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 180:sc= 0.0467 USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0 X(o=0.047,f=-0.028) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.379 K(o=1.2,f=-3.6!) USER MOD Set 2.2: A 21 THR OG1 : rot -73:sc= 0.817 USER MOD Single : A 1 ARG N :NH3+ -156:sc= 1.77 (180deg=0.791) USER MOD Single : A 4 TYR OH : rot 138:sc= 1.22 USER MOD Single : A 5 SER OG : rot 180:sc= -0.11 USER MOD Single : A 14 THR OG1 : rot -28:sc= 0.0752 USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 0.228 (180deg=-0.0371) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -176:sc= 0 (180deg=-0.0459) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -46:sc= 0.916 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 45 MET CE :methyl -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 50 THR OG1 : rot 170:sc= 1.02 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0498) USER MOD Single : A 59 ASN : amide:sc= 1.09 K(o=1.1,f=-7.6!) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0.149 (180deg=0.0421) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.964 4.370 -0.912 1.00 0.00 N ATOM 2 CA ARG A 1 12.526 3.582 0.191 1.00 0.00 C ATOM 3 C ARG A 1 12.014 2.134 0.115 1.00 0.00 C ATOM 4 O ARG A 1 11.364 1.780 -0.867 1.00 0.00 O ATOM 5 CB ARG A 1 12.230 4.248 1.540 1.00 0.00 C ATOM 6 CG ARG A 1 10.733 4.505 1.780 1.00 0.00 C ATOM 7 CD ARG A 1 10.337 4.134 3.210 1.00 0.00 C ATOM 8 NE ARG A 1 11.297 4.626 4.208 1.00 0.00 N ATOM 9 CZ ARG A 1 11.317 5.849 4.754 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.519 6.822 4.307 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.143 6.093 5.776 1.00 0.00 N ATOM 0 H1 ARG A 1 12.584 5.181 -1.111 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.890 3.775 -1.761 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.019 4.714 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 1 13.611 3.547 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.615 3.617 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.767 5.195 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.506 5.555 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.142 3.923 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.350 4.543 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.257 3.050 3.291 1.00 0.00 H new ATOM 0 HE ARG A 1 12.018 3.973 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.878 6.641 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.551 7.746 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.748 5.352 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.168 7.020 6.201 1.00 0.00 H new ATOM 27 N ILE A 2 12.307 1.311 1.125 1.00 0.00 N ATOM 28 CA ILE A 2 11.926 -0.097 1.197 1.00 0.00 C ATOM 29 C ILE A 2 10.469 -0.203 1.622 1.00 0.00 C ATOM 30 O ILE A 2 10.152 0.228 2.730 1.00 0.00 O ATOM 31 CB ILE A 2 12.807 -0.783 2.262 1.00 0.00 C ATOM 32 CG1 ILE A 2 14.258 -0.929 1.784 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.249 -2.157 2.675 1.00 0.00 C ATOM 34 CD1 ILE A 2 14.434 -2.114 0.839 1.00 0.00 C ATOM 0 H ILE A 2 12.834 1.620 1.942 1.00 0.00 H new ATOM 0 HA ILE A 2 12.059 -0.572 0.225 1.00 0.00 H new ATOM 0 HB ILE A 2 12.793 -0.134 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.567 -0.014 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.913 -1.053 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.901 -2.604 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.249 -2.034 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.202 -2.808 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 2 15.476 -2.178 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.151 -3.033 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.800 -1.978 -0.037 1.00 0.00 H new ATOM 46 N CYS A 3 9.599 -0.790 0.793 1.00 0.00 N ATOM 47 CA CYS A 3 8.191 -0.965 1.144 1.00 0.00 C ATOM 48 C CYS A 3 7.605 -2.149 0.387 1.00 0.00 C ATOM 49 O CYS A 3 8.224 -2.693 -0.530 1.00 0.00 O ATOM 50 CB CYS A 3 7.376 0.290 0.810 1.00 0.00 C ATOM 51 SG CYS A 3 7.812 1.772 1.737 1.00 0.00 S ATOM 0 H CYS A 3 9.849 -1.152 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 3 8.138 -1.146 2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.489 0.502 -0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.322 0.073 0.982 1.00 0.00 H new ATOM 56 N TYR A 4 6.401 -2.549 0.795 1.00 0.00 N ATOM 57 CA TYR A 4 5.650 -3.612 0.163 1.00 0.00 C ATOM 58 C TYR A 4 4.997 -3.041 -1.091 1.00 0.00 C ATOM 59 O TYR A 4 4.634 -1.862 -1.126 1.00 0.00 O ATOM 60 CB TYR A 4 4.613 -4.181 1.131 1.00 0.00 C ATOM 61 CG TYR A 4 5.172 -5.119 2.189 1.00 0.00 C ATOM 62 CD1 TYR A 4 6.240 -4.727 3.025 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.553 -6.366 2.399 1.00 0.00 C ATOM 64 CE1 TYR A 4 6.638 -5.544 4.096 1.00 0.00 C ATOM 65 CE2 TYR A 4 4.948 -7.172 3.477 1.00 0.00 C ATOM 66 CZ TYR A 4 5.946 -6.735 4.359 1.00 0.00 C ATOM 67 OH TYR A 4 6.153 -7.392 5.532 1.00 0.00 O ATOM 0 H TYR A 4 5.919 -2.130 1.590 1.00 0.00 H new ATOM 0 HA TYR A 4 6.307 -4.436 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.110 -3.353 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.856 -4.715 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 4 6.753 -3.795 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.774 -6.702 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.475 -5.256 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.481 -8.134 3.628 1.00 0.00 H new ATOM 0 HH TYR A 4 5.295 -7.705 5.887 1.00 0.00 H new ATOM 77 N SER A 5 4.871 -3.850 -2.143 1.00 0.00 N ATOM 78 CA SER A 5 4.276 -3.408 -3.395 1.00 0.00 C ATOM 79 C SER A 5 3.695 -4.583 -4.175 1.00 0.00 C ATOM 80 O SER A 5 4.378 -5.587 -4.353 1.00 0.00 O ATOM 81 CB SER A 5 5.334 -2.707 -4.257 1.00 0.00 C ATOM 82 OG SER A 5 5.960 -1.644 -3.564 1.00 0.00 O ATOM 0 H SER A 5 5.178 -4.823 -2.148 1.00 0.00 H new ATOM 0 HA SER A 5 3.470 -2.715 -3.156 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.087 -3.431 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.867 -2.324 -5.164 1.00 0.00 H new ATOM 0 HG SER A 5 6.628 -1.223 -4.145 1.00 0.00 H new ATOM 215 N THR A 14 7.827 -7.181 -2.043 1.00 0.00 N ATOM 216 CA THR A 14 8.501 -6.098 -1.347 1.00 0.00 C ATOM 217 C THR A 14 9.660 -5.607 -2.196 1.00 0.00 C ATOM 218 O THR A 14 10.353 -6.446 -2.771 1.00 0.00 O ATOM 219 CB THR A 14 9.005 -6.606 0.008 1.00 0.00 C ATOM 220 OG1 THR A 14 9.940 -7.653 -0.180 1.00 0.00 O ATOM 221 CG2 THR A 14 7.874 -7.156 0.879 1.00 0.00 C ATOM 0 HA THR A 14 7.811 -5.271 -1.178 1.00 0.00 H new ATOM 0 HB THR A 14 9.460 -5.750 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.747 -8.117 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.282 -7.503 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.142 -6.370 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.391 -7.987 0.366 1.00 0.00 H new ATOM 229 N LYS A 15 9.900 -4.293 -2.253 1.00 0.00 N ATOM 230 CA LYS A 15 10.980 -3.769 -3.072 1.00 0.00 C ATOM 231 C LYS A 15 11.504 -2.429 -2.559 1.00 0.00 C ATOM 232 O LYS A 15 10.866 -1.741 -1.757 1.00 0.00 O ATOM 233 CB LYS A 15 10.493 -3.636 -4.525 1.00 0.00 C ATOM 234 CG LYS A 15 9.322 -2.650 -4.658 1.00 0.00 C ATOM 235 CD LYS A 15 8.807 -2.533 -6.100 1.00 0.00 C ATOM 236 CE LYS A 15 9.874 -2.089 -7.112 1.00 0.00 C ATOM 237 NZ LYS A 15 10.539 -0.837 -6.711 1.00 0.00 N ATOM 0 H LYS A 15 9.365 -3.587 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 15 11.813 -4.470 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.319 -3.303 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.185 -4.614 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.506 -2.971 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.638 -1.667 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.406 -3.498 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.981 -1.822 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.620 -2.876 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.411 -1.955 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.655 -0.224 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.959 -0.349 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.473 -1.054 -6.308 1.00 0.00 H new ATOM 251 N THR A 16 12.683 -2.075 -3.071 1.00 0.00 N ATOM 252 CA THR A 16 13.378 -0.833 -2.813 1.00 0.00 C ATOM 253 C THR A 16 12.868 0.198 -3.817 1.00 0.00 C ATOM 254 O THR A 16 13.414 0.335 -4.909 1.00 0.00 O ATOM 255 CB THR A 16 14.891 -1.069 -2.953 1.00 0.00 C ATOM 256 OG1 THR A 16 15.237 -2.266 -2.284 1.00 0.00 O ATOM 257 CG2 THR A 16 15.683 0.093 -2.346 1.00 0.00 C ATOM 0 H THR A 16 13.197 -2.684 -3.708 1.00 0.00 H new ATOM 0 HA THR A 16 13.193 -0.466 -1.803 1.00 0.00 H new ATOM 0 HB THR A 16 15.136 -1.142 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.200 -2.423 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.751 -0.097 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.424 1.018 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.439 0.186 -1.288 1.00 0.00 H new ATOM 265 N CYS A 17 11.793 0.905 -3.474 1.00 0.00 N ATOM 266 CA CYS A 17 11.266 1.960 -4.328 1.00 0.00 C ATOM 267 C CYS A 17 12.130 3.196 -4.115 1.00 0.00 C ATOM 268 O CYS A 17 12.883 3.257 -3.142 1.00 0.00 O ATOM 269 CB CYS A 17 9.824 2.283 -3.934 1.00 0.00 C ATOM 270 SG CYS A 17 8.622 0.989 -4.286 1.00 0.00 S ATOM 0 H CYS A 17 11.271 0.764 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 17 11.280 1.644 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.797 2.501 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.518 3.191 -4.453 1.00 0.00 H new ATOM 275 N VAL A 18 12.002 4.215 -4.962 1.00 0.00 N ATOM 276 CA VAL A 18 12.741 5.452 -4.754 1.00 0.00 C ATOM 277 C VAL A 18 12.000 6.239 -3.667 1.00 0.00 C ATOM 278 O VAL A 18 12.533 6.468 -2.579 1.00 0.00 O ATOM 279 CB VAL A 18 12.856 6.231 -6.078 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.617 7.549 -5.874 1.00 0.00 C ATOM 281 CG2 VAL A 18 13.596 5.393 -7.130 1.00 0.00 C ATOM 0 H VAL A 18 11.402 4.208 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 18 13.763 5.263 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 18 11.845 6.447 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.685 8.081 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.087 8.167 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.620 7.336 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.669 5.958 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.597 5.158 -6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.048 4.468 -7.309 1.00 0.00 H new ATOM 291 N GLU A 19 10.736 6.555 -3.962 1.00 0.00 N ATOM 292 CA GLU A 19 9.787 7.346 -3.193 1.00 0.00 C ATOM 293 C GLU A 19 9.962 7.238 -1.681 1.00 0.00 C ATOM 294 O GLU A 19 10.021 6.144 -1.115 1.00 0.00 O ATOM 295 CB GLU A 19 8.352 6.938 -3.546 1.00 0.00 C ATOM 296 CG GLU A 19 8.077 6.990 -5.054 1.00 0.00 C ATOM 297 CD GLU A 19 8.280 5.640 -5.745 1.00 0.00 C ATOM 298 OE1 GLU A 19 9.449 5.332 -6.070 1.00 0.00 O ATOM 299 OE2 GLU A 19 7.266 4.932 -5.918 1.00 0.00 O ATOM 0 H GLU A 19 10.316 6.228 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 19 9.986 8.382 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.165 5.928 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.654 7.597 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.054 7.327 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.734 7.729 -5.512 1.00 0.00 H new ATOM 306 N ASN A 20 9.992 8.400 -1.034 1.00 0.00 N ATOM 307 CA ASN A 20 10.093 8.521 0.410 1.00 0.00 C ATOM 308 C ASN A 20 8.827 8.003 1.090 1.00 0.00 C ATOM 309 O ASN A 20 8.883 7.569 2.238 1.00 0.00 O ATOM 310 CB ASN A 20 10.317 9.993 0.791 1.00 0.00 C ATOM 311 CG ASN A 20 9.095 10.883 0.536 1.00 0.00 C ATOM 312 OD1 ASN A 20 8.323 10.660 -0.396 1.00 0.00 O ATOM 313 ND2 ASN A 20 8.895 11.901 1.366 1.00 0.00 N ATOM 0 H ASN A 20 9.946 9.300 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 20 10.937 7.920 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.585 10.050 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.164 10.382 0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.090 12.514 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.546 12.069 2.133 1.00 0.00 H new ATOM 320 N THR A 21 7.693 8.056 0.392 1.00 0.00 N ATOM 321 CA THR A 21 6.391 7.710 0.923 1.00 0.00 C ATOM 322 C THR A 21 5.912 6.391 0.334 1.00 0.00 C ATOM 323 O THR A 21 6.318 6.021 -0.768 1.00 0.00 O ATOM 324 CB THR A 21 5.415 8.847 0.581 1.00 0.00 C ATOM 325 OG1 THR A 21 5.753 9.418 -0.672 1.00 0.00 O ATOM 326 CG2 THR A 21 5.456 9.950 1.640 1.00 0.00 C ATOM 0 H THR A 21 7.662 8.350 -0.584 1.00 0.00 H new ATOM 0 HA THR A 21 6.447 7.586 2.004 1.00 0.00 H new ATOM 0 HB THR A 21 4.413 8.419 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.564 9.959 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.755 10.740 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.179 9.535 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.463 10.363 1.697 1.00 0.00 H new ATOM 334 N CYS A 22 5.041 5.687 1.061 1.00 0.00 N ATOM 335 CA CYS A 22 4.449 4.430 0.633 1.00 0.00 C ATOM 336 C CYS A 22 3.037 4.356 1.177 1.00 0.00 C ATOM 337 O CYS A 22 2.622 5.244 1.923 1.00 0.00 O ATOM 338 CB CYS A 22 5.274 3.242 1.132 1.00 0.00 C ATOM 339 SG CYS A 22 6.986 3.254 0.574 1.00 0.00 S ATOM 0 H CYS A 22 4.725 5.987 1.983 1.00 0.00 H new ATOM 0 HA CYS A 22 4.433 4.386 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.258 3.234 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.800 2.318 0.799 1.00 0.00 H new ATOM 344 N TYR A 23 2.301 3.311 0.797 1.00 0.00 N ATOM 345 CA TYR A 23 0.931 3.126 1.222 1.00 0.00 C ATOM 346 C TYR A 23 0.544 1.666 1.326 1.00 0.00 C ATOM 347 O TYR A 23 1.203 0.765 0.786 1.00 0.00 O ATOM 348 CB TYR A 23 -0.021 3.782 0.215 1.00 0.00 C ATOM 349 CG TYR A 23 -0.035 3.113 -1.152 1.00 0.00 C ATOM 350 CD1 TYR A 23 -0.929 2.056 -1.413 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.851 3.528 -2.161 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.016 1.497 -2.697 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.727 3.004 -3.460 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.227 2.013 -3.736 1.00 0.00 C ATOM 355 OH TYR A 23 -0.315 1.493 -4.992 1.00 0.00 O ATOM 0 H TYR A 23 2.647 2.573 0.184 1.00 0.00 H new ATOM 0 HA TYR A 23 0.852 3.583 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.031 3.769 0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.260 4.828 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.552 1.673 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.625 4.248 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.688 0.673 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.369 3.366 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 23 0.301 1.970 -5.587 1.00 0.00 H new ATOM 365 N LYS A 24 -0.596 1.498 1.993 1.00 0.00 N ATOM 366 CA LYS A 24 -1.338 0.261 2.051 1.00 0.00 C ATOM 367 C LYS A 24 -2.776 0.630 1.698 1.00 0.00 C ATOM 368 O LYS A 24 -3.331 1.607 2.207 1.00 0.00 O ATOM 369 CB LYS A 24 -1.156 -0.492 3.377 1.00 0.00 C ATOM 370 CG LYS A 24 -1.631 0.280 4.607 1.00 0.00 C ATOM 371 CD LYS A 24 -1.575 -0.561 5.890 1.00 0.00 C ATOM 372 CE LYS A 24 -0.152 -1.021 6.220 1.00 0.00 C ATOM 373 NZ LYS A 24 -0.089 -1.703 7.525 1.00 0.00 N ATOM 0 H LYS A 24 -1.035 2.251 2.523 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.964 -0.473 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.698 -1.436 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.101 -0.737 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.014 1.170 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.654 0.621 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.968 0.023 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.220 -1.433 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.203 -1.694 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.517 -0.160 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.889 -2.000 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.404 -1.052 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.708 -2.539 7.510 1.00 0.00 H new ATOM 387 N MET A 25 -3.319 -0.103 0.733 1.00 0.00 N ATOM 388 CA MET A 25 -4.643 0.101 0.184 1.00 0.00 C ATOM 389 C MET A 25 -5.595 -0.915 0.799 1.00 0.00 C ATOM 390 O MET A 25 -5.396 -2.125 0.650 1.00 0.00 O ATOM 391 CB MET A 25 -4.591 -0.026 -1.332 1.00 0.00 C ATOM 392 CG MET A 25 -5.930 0.327 -1.995 1.00 0.00 C ATOM 393 SD MET A 25 -6.077 -0.067 -3.758 1.00 0.00 S ATOM 394 CE MET A 25 -4.700 0.883 -4.438 1.00 0.00 C ATOM 0 H MET A 25 -2.826 -0.883 0.299 1.00 0.00 H new ATOM 0 HA MET A 25 -5.005 1.101 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.812 0.629 -1.722 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.314 -1.046 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.725 -0.193 -1.460 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.105 1.395 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.702 0.800 -5.525 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.805 1.930 -4.154 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.761 0.494 -4.046 1.00 0.00 H new ATOM 404 N PHE A 26 -6.640 -0.418 1.458 1.00 0.00 N ATOM 405 CA PHE A 26 -7.682 -1.206 2.092 1.00 0.00 C ATOM 406 C PHE A 26 -9.016 -0.843 1.447 1.00 0.00 C ATOM 407 O PHE A 26 -9.119 0.172 0.756 1.00 0.00 O ATOM 408 CB PHE A 26 -7.663 -0.962 3.607 1.00 0.00 C ATOM 409 CG PHE A 26 -7.943 0.465 4.040 1.00 0.00 C ATOM 410 CD1 PHE A 26 -6.940 1.448 3.962 1.00 0.00 C ATOM 411 CD2 PHE A 26 -9.184 0.785 4.617 1.00 0.00 C ATOM 412 CE1 PHE A 26 -7.208 2.760 4.386 1.00 0.00 C ATOM 413 CE2 PHE A 26 -9.407 2.064 5.151 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.428 3.062 5.014 1.00 0.00 C ATOM 0 H PHE A 26 -6.785 0.586 1.566 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.518 -2.274 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.400 -1.616 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.687 -1.256 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.964 1.194 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.969 0.044 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.475 3.538 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.331 2.281 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.612 4.058 5.390 1.00 0.00 H new ATOM 424 N ILE A 27 -10.031 -1.689 1.611 1.00 0.00 N ATOM 425 CA ILE A 27 -11.330 -1.426 1.003 1.00 0.00 C ATOM 426 C ILE A 27 -12.025 -0.307 1.785 1.00 0.00 C ATOM 427 O ILE A 27 -11.878 -0.198 3.000 1.00 0.00 O ATOM 428 CB ILE A 27 -12.164 -2.719 0.944 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.414 -3.781 0.120 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.537 -2.449 0.309 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.158 -5.117 0.026 1.00 0.00 C ATOM 0 H ILE A 27 -9.979 -2.552 2.153 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.209 -1.090 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.315 -3.082 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.245 -3.397 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.434 -3.950 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.111 -3.375 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.074 -1.710 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.401 -2.070 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.573 -5.818 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.304 -5.523 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.127 -4.961 -0.447 1.00 0.00 H new ATOM 443 N ARG A 28 -12.779 0.538 1.080 1.00 0.00 N ATOM 444 CA ARG A 28 -13.483 1.665 1.668 1.00 0.00 C ATOM 445 C ARG A 28 -14.546 1.196 2.650 1.00 0.00 C ATOM 446 O ARG A 28 -14.512 1.523 3.834 1.00 0.00 O ATOM 447 CB ARG A 28 -14.104 2.500 0.541 1.00 0.00 C ATOM 448 CG ARG A 28 -14.799 3.769 1.052 1.00 0.00 C ATOM 449 CD ARG A 28 -15.327 4.599 -0.124 1.00 0.00 C ATOM 450 NE ARG A 28 -16.229 3.820 -0.986 1.00 0.00 N ATOM 451 CZ ARG A 28 -17.503 3.510 -0.707 1.00 0.00 C ATOM 452 NH1 ARG A 28 -18.064 3.909 0.439 1.00 0.00 N ATOM 453 NH2 ARG A 28 -18.215 2.800 -1.588 1.00 0.00 N ATOM 0 H ARG A 28 -12.916 0.453 0.073 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.779 2.279 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.325 2.779 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.826 1.890 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.622 3.499 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.099 4.363 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.855 5.473 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.488 4.966 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.852 3.487 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.522 4.454 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.034 3.668 0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.788 2.499 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.185 2.560 -1.384 1.00 0.00 H new ATOM 467 N THR A 29 -15.515 0.457 2.121 1.00 0.00 N ATOM 468 CA THR A 29 -16.627 -0.089 2.875 1.00 0.00 C ATOM 469 C THR A 29 -16.090 -1.006 3.973 1.00 0.00 C ATOM 470 O THR A 29 -16.293 -0.783 5.166 1.00 0.00 O ATOM 471 CB THR A 29 -17.529 -0.863 1.901 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.725 -1.714 1.102 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.285 0.097 0.978 1.00 0.00 C ATOM 0 H THR A 29 -15.545 0.218 1.130 1.00 0.00 H new ATOM 0 HA THR A 29 -17.206 0.704 3.349 1.00 0.00 H new ATOM 0 HB THR A 29 -18.249 -1.441 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.295 -2.212 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.917 -0.474 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.906 0.764 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.571 0.686 0.402 1.00 0.00 H new ATOM 481 N HIS A 30 -15.388 -2.052 3.546 1.00 0.00 N ATOM 482 CA HIS A 30 -14.812 -3.060 4.407 1.00 0.00 C ATOM 483 C HIS A 30 -13.475 -2.538 4.920 1.00 0.00 C ATOM 484 O HIS A 30 -12.417 -3.048 4.565 1.00 0.00 O ATOM 485 CB HIS A 30 -14.693 -4.367 3.617 1.00 0.00 C ATOM 486 CG HIS A 30 -15.934 -4.719 2.836 1.00 0.00 C ATOM 487 ND1 HIS A 30 -17.215 -4.551 3.342 1.00 0.00 N ATOM 488 CD2 HIS A 30 -16.109 -5.183 1.556 1.00 0.00 C ATOM 489 CE1 HIS A 30 -18.076 -4.875 2.364 1.00 0.00 C ATOM 490 NE2 HIS A 30 -17.463 -5.259 1.242 1.00 0.00 N ATOM 0 H HIS A 30 -15.203 -2.219 2.557 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.436 -3.269 5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.851 -4.290 2.929 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.467 -5.179 4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.307 -5.452 0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -19.149 -4.830 2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.888 -5.542 0.359 1.00 0.00 H new ATOM 498 N ARG A 31 -13.550 -1.512 5.770 1.00 0.00 N ATOM 499 CA ARG A 31 -12.409 -0.838 6.365 1.00 0.00 C ATOM 500 C ARG A 31 -11.357 -1.843 6.838 1.00 0.00 C ATOM 501 O ARG A 31 -10.174 -1.736 6.517 1.00 0.00 O ATOM 502 CB ARG A 31 -12.909 0.018 7.533 1.00 0.00 C ATOM 503 CG ARG A 31 -13.810 1.166 7.052 1.00 0.00 C ATOM 504 CD ARG A 31 -14.427 1.943 8.223 1.00 0.00 C ATOM 505 NE ARG A 31 -15.094 1.070 9.202 1.00 0.00 N ATOM 506 CZ ARG A 31 -16.228 0.379 9.006 1.00 0.00 C ATOM 507 NH1 ARG A 31 -16.872 0.428 7.836 1.00 0.00 N ATOM 508 NH2 ARG A 31 -16.714 -0.373 9.998 1.00 0.00 N ATOM 0 H ARG A 31 -14.442 -1.118 6.070 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.931 -0.204 5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.461 -0.609 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.057 0.427 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.228 1.848 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.606 0.764 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.646 2.514 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.148 2.663 7.835 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.652 0.981 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.503 0.997 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.733 -0.104 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.224 -0.417 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.575 -0.903 9.862 1.00 0.00 H new ATOM 522 N GLU A 32 -11.805 -2.854 7.581 1.00 0.00 N ATOM 523 CA GLU A 32 -10.940 -3.887 8.130 1.00 0.00 C ATOM 524 C GLU A 32 -10.665 -4.954 7.061 1.00 0.00 C ATOM 525 O GLU A 32 -10.950 -6.132 7.268 1.00 0.00 O ATOM 526 CB GLU A 32 -11.601 -4.455 9.397 1.00 0.00 C ATOM 527 CG GLU A 32 -10.609 -5.236 10.270 1.00 0.00 C ATOM 528 CD GLU A 32 -11.284 -5.760 11.533 1.00 0.00 C ATOM 529 OE1 GLU A 32 -11.446 -4.945 12.467 1.00 0.00 O ATOM 530 OE2 GLU A 32 -11.633 -6.960 11.540 1.00 0.00 O ATOM 0 H GLU A 32 -12.789 -2.977 7.819 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.970 -3.480 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.029 -3.638 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.425 -5.109 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.197 -6.070 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.773 -4.592 10.541 1.00 0.00 H new ATOM 537 N TYR A 33 -10.117 -4.548 5.912 1.00 0.00 N ATOM 538 CA TYR A 33 -9.789 -5.464 4.829 1.00 0.00 C ATOM 539 C TYR A 33 -8.729 -4.830 3.927 1.00 0.00 C ATOM 540 O TYR A 33 -9.009 -3.875 3.201 1.00 0.00 O ATOM 541 CB TYR A 33 -11.050 -5.835 4.033 1.00 0.00 C ATOM 542 CG TYR A 33 -10.877 -7.088 3.197 1.00 0.00 C ATOM 543 CD1 TYR A 33 -10.181 -7.035 1.975 1.00 0.00 C ATOM 544 CD2 TYR A 33 -11.348 -8.324 3.677 1.00 0.00 C ATOM 545 CE1 TYR A 33 -9.965 -8.208 1.233 1.00 0.00 C ATOM 546 CE2 TYR A 33 -11.138 -9.496 2.930 1.00 0.00 C ATOM 547 CZ TYR A 33 -10.443 -9.439 1.712 1.00 0.00 C ATOM 548 OH TYR A 33 -10.226 -10.582 1.003 1.00 0.00 O ATOM 0 H TYR A 33 -9.890 -3.574 5.712 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.384 -6.386 5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.880 -5.978 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.318 -5.004 3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.812 -6.089 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.871 -8.372 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.432 -8.163 0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.512 -10.442 3.294 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.622 -11.342 1.478 1.00 0.00 H new ATOM 558 N ILE A 34 -7.509 -5.372 3.970 1.00 0.00 N ATOM 559 CA ILE A 34 -6.395 -4.919 3.148 1.00 0.00 C ATOM 560 C ILE A 34 -6.581 -5.520 1.753 1.00 0.00 C ATOM 561 O ILE A 34 -7.091 -6.632 1.628 1.00 0.00 O ATOM 562 CB ILE A 34 -5.061 -5.372 3.770 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.911 -4.928 5.240 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.877 -4.842 2.946 1.00 0.00 C ATOM 565 CD1 ILE A 34 -5.061 -3.421 5.475 1.00 0.00 C ATOM 0 H ILE A 34 -7.269 -6.148 4.587 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.373 -3.831 3.086 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.063 -6.462 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.655 -5.451 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.932 -5.242 5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.942 -5.171 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.942 -5.226 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.907 -3.753 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.940 -3.204 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.300 -2.887 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.050 -3.099 5.149 1.00 0.00 H new ATOM 577 N SER A 35 -6.186 -4.788 0.709 1.00 0.00 N ATOM 578 CA SER A 35 -6.321 -5.220 -0.675 1.00 0.00 C ATOM 579 C SER A 35 -4.973 -5.204 -1.383 1.00 0.00 C ATOM 580 O SER A 35 -4.523 -6.234 -1.877 1.00 0.00 O ATOM 581 CB SER A 35 -7.324 -4.309 -1.386 1.00 0.00 C ATOM 582 OG SER A 35 -6.954 -2.946 -1.351 1.00 0.00 O ATOM 0 H SER A 35 -5.758 -3.867 0.807 1.00 0.00 H new ATOM 0 HA SER A 35 -6.688 -6.246 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.422 -4.626 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.304 -4.426 -0.923 1.00 0.00 H new ATOM 0 HG SER A 35 -6.672 -2.707 -0.443 1.00 0.00 H new ATOM 588 N GLU A 36 -4.354 -4.025 -1.444 1.00 0.00 N ATOM 589 CA GLU A 36 -3.084 -3.818 -2.141 1.00 0.00 C ATOM 590 C GLU A 36 -2.097 -3.020 -1.294 1.00 0.00 C ATOM 591 O GLU A 36 -2.437 -2.546 -0.216 1.00 0.00 O ATOM 592 CB GLU A 36 -3.351 -3.093 -3.470 1.00 0.00 C ATOM 593 CG GLU A 36 -3.950 -4.056 -4.495 1.00 0.00 C ATOM 594 CD GLU A 36 -4.261 -3.380 -5.830 1.00 0.00 C ATOM 595 OE1 GLU A 36 -4.066 -2.148 -5.925 1.00 0.00 O ATOM 596 OE2 GLU A 36 -4.678 -4.121 -6.747 1.00 0.00 O ATOM 0 H GLU A 36 -4.723 -3.180 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.633 -4.792 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.032 -2.258 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.421 -2.674 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.256 -4.879 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.865 -4.488 -4.090 1.00 0.00 H new ATOM 603 N ARG A 37 -0.860 -2.887 -1.781 1.00 0.00 N ATOM 604 CA ARG A 37 0.183 -2.066 -1.175 1.00 0.00 C ATOM 605 C ARG A 37 1.029 -1.474 -2.285 1.00 0.00 C ATOM 606 O ARG A 37 1.109 -2.061 -3.367 1.00 0.00 O ATOM 607 CB ARG A 37 1.136 -2.847 -0.258 1.00 0.00 C ATOM 608 CG ARG A 37 0.688 -2.971 1.191 1.00 0.00 C ATOM 609 CD ARG A 37 -0.186 -4.174 1.546 1.00 0.00 C ATOM 610 NE ARG A 37 -0.506 -4.165 2.977 1.00 0.00 N ATOM 611 CZ ARG A 37 0.338 -4.546 3.944 1.00 0.00 C ATOM 612 NH1 ARG A 37 1.589 -4.904 3.661 1.00 0.00 N ATOM 613 NH2 ARG A 37 -0.044 -4.581 5.221 1.00 0.00 N ATOM 0 H ARG A 37 -0.552 -3.361 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.327 -1.317 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.268 -3.849 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.112 -2.363 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.578 -3.002 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.142 -2.066 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.105 -4.150 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.332 -5.098 1.288 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.435 -3.847 3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.917 -4.891 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.219 -5.192 4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.995 -4.314 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.615 -4.874 5.942 1.00 0.00 H new ATOM 627 N GLY A 38 1.693 -0.353 -1.997 1.00 0.00 N ATOM 628 CA GLY A 38 2.564 0.253 -2.992 1.00 0.00 C ATOM 629 C GLY A 38 3.373 1.417 -2.445 1.00 0.00 C ATOM 630 O GLY A 38 3.377 1.681 -1.243 1.00 0.00 O ATOM 0 H GLY A 38 1.644 0.140 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.245 -0.505 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.961 0.600 -3.831 1.00 0.00 H new ATOM 634 N CYS A 39 4.051 2.114 -3.360 1.00 0.00 N ATOM 635 CA CYS A 39 4.962 3.207 -3.092 1.00 0.00 C ATOM 636 C CYS A 39 4.428 4.523 -3.661 1.00 0.00 C ATOM 637 O CYS A 39 3.590 4.517 -4.558 1.00 0.00 O ATOM 638 CB CYS A 39 6.298 2.850 -3.729 1.00 0.00 C ATOM 639 SG CYS A 39 7.120 1.453 -2.940 1.00 0.00 S ATOM 0 H CYS A 39 3.968 1.913 -4.357 1.00 0.00 H new ATOM 0 HA CYS A 39 5.073 3.349 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.139 2.620 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.955 3.719 -3.688 1.00 0.00 H new ATOM 644 N GLY A 40 4.915 5.647 -3.130 1.00 0.00 N ATOM 645 CA GLY A 40 4.573 6.997 -3.554 1.00 0.00 C ATOM 646 C GLY A 40 3.085 7.289 -3.536 1.00 0.00 C ATOM 647 O GLY A 40 2.420 7.471 -4.551 1.00 0.00 O ATOM 0 H GLY A 40 5.586 5.635 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.081 7.711 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.952 7.157 -4.563 1.00 0.00 H new ATOM 651 N CYS A 41 2.642 7.350 -2.298 1.00 0.00 N ATOM 652 CA CYS A 41 1.302 7.628 -1.778 1.00 0.00 C ATOM 653 C CYS A 41 0.342 8.269 -2.802 1.00 0.00 C ATOM 654 O CYS A 41 0.330 9.493 -2.939 1.00 0.00 O ATOM 655 CB CYS A 41 1.444 8.567 -0.578 1.00 0.00 C ATOM 656 SG CYS A 41 -0.144 9.101 0.100 1.00 0.00 S ATOM 0 H CYS A 41 3.290 7.186 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 41 0.861 6.668 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.015 8.064 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.017 9.444 -0.877 1.00 0.00 H new ATOM 661 N PRO A 42 -0.471 7.471 -3.514 1.00 0.00 N ATOM 662 CA PRO A 42 -1.441 7.949 -4.479 1.00 0.00 C ATOM 663 C PRO A 42 -2.863 7.894 -3.924 1.00 0.00 C ATOM 664 O PRO A 42 -3.147 7.276 -2.894 1.00 0.00 O ATOM 665 CB PRO A 42 -1.328 6.979 -5.651 1.00 0.00 C ATOM 666 CG PRO A 42 -1.071 5.646 -4.942 1.00 0.00 C ATOM 667 CD PRO A 42 -0.335 6.034 -3.653 1.00 0.00 C ATOM 0 HA PRO A 42 -1.247 8.987 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.239 6.954 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.513 7.246 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.004 5.125 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.468 4.978 -5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.763 5.519 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.715 5.748 -3.706 1.00 0.00 H new ATOM 675 N THR A 43 -3.774 8.520 -4.664 1.00 0.00 N ATOM 676 CA THR A 43 -5.193 8.510 -4.372 1.00 0.00 C ATOM 677 C THR A 43 -5.740 7.128 -4.733 1.00 0.00 C ATOM 678 O THR A 43 -5.404 6.578 -5.781 1.00 0.00 O ATOM 679 CB THR A 43 -5.896 9.606 -5.193 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.946 10.368 -5.922 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.678 10.537 -4.264 1.00 0.00 C ATOM 0 H THR A 43 -3.536 9.057 -5.498 1.00 0.00 H new ATOM 0 HA THR A 43 -5.373 8.711 -3.316 1.00 0.00 H new ATOM 0 HB THR A 43 -6.581 9.124 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.409 11.059 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.172 11.309 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.427 9.962 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.993 11.004 -3.556 1.00 0.00 H new ATOM 689 N ALA A 44 -6.581 6.564 -3.871 1.00 0.00 N ATOM 690 CA ALA A 44 -7.168 5.258 -4.114 1.00 0.00 C ATOM 691 C ALA A 44 -8.331 5.375 -5.096 1.00 0.00 C ATOM 692 O ALA A 44 -9.067 6.360 -5.079 1.00 0.00 O ATOM 693 CB ALA A 44 -7.669 4.671 -2.799 1.00 0.00 C ATOM 0 H ALA A 44 -6.870 6.997 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.408 4.604 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.109 3.691 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.835 4.570 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.421 5.332 -2.369 1.00 0.00 H new ATOM 699 N MET A 45 -8.489 4.366 -5.954 1.00 0.00 N ATOM 700 CA MET A 45 -9.613 4.279 -6.864 1.00 0.00 C ATOM 701 C MET A 45 -10.822 3.807 -6.055 1.00 0.00 C ATOM 702 O MET A 45 -10.668 3.207 -4.993 1.00 0.00 O ATOM 703 CB MET A 45 -9.275 3.286 -7.982 1.00 0.00 C ATOM 704 CG MET A 45 -8.141 3.796 -8.883 1.00 0.00 C ATOM 705 SD MET A 45 -8.451 5.343 -9.778 1.00 0.00 S ATOM 706 CE MET A 45 -9.704 4.798 -10.959 1.00 0.00 C ATOM 0 H MET A 45 -7.834 3.588 -6.031 1.00 0.00 H new ATOM 0 HA MET A 45 -9.834 5.242 -7.324 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.987 2.331 -7.543 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.164 3.104 -8.586 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.251 3.930 -8.268 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.910 3.020 -9.613 1.00 0.00 H new ATOM 0 HE1 MET A 45 -9.963 5.624 -11.622 1.00 0.00 H new ATOM 0 HE2 MET A 45 -9.312 3.969 -11.548 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.594 4.472 -10.421 1.00 0.00 H new ATOM 716 N TRP A 46 -12.039 4.067 -6.527 1.00 0.00 N ATOM 717 CA TRP A 46 -13.218 3.618 -5.805 1.00 0.00 C ATOM 718 C TRP A 46 -13.343 2.092 -5.978 1.00 0.00 C ATOM 719 O TRP A 46 -13.066 1.609 -7.075 1.00 0.00 O ATOM 720 CB TRP A 46 -14.451 4.335 -6.371 1.00 0.00 C ATOM 721 CG TRP A 46 -15.634 4.441 -5.463 1.00 0.00 C ATOM 722 CD1 TRP A 46 -15.660 4.980 -4.224 1.00 0.00 C ATOM 723 CD2 TRP A 46 -17.001 4.057 -5.754 1.00 0.00 C ATOM 724 NE1 TRP A 46 -16.938 4.900 -3.708 1.00 0.00 N ATOM 725 CE2 TRP A 46 -17.812 4.344 -4.621 1.00 0.00 C ATOM 726 CE3 TRP A 46 -17.631 3.512 -6.885 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.188 4.070 -4.601 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -19.009 3.224 -6.878 1.00 0.00 C ATOM 729 CH2 TRP A 46 -19.786 3.498 -5.736 1.00 0.00 C ATOM 0 H TRP A 46 -12.229 4.577 -7.390 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.138 3.851 -4.743 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.155 5.342 -6.666 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -14.762 3.816 -7.278 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -14.810 5.409 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.202 5.211 -2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -17.050 3.311 -7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -19.779 4.296 -3.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -19.472 2.791 -7.752 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -20.841 3.268 -5.733 1.00 0.00 H new ATOM 740 N PRO A 47 -13.774 1.309 -4.971 1.00 0.00 N ATOM 741 CA PRO A 47 -14.140 1.683 -3.614 1.00 0.00 C ATOM 742 C PRO A 47 -13.016 1.328 -2.628 1.00 0.00 C ATOM 743 O PRO A 47 -13.231 0.551 -1.697 1.00 0.00 O ATOM 744 CB PRO A 47 -15.408 0.865 -3.354 1.00 0.00 C ATOM 745 CG PRO A 47 -15.066 -0.470 -4.020 1.00 0.00 C ATOM 746 CD PRO A 47 -14.210 -0.058 -5.224 1.00 0.00 C ATOM 0 HA PRO A 47 -14.302 2.753 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.608 0.750 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.290 1.328 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -14.519 -1.128 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.963 -1.006 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.354 -0.724 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -14.785 -0.117 -6.148 1.00 0.00 H new ATOM 754 N TYR A 48 -11.816 1.885 -2.812 1.00 0.00 N ATOM 755 CA TYR A 48 -10.671 1.644 -1.942 1.00 0.00 C ATOM 756 C TYR A 48 -10.253 2.929 -1.240 1.00 0.00 C ATOM 757 O TYR A 48 -10.686 4.022 -1.603 1.00 0.00 O ATOM 758 CB TYR A 48 -9.492 1.115 -2.764 1.00 0.00 C ATOM 759 CG TYR A 48 -9.764 -0.218 -3.429 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.583 -1.417 -2.716 1.00 0.00 C ATOM 761 CD2 TYR A 48 -10.239 -0.256 -4.753 1.00 0.00 C ATOM 762 CE1 TYR A 48 -9.875 -2.649 -3.329 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.527 -1.488 -5.364 1.00 0.00 C ATOM 764 CZ TYR A 48 -10.344 -2.683 -4.652 1.00 0.00 C ATOM 765 OH TYR A 48 -10.644 -3.873 -5.245 1.00 0.00 O ATOM 0 H TYR A 48 -11.614 2.524 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.959 0.906 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.236 1.848 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.622 1.016 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.220 -1.392 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.382 0.664 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.738 -3.570 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.889 -1.515 -6.381 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.956 -3.713 -6.160 1.00 0.00 H new ATOM 775 N GLN A 49 -9.399 2.781 -0.228 1.00 0.00 N ATOM 776 CA GLN A 49 -8.805 3.846 0.540 1.00 0.00 C ATOM 777 C GLN A 49 -7.331 3.514 0.762 1.00 0.00 C ATOM 778 O GLN A 49 -7.002 2.405 1.179 1.00 0.00 O ATOM 779 CB GLN A 49 -9.537 3.969 1.863 1.00 0.00 C ATOM 780 CG GLN A 49 -10.866 4.717 1.704 1.00 0.00 C ATOM 781 CD GLN A 49 -11.579 4.946 3.033 1.00 0.00 C ATOM 782 OE1 GLN A 49 -12.068 6.038 3.300 1.00 0.00 O ATOM 783 NE2 GLN A 49 -11.669 3.925 3.878 1.00 0.00 N ATOM 0 H GLN A 49 -9.094 1.860 0.086 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.882 4.797 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.724 2.975 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.907 4.494 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.681 5.679 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.519 4.151 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.255 3.025 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.152 4.041 4.769 1.00 0.00 H new ATOM 792 N THR A 50 -6.442 4.453 0.444 1.00 0.00 N ATOM 793 CA THR A 50 -5.011 4.340 0.671 1.00 0.00 C ATOM 794 C THR A 50 -4.641 5.061 1.965 1.00 0.00 C ATOM 795 O THR A 50 -4.883 6.259 2.088 1.00 0.00 O ATOM 796 CB THR A 50 -4.224 4.958 -0.502 1.00 0.00 C ATOM 797 OG1 THR A 50 -4.959 5.986 -1.144 1.00 0.00 O ATOM 798 CG2 THR A 50 -3.880 3.883 -1.531 1.00 0.00 C ATOM 0 H THR A 50 -6.709 5.336 0.009 1.00 0.00 H new ATOM 0 HA THR A 50 -4.753 3.284 0.748 1.00 0.00 H new ATOM 0 HB THR A 50 -3.313 5.388 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.378 6.458 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.324 4.332 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.271 3.111 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.799 3.438 -1.913 1.00 0.00 H new ATOM 806 N GLU A 51 -4.061 4.340 2.930 1.00 0.00 N ATOM 807 CA GLU A 51 -3.486 4.956 4.121 1.00 0.00 C ATOM 808 C GLU A 51 -1.983 4.924 3.849 1.00 0.00 C ATOM 809 O GLU A 51 -1.435 3.880 3.484 1.00 0.00 O ATOM 810 CB GLU A 51 -3.920 4.299 5.439 1.00 0.00 C ATOM 811 CG GLU A 51 -3.678 2.797 5.457 1.00 0.00 C ATOM 812 CD GLU A 51 -4.374 2.080 6.611 1.00 0.00 C ATOM 813 OE1 GLU A 51 -4.565 2.730 7.661 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.685 0.884 6.422 1.00 0.00 O ATOM 0 H GLU A 51 -3.979 3.324 2.905 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.844 5.973 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.378 4.760 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.980 4.494 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.022 2.371 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.606 2.611 5.518 1.00 0.00 H new ATOM 821 N CYS A 52 -1.353 6.095 3.928 1.00 0.00 N ATOM 822 CA CYS A 52 0.029 6.309 3.549 1.00 0.00 C ATOM 823 C CYS A 52 0.958 6.433 4.749 1.00 0.00 C ATOM 824 O CYS A 52 0.512 6.596 5.883 1.00 0.00 O ATOM 825 CB CYS A 52 0.086 7.565 2.691 1.00 0.00 C ATOM 826 SG CYS A 52 -0.787 7.418 1.117 1.00 0.00 S ATOM 0 H CYS A 52 -1.810 6.941 4.268 1.00 0.00 H new ATOM 0 HA CYS A 52 0.380 5.440 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.338 8.397 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.129 7.812 2.495 1.00 0.00 H new ATOM 831 N CYS A 53 2.263 6.365 4.479 1.00 0.00 N ATOM 832 CA CYS A 53 3.332 6.452 5.461 1.00 0.00 C ATOM 833 C CYS A 53 4.615 6.913 4.777 1.00 0.00 C ATOM 834 O CYS A 53 4.659 7.021 3.552 1.00 0.00 O ATOM 835 CB CYS A 53 3.599 5.064 6.049 1.00 0.00 C ATOM 836 SG CYS A 53 4.677 4.076 4.977 1.00 0.00 S ATOM 0 H CYS A 53 2.613 6.243 3.529 1.00 0.00 H new ATOM 0 HA CYS A 53 3.036 7.153 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.059 5.168 7.032 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.653 4.542 6.194 1.00 0.00 H new ATOM 841 N LYS A 54 5.669 7.105 5.575 1.00 0.00 N ATOM 842 CA LYS A 54 7.001 7.449 5.147 1.00 0.00 C ATOM 843 C LYS A 54 8.003 6.724 6.056 1.00 0.00 C ATOM 844 O LYS A 54 8.798 7.367 6.741 1.00 0.00 O ATOM 845 CB LYS A 54 7.141 8.975 5.192 1.00 0.00 C ATOM 846 CG LYS A 54 6.565 9.634 6.456 1.00 0.00 C ATOM 847 CD LYS A 54 6.904 11.130 6.456 1.00 0.00 C ATOM 848 CE LYS A 54 6.275 11.858 7.650 1.00 0.00 C ATOM 849 NZ LYS A 54 6.789 11.357 8.938 1.00 0.00 N ATOM 0 H LYS A 54 5.598 7.017 6.589 1.00 0.00 H new ATOM 0 HA LYS A 54 7.202 7.132 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.197 9.232 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.644 9.398 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.484 9.496 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.976 9.158 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.986 11.257 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.552 11.582 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.477 12.926 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.192 11.735 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.416 11.943 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.486 10.371 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.828 11.403 8.939 1.00 0.00 H new ATOM 863 N GLY A 55 7.955 5.385 6.088 1.00 0.00 N ATOM 864 CA GLY A 55 8.856 4.584 6.908 1.00 0.00 C ATOM 865 C GLY A 55 9.225 3.267 6.234 1.00 0.00 C ATOM 866 O GLY A 55 8.420 2.659 5.519 1.00 0.00 O ATOM 0 H GLY A 55 7.290 4.834 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.763 5.153 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.385 4.379 7.870 1.00 0.00 H new ATOM 870 N ASP A 56 10.463 2.829 6.484 1.00 0.00 N ATOM 871 CA ASP A 56 10.976 1.584 5.932 1.00 0.00 C ATOM 872 C ASP A 56 10.041 0.467 6.351 1.00 0.00 C ATOM 873 O ASP A 56 9.619 0.420 7.505 1.00 0.00 O ATOM 874 CB ASP A 56 12.416 1.309 6.378 1.00 0.00 C ATOM 875 CG ASP A 56 12.712 -0.182 6.529 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.753 -0.864 5.485 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.864 -0.623 7.688 1.00 0.00 O ATOM 0 H ASP A 56 11.130 3.329 7.072 1.00 0.00 H new ATOM 0 HA ASP A 56 11.010 1.654 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.105 1.740 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.599 1.810 7.329 1.00 0.00 H new ATOM 882 N ARG A 57 9.722 -0.392 5.383 1.00 0.00 N ATOM 883 CA ARG A 57 8.776 -1.494 5.502 1.00 0.00 C ATOM 884 C ARG A 57 7.583 -1.141 6.413 1.00 0.00 C ATOM 885 O ARG A 57 7.123 -1.994 7.167 1.00 0.00 O ATOM 886 CB ARG A 57 9.538 -2.768 5.920 1.00 0.00 C ATOM 887 CG ARG A 57 10.013 -2.834 7.379 1.00 0.00 C ATOM 888 CD ARG A 57 11.103 -3.896 7.558 1.00 0.00 C ATOM 889 NE ARG A 57 11.235 -4.297 8.966 1.00 0.00 N ATOM 890 CZ ARG A 57 11.792 -3.572 9.948 1.00 0.00 C ATOM 891 NH1 ARG A 57 12.321 -2.366 9.712 1.00 0.00 N ATOM 892 NH2 ARG A 57 11.817 -4.071 11.188 1.00 0.00 N ATOM 0 H ARG A 57 10.137 -0.333 4.453 1.00 0.00 H new ATOM 0 HA ARG A 57 8.317 -1.692 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.895 -3.628 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.409 -2.873 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.396 -1.860 7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.169 -3.062 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.866 -4.769 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.055 -3.506 7.198 1.00 0.00 H new ATOM 0 HE ARG A 57 10.868 -5.214 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.306 -1.978 8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.739 -1.834 10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.416 -4.990 11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.237 -3.533 11.946 1.00 0.00 H new ATOM 906 N CYS A 58 7.050 0.095 6.357 1.00 0.00 N ATOM 907 CA CYS A 58 5.926 0.462 7.222 1.00 0.00 C ATOM 908 C CYS A 58 4.720 -0.444 6.968 1.00 0.00 C ATOM 909 O CYS A 58 4.018 -0.847 7.894 1.00 0.00 O ATOM 910 CB CYS A 58 5.505 1.921 7.000 1.00 0.00 C ATOM 911 SG CYS A 58 4.348 2.156 5.625 1.00 0.00 S ATOM 0 H CYS A 58 7.374 0.836 5.736 1.00 0.00 H new ATOM 0 HA CYS A 58 6.263 0.339 8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.048 2.299 7.914 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.396 2.521 6.818 1.00 0.00 H new ATOM 916 N ASN A 59 4.474 -0.763 5.697 1.00 0.00 N ATOM 917 CA ASN A 59 3.356 -1.568 5.259 1.00 0.00 C ATOM 918 C ASN A 59 3.765 -3.029 5.390 1.00 0.00 C ATOM 919 O ASN A 59 3.924 -3.726 4.399 1.00 0.00 O ATOM 920 CB ASN A 59 2.916 -1.133 3.845 1.00 0.00 C ATOM 921 CG ASN A 59 4.034 -0.913 2.822 1.00 0.00 C ATOM 922 OD1 ASN A 59 5.196 -1.244 3.049 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.709 -0.287 1.692 1.00 0.00 N ATOM 0 H ASN A 59 5.070 -0.455 4.929 1.00 0.00 H new ATOM 0 HA ASN A 59 2.469 -1.427 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.236 -1.889 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.347 -0.208 3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.429 -0.076 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.740 -0.019 1.518 1.00 0.00 H new ATOM 930 N LYS A 60 3.951 -3.448 6.643 1.00 0.00 N ATOM 931 CA LYS A 60 4.378 -4.786 7.038 1.00 0.00 C ATOM 932 C LYS A 60 3.394 -5.873 6.593 1.00 0.00 C ATOM 933 O LYS A 60 3.803 -7.056 6.627 1.00 0.00 O ATOM 934 CB LYS A 60 4.560 -4.838 8.562 1.00 0.00 C ATOM 935 CG LYS A 60 5.630 -3.841 9.020 1.00 0.00 C ATOM 936 CD LYS A 60 5.922 -3.943 10.520 1.00 0.00 C ATOM 937 CE LYS A 60 6.660 -2.689 11.011 1.00 0.00 C ATOM 938 NZ LYS A 60 7.846 -2.380 10.190 1.00 0.00 N ATOM 939 OXT LYS A 60 2.244 -5.541 6.224 1.00 0.00 O ATOM 0 H LYS A 60 3.801 -2.834 7.444 1.00 0.00 H new ATOM 0 HA LYS A 60 5.325 -4.988 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.613 -4.613 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.844 -5.846 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.549 -4.017 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.303 -2.828 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.989 -4.062 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.525 -4.829 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.978 -1.839 10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.966 -2.832 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.386 -1.611 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.446 -3.226 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.543 -2.084 9.240 1.00 0.00 H new