813 1.00 0.00 N ATOM 0 H ASN A 59 4.674 -0.178 4.340 1.00 0.00 H new ATOM 0 HA ASN A 59 1.945 -0.673 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.502 -0.556 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.589 0.755 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.702 -0.807 0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.197 -0.100 0.631 1.00 0.00 H new ATOM 930 N LYS A 60 3.053 -3.158 5.615 1.00 0.00 N ATOM 931 CA LYS A 60 3.075 -4.617 5.707 1.00 0.00 C ATOM 932 C LYS A 60 1.696 -5.153 6.107 1.00 0.00 C ATOM 933 O LYS A 60 1.364 -6.282 5.663 1.00 0.00 O ATOM 934 CB LYS A 60 4.187 -5.074 6.661 1.00 0.00 C ATOM 935 CG LYS A 60 4.127 -4.432 8.056 1.00 0.00 C ATOM 936 CD LYS A 60 5.224 -4.977 8.983 1.00 0.00 C ATOM 937 CE LYS A 60 6.625 -4.554 8.518 1.00 0.00 C ATOM 938 NZ LYS A 60 7.669 -4.989 9.461 1.00 0.00 N ATOM 939 OXT LYS A 60 0.971 -4.401 6.795 1.00 0.00 O ATOM 0 H LYS A 60 3.283 -2.692 6.492 1.00 0.00 H new ATOM 0 HA LYS A 60 3.303 -5.036 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.134 -6.157 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.153 -4.846 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.233 -3.351 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.150 -4.619 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.054 -4.618 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.165 -6.065 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.825 -4.978 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.661 -3.470 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.600 -4.685 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.493 -4.564 10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.652 -6.026 9.544 1.00 0.00 H new