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 20 ASN : amide:sc= 0.285 K(o=0.61,f=-5!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 165:sc= 0.329 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -174:sc= 1.31 (180deg=1.24) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 14 THR OG1 : rot 23:sc= 0.96 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00969 USER MOD Single : A 23 TYR OH : rot 148:sc= 0.974 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -0.0487 (180deg=-0.0765) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 1.14 USER MOD Single : A 30 HIS : no HE2:sc= -0.193 K(o=-0.19,f=-3) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -65:sc= 1.04 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 49 GLN : amide:sc= 1.96 K(o=2,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 170:sc= 1.21 USER MOD Single : A 59 ASN : amide:sc= 1.34 K(o=1.3,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.832 3.915 0.629 1.00 0.00 N ATOM 2 CA ARG A 1 12.622 3.348 1.252 1.00 0.00 C ATOM 3 C ARG A 1 12.330 1.989 0.608 1.00 0.00 C ATOM 4 O ARG A 1 12.837 1.732 -0.481 1.00 0.00 O ATOM 5 CB ARG A 1 11.448 4.331 1.076 1.00 0.00 C ATOM 6 CG ARG A 1 10.073 3.847 1.565 1.00 0.00 C ATOM 7 CD ARG A 1 9.992 3.621 3.080 1.00 0.00 C ATOM 8 NE ARG A 1 10.010 4.900 3.800 1.00 0.00 N ATOM 9 CZ ARG A 1 10.726 5.220 4.885 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.591 4.365 5.443 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.539 6.429 5.421 1.00 0.00 N ATOM 0 H1 ARG A 1 14.101 4.789 1.125 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.610 3.228 0.692 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.640 4.129 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 1 12.769 3.197 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.693 5.253 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.366 4.580 0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.318 4.579 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.825 2.916 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.080 3.075 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.829 3.004 3.405 1.00 0.00 H new ATOM 0 HE ARG A 1 9.405 5.633 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.721 3.436 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.120 4.642 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.868 7.074 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.067 6.707 6.248 1.00 0.00 H new ATOM 27 N ILE A 2 11.574 1.118 1.280 1.00 0.00 N ATOM 28 CA ILE A 2 11.098 -0.162 0.773 1.00 0.00 C ATOM 29 C ILE A 2 9.584 -0.059 0.891 1.00 0.00 C ATOM 30 O ILE A 2 9.125 0.459 1.907 1.00 0.00 O ATOM 31 CB ILE A 2 11.613 -1.338 1.628 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.147 -1.452 1.630 1.00 0.00 C ATOM 33 CG2 ILE A 2 10.991 -2.654 1.136 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.714 -1.970 0.308 1.00 0.00 C ATOM 0 H ILE A 2 11.265 1.298 2.235 1.00 0.00 H new ATOM 0 HA ILE A 2 11.444 -0.353 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 2 11.309 -1.140 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.577 -0.474 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.454 -2.119 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.359 -3.480 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.906 -2.597 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.266 -2.820 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.800 -2.027 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.311 -2.962 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.436 -1.291 -0.498 1.00 0.00 H new ATOM 46 N CYS A 3 8.822 -0.519 -0.101 1.00 0.00 N ATOM 47 CA CYS A 3 7.366 -0.463 -0.075 1.00 0.00 C ATOM 48 C CYS A 3 6.813 -1.774 -0.618 1.00 0.00 C ATOM 49 O CYS A 3 7.340 -2.308 -1.594 1.00 0.00 O ATOM 50 CB CYS A 3 6.860 0.702 -0.940 1.00 0.00 C ATOM 51 SG CYS A 3 7.326 2.376 -0.419 1.00 0.00 S ATOM 0 H CYS A 3 9.202 -0.942 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 3 7.030 -0.309 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.221 0.551 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.772 0.649 -0.977 1.00 0.00 H new ATOM 56 N TYR A 4 5.766 -2.318 0.009 1.00 0.00 N ATOM 57 CA TYR A 4 5.108 -3.508 -0.499 1.00 0.00 C ATOM 58 C TYR A 4 4.470 -3.165 -1.843 1.00 0.00 C ATOM 59 O TYR A 4 4.111 -2.010 -2.083 1.00 0.00 O ATOM 60 CB TYR A 4 4.028 -4.001 0.474 1.00 0.00 C ATOM 61 CG TYR A 4 4.502 -4.916 1.587 1.00 0.00 C ATOM 62 CD1 TYR A 4 4.676 -6.289 1.332 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.625 -4.433 2.902 1.00 0.00 C ATOM 64 CE1 TYR A 4 5.010 -7.165 2.380 1.00 0.00 C ATOM 65 CE2 TYR A 4 4.915 -5.319 3.955 1.00 0.00 C ATOM 66 CZ TYR A 4 5.127 -6.680 3.691 1.00 0.00 C ATOM 67 OH TYR A 4 5.500 -7.523 4.698 1.00 0.00 O ATOM 0 H TYR A 4 5.362 -1.947 0.869 1.00 0.00 H new ATOM 0 HA TYR A 4 5.844 -4.304 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.549 -3.132 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.263 -4.525 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.553 -6.671 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.497 -3.380 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.177 -8.212 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.975 -4.951 4.969 1.00 0.00 H new ATOM 0 HH TYR A 4 5.534 -7.028 5.543 1.00 0.00 H new ATOM 77 N SER A 5 4.354 -4.178 -2.703 1.00 0.00 N ATOM 78 CA SER A 5 3.783 -4.076 -4.039 1.00 0.00 C ATOM 79 C SER A 5 2.698 -5.128 -4.284 1.00 0.00 C ATOM 80 O SER A 5 1.699 -4.816 -4.927 1.00 0.00 O ATOM 81 CB SER A 5 4.901 -4.244 -5.073 1.00 0.00 C ATOM 82 OG SER A 5 5.955 -3.348 -4.796 1.00 0.00 O ATOM 0 H SER A 5 4.667 -5.122 -2.477 1.00 0.00 H new ATOM 0 HA SER A 5 3.316 -3.096 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.271 -5.269 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.511 -4.061 -6.074 1.00 0.00 H new ATOM 0 HG SER A 5 6.803 -3.738 -5.094 1.00 0.00 H new ATOM 215 N THR A 14 8.022 -6.840 -2.529 1.00 0.00 N ATOM 216 CA THR A 14 8.365 -5.552 -1.950 1.00 0.00 C ATOM 217 C THR A 14 9.418 -4.908 -2.845 1.00 0.00 C ATOM 218 O THR A 14 10.377 -5.591 -3.201 1.00 0.00 O ATOM 219 CB THR A 14 8.911 -5.770 -0.532 1.00 0.00 C ATOM 220 OG1 THR A 14 9.994 -6.683 -0.565 1.00 0.00 O ATOM 221 CG2 THR A 14 7.843 -6.339 0.406 1.00 0.00 C ATOM 0 HA THR A 14 7.494 -4.900 -1.884 1.00 0.00 H new ATOM 0 HB THR A 14 9.233 -4.797 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.384 -6.696 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.269 -6.479 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.004 -5.646 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.495 -7.298 0.022 1.00 0.00 H new ATOM 229 N LYS A 15 9.259 -3.626 -3.177 1.00 0.00 N ATOM 230 CA LYS A 15 10.152 -2.902 -4.076 1.00 0.00 C ATOM 231 C LYS A 15 10.869 -1.775 -3.342 1.00 0.00 C ATOM 232 O LYS A 15 10.358 -1.245 -2.355 1.00 0.00 O ATOM 233 CB LYS A 15 9.348 -2.343 -5.262 1.00 0.00 C ATOM 234 CG LYS A 15 8.349 -1.247 -4.857 1.00 0.00 C ATOM 235 CD LYS A 15 7.475 -0.845 -6.050 1.00 0.00 C ATOM 236 CE LYS A 15 6.348 0.081 -5.581 1.00 0.00 C ATOM 237 NZ LYS A 15 5.444 0.432 -6.690 1.00 0.00 N ATOM 0 H LYS A 15 8.493 -3.054 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 15 10.908 -3.593 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.039 -1.940 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.807 -3.159 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.719 -1.605 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.888 -0.376 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.081 -0.342 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.055 -1.734 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.781 -0.406 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.775 0.989 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.692 1.060 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.982 0.918 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.019 -0.434 -7.079 1.00 0.00 H new ATOM 251 N THR A 16 12.050 -1.404 -3.839 1.00 0.00 N ATOM 252 CA THR A 16 12.834 -0.296 -3.326 1.00 0.00 C ATOM 253 C THR A 16 12.325 0.988 -3.977 1.00 0.00 C ATOM 254 O THR A 16 12.087 1.010 -5.183 1.00 0.00 O ATOM 255 CB THR A 16 14.316 -0.536 -3.645 1.00 0.00 C ATOM 256 OG1 THR A 16 14.647 -1.879 -3.353 1.00 0.00 O ATOM 257 CG2 THR A 16 15.218 0.390 -2.823 1.00 0.00 C ATOM 0 H THR A 16 12.491 -1.880 -4.626 1.00 0.00 H new ATOM 0 HA THR A 16 12.733 -0.209 -2.244 1.00 0.00 H new ATOM 0 HB THR A 16 14.475 -0.326 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.593 -2.035 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.261 0.196 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.978 1.428 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.057 0.205 -1.761 1.00 0.00 H new ATOM 265 N CYS A 17 12.144 2.048 -3.188 1.00 0.00 N ATOM 266 CA CYS A 17 11.671 3.335 -3.666 1.00 0.00 C ATOM 267 C CYS A 17 12.446 4.472 -3.006 1.00 0.00 C ATOM 268 O CYS A 17 13.188 4.256 -2.045 1.00 0.00 O ATOM 269 CB CYS A 17 10.187 3.474 -3.382 1.00 0.00 C ATOM 270 SG CYS A 17 9.305 4.390 -4.658 1.00 0.00 S ATOM 0 H CYS A 17 12.326 2.030 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 17 11.835 3.391 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.747 2.481 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.052 3.976 -2.424 1.00 0.00 H new ATOM 275 N VAL A 18 12.232 5.689 -3.503 1.00 0.00 N ATOM 276 CA VAL A 18 12.909 6.897 -3.046 1.00 0.00 C ATOM 277 C VAL A 18 12.039 7.641 -2.032 1.00 0.00 C ATOM 278 O VAL A 18 12.537 8.082 -0.999 1.00 0.00 O ATOM 279 CB VAL A 18 13.231 7.787 -4.262 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.982 9.056 -3.838 1.00 0.00 C ATOM 281 CG2 VAL A 18 14.092 7.028 -5.283 1.00 0.00 C ATOM 0 H VAL A 18 11.565 5.865 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 18 13.842 6.630 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 18 12.279 8.064 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.195 9.664 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.367 9.627 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.918 8.780 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 18 14.306 7.677 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 18 15.028 6.723 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.554 6.145 -5.628 1.00 0.00 H new ATOM 291 N GLU A 19 10.746 7.779 -2.340 1.00 0.00 N ATOM 292 CA GLU A 19 9.773 8.513 -1.542 1.00 0.00 C ATOM 293 C GLU A 19 9.843 8.119 -0.070 1.00 0.00 C ATOM 294 O GLU A 19 10.029 6.952 0.269 1.00 0.00 O ATOM 295 CB GLU A 19 8.358 8.247 -2.045 1.00 0.00 C ATOM 296 CG GLU A 19 8.049 9.007 -3.341 1.00 0.00 C ATOM 297 CD GLU A 19 9.108 8.914 -4.437 1.00 0.00 C ATOM 298 OE1 GLU A 19 9.469 7.766 -4.780 1.00 0.00 O ATOM 299 OE2 GLU A 19 9.554 9.988 -4.894 1.00 0.00 O ATOM 0 H GLU A 19 10.340 7.367 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 19 10.015 9.571 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.230 7.178 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.641 8.537 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.106 8.635 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.899 10.058 -3.096 1.00 0.00 H new ATOM 306 N ASN A 20 9.635 9.107 0.798 1.00 0.00 N ATOM 307 CA ASN A 20 9.628 8.894 2.234 1.00 0.00 C ATOM 308 C ASN A 20 8.444 8.030 2.658 1.00 0.00 C ATOM 309 O ASN A 20 8.526 7.369 3.693 1.00 0.00 O ATOM 310 CB ASN A 20 9.574 10.251 2.947 1.00 0.00 C ATOM 311 CG ASN A 20 9.500 10.108 4.467 1.00 0.00 C ATOM 312 OD1 ASN A 20 8.519 10.497 5.092 1.00 0.00 O ATOM 313 ND2 ASN A 20 10.544 9.564 5.085 1.00 0.00 N ATOM 0 H ASN A 20 9.467 10.074 0.521 1.00 0.00 H new ATOM 0 HA ASN A 20 10.541 8.367 2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.457 10.833 2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.707 10.809 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.540 9.463 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.349 9.248 4.544 1.00 0.00 H new ATOM 320 N THR A 21 7.360 8.029 1.878 1.00 0.00 N ATOM 321 CA THR A 21 6.135 7.344 2.220 1.00 0.00 C ATOM 322 C THR A 21 5.817 6.211 1.250 1.00 0.00 C ATOM 323 O THR A 21 6.209 6.226 0.082 1.00 0.00 O ATOM 324 CB THR A 21 5.007 8.385 2.181 1.00 0.00 C ATOM 325 OG1 THR A 21 5.125 9.160 1.000 1.00 0.00 O ATOM 326 CG2 THR A 21 5.075 9.317 3.394 1.00 0.00 C ATOM 0 H THR A 21 7.320 8.514 0.981 1.00 0.00 H new ATOM 0 HA THR A 21 6.240 6.894 3.207 1.00 0.00 H new ATOM 0 HB THR A 21 4.054 7.857 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.405 9.824 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.265 10.044 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.978 8.732 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.031 9.840 3.398 1.00 0.00 H new ATOM 334 N CYS A 22 5.063 5.240 1.759 1.00 0.00 N ATOM 335 CA CYS A 22 4.472 4.150 1.018 1.00 0.00 C ATOM 336 C CYS A 22 2.979 4.246 1.285 1.00 0.00 C ATOM 337 O CYS A 22 2.541 5.025 2.137 1.00 0.00 O ATOM 338 CB CYS A 22 4.962 2.774 1.475 1.00 0.00 C ATOM 339 SG CYS A 22 6.736 2.487 1.573 1.00 0.00 S ATOM 0 H CYS A 22 4.841 5.198 2.754 1.00 0.00 H new ATOM 0 HA CYS A 22 4.742 4.237 -0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.540 2.582 2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.542 2.030 0.798 1.00 0.00 H new ATOM 344 N TYR A 23 2.196 3.444 0.574 1.00 0.00 N ATOM 345 CA TYR A 23 0.769 3.375 0.782 1.00 0.00 C ATOM 346 C TYR A 23 0.304 1.950 0.643 1.00 0.00 C ATOM 347 O TYR A 23 0.958 1.103 0.023 1.00 0.00 O ATOM 348 CB TYR A 23 0.013 4.230 -0.219 1.00 0.00 C ATOM 349 CG TYR A 23 0.084 3.761 -1.662 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.116 4.174 -2.525 1.00 0.00 C ATOM 351 CD2 TYR A 23 -0.963 2.975 -2.168 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.044 3.874 -3.899 1.00 0.00 C ATOM 353 CE2 TYR A 23 -1.069 2.745 -3.546 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.036 3.135 -4.406 1.00 0.00 C ATOM 355 OH TYR A 23 -0.031 2.718 -5.704 1.00 0.00 O ATOM 0 H TYR A 23 2.540 2.826 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 23 0.566 3.751 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.034 4.270 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.399 5.248 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.962 4.720 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.689 2.546 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.823 4.214 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.950 2.265 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.506 1.864 -5.775 1.00 0.00 H new ATOM 365 N LYS A 24 -0.868 1.752 1.223 1.00 0.00 N ATOM 366 CA LYS A 24 -1.631 0.530 1.174 1.00 0.00 C ATOM 367 C LYS A 24 -3.031 0.948 0.735 1.00 0.00 C ATOM 368 O LYS A 24 -3.592 1.908 1.271 1.00 0.00 O ATOM 369 CB LYS A 24 -1.578 -0.208 2.519 1.00 0.00 C ATOM 370 CG LYS A 24 -1.495 0.708 3.747 1.00 0.00 C ATOM 371 CD LYS A 24 -1.554 -0.140 5.025 1.00 0.00 C ATOM 372 CE LYS A 24 -1.295 0.673 6.301 1.00 0.00 C ATOM 373 NZ LYS A 24 0.114 1.081 6.431 1.00 0.00 N ATOM 0 H LYS A 24 -1.331 2.480 1.767 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.230 -0.197 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.465 -0.836 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.715 -0.874 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.570 1.283 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.316 1.424 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.534 -0.612 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.818 -0.941 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.928 1.560 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.580 0.080 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.222 1.697 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.711 0.237 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.406 1.597 5.577 1.00 0.00 H new ATOM 387 N MET A 25 -3.534 0.292 -0.312 1.00 0.00 N ATOM 388 CA MET A 25 -4.832 0.558 -0.905 1.00 0.00 C ATOM 389 C MET A 25 -5.796 -0.553 -0.514 1.00 0.00 C ATOM 390 O MET A 25 -5.523 -1.725 -0.777 1.00 0.00 O ATOM 391 CB MET A 25 -4.705 0.653 -2.423 1.00 0.00 C ATOM 392 CG MET A 25 -6.031 1.007 -3.112 1.00 0.00 C ATOM 393 SD MET A 25 -6.068 0.787 -4.911 1.00 0.00 S ATOM 394 CE MET A 25 -4.860 2.018 -5.437 1.00 0.00 C ATOM 0 H MET A 25 -3.029 -0.461 -0.780 1.00 0.00 H new ATOM 0 HA MET A 25 -5.217 1.509 -0.537 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.958 1.407 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.341 -0.298 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.821 0.397 -2.674 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.270 2.046 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.773 2.001 -6.523 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.184 3.007 -5.114 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.891 1.791 -4.992 1.00 0.00 H new ATOM 404 N PHE A 26 -6.927 -0.181 0.085 1.00 0.00 N ATOM 405 CA PHE A 26 -7.989 -1.098 0.463 1.00 0.00 C ATOM 406 C PHE A 26 -9.287 -0.658 -0.193 1.00 0.00 C ATOM 407 O PHE A 26 -9.372 0.441 -0.743 1.00 0.00 O ATOM 408 CB PHE A 26 -8.137 -1.164 1.995 1.00 0.00 C ATOM 409 CG PHE A 26 -8.103 0.139 2.787 1.00 0.00 C ATOM 410 CD1 PHE A 26 -8.960 1.220 2.486 1.00 0.00 C ATOM 411 CD2 PHE A 26 -7.392 0.158 4.002 1.00 0.00 C ATOM 412 CE1 PHE A 26 -8.995 2.352 3.321 1.00 0.00 C ATOM 413 CE2 PHE A 26 -7.487 1.260 4.865 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.210 2.396 4.483 1.00 0.00 C ATOM 0 H PHE A 26 -7.130 0.790 0.324 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.738 -2.101 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.082 -1.661 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.343 -1.805 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.592 1.178 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.769 -0.682 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.628 3.189 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.000 1.232 5.829 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.164 3.297 5.077 1.00 0.00 H new ATOM 424 N ILE A 27 -10.307 -1.515 -0.144 1.00 0.00 N ATOM 425 CA ILE A 27 -11.633 -1.110 -0.573 1.00 0.00 C ATOM 426 C ILE A 27 -12.119 -0.198 0.547 1.00 0.00 C ATOM 427 O ILE A 27 -12.116 -0.607 1.703 1.00 0.00 O ATOM 428 CB ILE A 27 -12.537 -2.331 -0.806 1.00 0.00 C ATOM 429 CG1 ILE A 27 -12.095 -2.982 -2.127 1.00 0.00 C ATOM 430 CG2 ILE A 27 -14.021 -1.932 -0.872 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.900 -4.235 -2.467 1.00 0.00 C ATOM 0 H ILE A 27 -10.237 -2.478 0.184 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.640 -0.592 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.438 -3.029 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.198 -2.259 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.038 -3.241 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.630 -2.821 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.313 -1.462 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.173 -1.230 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.544 -4.651 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.776 -4.973 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.955 -3.976 -2.560 1.00 0.00 H new ATOM 443 N ARG A 28 -12.516 1.030 0.218 1.00 0.00 N ATOM 444 CA ARG A 28 -12.940 2.033 1.192 1.00 0.00 C ATOM 445 C ARG A 28 -13.900 1.427 2.214 1.00 0.00 C ATOM 446 O ARG A 28 -13.683 1.477 3.422 1.00 0.00 O ATOM 447 CB ARG A 28 -13.631 3.181 0.450 1.00 0.00 C ATOM 448 CG ARG A 28 -13.982 4.351 1.386 1.00 0.00 C ATOM 449 CD ARG A 28 -15.350 4.948 1.040 1.00 0.00 C ATOM 450 NE ARG A 28 -16.415 3.940 1.155 1.00 0.00 N ATOM 451 CZ ARG A 28 -17.696 4.140 0.825 1.00 0.00 C ATOM 452 NH1 ARG A 28 -18.120 5.358 0.474 1.00 0.00 N ATOM 453 NH2 ARG A 28 -18.540 3.103 0.834 1.00 0.00 N ATOM 0 H ARG A 28 -12.553 1.360 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.065 2.403 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.981 3.539 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.541 2.810 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.985 4.005 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.216 5.123 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.564 5.784 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.330 5.346 0.025 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.158 3.020 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.466 6.140 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.098 5.505 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.204 2.174 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.519 3.240 0.585 1.00 0.00 H new ATOM 467 N THR A 29 -14.972 0.845 1.687 1.00 0.00 N ATOM 468 CA THR A 29 -16.046 0.226 2.436 1.00 0.00 C ATOM 469 C THR A 29 -15.550 -0.924 3.328 1.00 0.00 C ATOM 470 O THR A 29 -16.223 -1.279 4.295 1.00 0.00 O ATOM 471 CB THR A 29 -17.082 -0.268 1.411 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.178 0.660 0.336 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.468 -0.430 2.042 1.00 0.00 C ATOM 0 H THR A 29 -15.117 0.793 0.679 1.00 0.00 H new ATOM 0 HA THR A 29 -16.488 0.952 3.118 1.00 0.00 H new ATOM 0 HB THR A 29 -16.747 -1.240 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.838 0.340 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.173 -0.780 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.416 -1.155 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.804 0.530 2.434 1.00 0.00 H new ATOM 481 N HIS A 30 -14.417 -1.554 2.996 1.00 0.00 N ATOM 482 CA HIS A 30 -13.857 -2.689 3.691 1.00 0.00 C ATOM 483 C HIS A 30 -12.374 -2.427 3.950 1.00 0.00 C ATOM 484 O HIS A 30 -11.508 -3.055 3.344 1.00 0.00 O ATOM 485 CB HIS A 30 -14.055 -3.910 2.796 1.00 0.00 C ATOM 486 CG HIS A 30 -15.484 -4.186 2.389 1.00 0.00 C ATOM 487 ND1 HIS A 30 -16.579 -3.766 3.130 1.00 0.00 N ATOM 488 CD2 HIS A 30 -16.016 -4.797 1.279 1.00 0.00 C ATOM 489 CE1 HIS A 30 -17.683 -4.122 2.455 1.00 0.00 C ATOM 490 NE2 HIS A 30 -17.407 -4.746 1.309 1.00 0.00 N ATOM 0 H HIS A 30 -13.851 -1.264 2.199 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.342 -2.858 4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.456 -3.780 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.666 -4.787 3.314 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -16.550 -3.276 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.435 -5.254 0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.686 -3.925 2.802 1.00 0.00 H new ATOM 498 N ARG A 31 -12.080 -1.500 4.864 1.00 0.00 N ATOM 499 CA ARG A 31 -10.718 -1.118 5.199 1.00 0.00 C ATOM 500 C ARG A 31 -9.849 -2.344 5.500 1.00 0.00 C ATOM 501 O ARG A 31 -8.692 -2.418 5.090 1.00 0.00 O ATOM 502 CB ARG A 31 -10.738 -0.159 6.393 1.00 0.00 C ATOM 503 CG ARG A 31 -11.583 1.092 6.120 1.00 0.00 C ATOM 504 CD ARG A 31 -11.309 2.158 7.189 1.00 0.00 C ATOM 505 NE ARG A 31 -12.222 3.303 7.065 1.00 0.00 N ATOM 506 CZ ARG A 31 -12.156 4.246 6.115 1.00 0.00 C ATOM 507 NH1 ARG A 31 -11.214 4.187 5.172 1.00 0.00 N ATOM 508 NH2 ARG A 31 -13.037 5.251 6.111 1.00 0.00 N ATOM 0 H ARG A 31 -12.790 -0.993 5.393 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.276 -0.614 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.133 -0.678 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.718 0.140 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.350 1.489 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.641 0.832 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.414 1.715 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.279 2.503 7.102 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.966 3.387 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.540 3.422 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.168 4.907 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.758 5.300 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.988 5.969 5.389 1.00 0.00 H new ATOM 522 N GLU A 32 -10.424 -3.339 6.178 1.00 0.00 N ATOM 523 CA GLU A 32 -9.755 -4.572 6.565 1.00 0.00 C ATOM 524 C GLU A 32 -9.605 -5.548 5.386 1.00 0.00 C ATOM 525 O GLU A 32 -9.878 -6.739 5.520 1.00 0.00 O ATOM 526 CB GLU A 32 -10.553 -5.195 7.716 1.00 0.00 C ATOM 527 CG GLU A 32 -10.617 -4.244 8.917 1.00 0.00 C ATOM 528 CD GLU A 32 -11.300 -4.907 10.108 1.00 0.00 C ATOM 529 OE1 GLU A 32 -12.546 -4.834 10.157 1.00 0.00 O ATOM 530 OE2 GLU A 32 -10.564 -5.481 10.940 1.00 0.00 O ATOM 0 H GLU A 32 -11.398 -3.303 6.480 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.739 -4.349 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.563 -5.429 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.091 -6.136 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.609 -3.938 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.159 -3.340 8.640 1.00 0.00 H new ATOM 537 N TYR A 33 -9.156 -5.045 4.238 1.00 0.00 N ATOM 538 CA TYR A 33 -8.902 -5.801 3.025 1.00 0.00 C ATOM 539 C TYR A 33 -7.926 -4.986 2.178 1.00 0.00 C ATOM 540 O TYR A 33 -8.341 -4.113 1.418 1.00 0.00 O ATOM 541 CB TYR A 33 -10.216 -6.069 2.277 1.00 0.00 C ATOM 542 CG TYR A 33 -10.016 -6.671 0.897 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.479 -7.964 0.764 1.00 0.00 C ATOM 544 CD2 TYR A 33 -10.239 -5.887 -0.251 1.00 0.00 C ATOM 545 CE1 TYR A 33 -9.150 -8.464 -0.508 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.906 -6.386 -1.521 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.353 -7.669 -1.650 1.00 0.00 C ATOM 548 OH TYR A 33 -9.000 -8.128 -2.883 1.00 0.00 O ATOM 0 H TYR A 33 -8.951 -4.052 4.129 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.468 -6.775 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.833 -6.742 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.767 -5.134 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.319 -8.574 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.667 -4.900 -0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.741 -9.459 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.076 -5.781 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.212 -7.449 -3.558 1.00 0.00 H new ATOM 558 N ILE A 34 -6.625 -5.263 2.302 1.00 0.00 N ATOM 559 CA ILE A 34 -5.610 -4.542 1.546 1.00 0.00 C ATOM 560 C ILE A 34 -5.613 -5.138 0.139 1.00 0.00 C ATOM 561 O ILE A 34 -5.229 -6.287 -0.065 1.00 0.00 O ATOM 562 CB ILE A 34 -4.229 -4.643 2.218 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.263 -4.335 3.729 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.270 -3.676 1.509 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.922 -3.002 4.096 1.00 0.00 C ATOM 0 H ILE A 34 -6.254 -5.984 2.921 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.833 -3.476 1.507 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.889 -5.675 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.794 -5.139 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.242 -4.337 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.285 -3.735 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.192 -3.948 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.651 -2.658 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.900 -2.871 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.380 -2.185 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.956 -3.000 3.751 1.00 0.00 H new ATOM 577 N SER A 35 -6.108 -4.359 -0.821 1.00 0.00 N ATOM 578 CA SER A 35 -6.276 -4.744 -2.206 1.00 0.00 C ATOM 579 C SER A 35 -4.960 -4.650 -2.973 1.00 0.00 C ATOM 580 O SER A 35 -4.595 -5.585 -3.683 1.00 0.00 O ATOM 581 CB SER A 35 -7.330 -3.827 -2.838 1.00 0.00 C ATOM 582 OG SER A 35 -8.383 -3.582 -1.923 1.00 0.00 O ATOM 0 H SER A 35 -6.414 -3.403 -0.639 1.00 0.00 H new ATOM 0 HA SER A 35 -6.603 -5.783 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.870 -2.884 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.726 -4.287 -3.743 1.00 0.00 H new ATOM 0 HG SER A 35 -8.861 -4.418 -1.743 1.00 0.00 H new ATOM 588 N GLU A 36 -4.268 -3.513 -2.844 1.00 0.00 N ATOM 589 CA GLU A 36 -3.035 -3.201 -3.559 1.00 0.00 C ATOM 590 C GLU A 36 -2.111 -2.431 -2.614 1.00 0.00 C ATOM 591 O GLU A 36 -2.543 -2.004 -1.545 1.00 0.00 O ATOM 592 CB GLU A 36 -3.415 -2.432 -4.838 1.00 0.00 C ATOM 593 CG GLU A 36 -2.239 -1.890 -5.672 1.00 0.00 C ATOM 594 CD GLU A 36 -1.870 -0.443 -5.328 1.00 0.00 C ATOM 595 OE1 GLU A 36 -2.137 -0.052 -4.174 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.346 0.267 -6.215 1.00 0.00 O ATOM 0 H GLU A 36 -4.564 -2.764 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.486 -4.089 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.011 -3.090 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.054 -1.594 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.368 -2.527 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.494 -1.951 -6.730 1.00 0.00 H new ATOM 603 N ARG A 37 -0.834 -2.293 -2.977 1.00 0.00 N ATOM 604 CA ARG A 37 0.130 -1.494 -2.241 1.00 0.00 C ATOM 605 C ARG A 37 0.989 -0.720 -3.217 1.00 0.00 C ATOM 606 O ARG A 37 1.016 -1.023 -4.410 1.00 0.00 O ATOM 607 CB ARG A 37 1.072 -2.353 -1.398 1.00 0.00 C ATOM 608 CG ARG A 37 0.405 -2.921 -0.162 1.00 0.00 C ATOM 609 CD ARG A 37 -0.128 -4.333 -0.410 1.00 0.00 C ATOM 610 NE ARG A 37 -0.406 -5.041 0.841 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.791 -6.322 0.907 1.00 0.00 C ATOM 612 NH1 ARG A 37 -0.949 -7.044 -0.209 1.00 0.00 N ATOM 613 NH2 ARG A 37 -0.992 -6.871 2.107 1.00 0.00 N ATOM 0 H ARG A 37 -0.441 -2.743 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.439 -0.837 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.452 -3.172 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.931 -1.753 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.119 -2.940 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.415 -2.270 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.039 -4.277 -1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.599 -4.898 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.300 -4.527 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.776 -6.619 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.243 -8.019 -0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.852 -6.316 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.285 -7.845 2.179 1.00 0.00 H new ATOM 627 N GLY A 38 1.708 0.262 -2.681 1.00 0.00 N ATOM 628 CA GLY A 38 2.645 1.017 -3.505 1.00 0.00 C ATOM 629 C GLY A 38 3.484 2.042 -2.747 1.00 0.00 C ATOM 630 O GLY A 38 3.485 2.074 -1.518 1.00 0.00 O ATOM 0 H GLY A 38 1.663 0.549 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.316 0.316 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.086 1.532 -4.286 1.00 0.00 H new ATOM 634 N CYS A 39 4.193 2.884 -3.510 1.00 0.00 N ATOM 635 CA CYS A 39 5.137 3.903 -3.052 1.00 0.00 C ATOM 636 C CYS A 39 4.631 5.328 -3.318 1.00 0.00 C ATOM 637 O CYS A 39 3.937 5.543 -4.307 1.00 0.00 O ATOM 638 CB CYS A 39 6.451 3.687 -3.806 1.00 0.00 C ATOM 639 SG CYS A 39 7.617 5.052 -3.655 1.00 0.00 S ATOM 0 H CYS A 39 4.115 2.868 -4.527 1.00 0.00 H new ATOM 0 HA CYS A 39 5.265 3.804 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.924 2.777 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.230 3.527 -4.861 1.00 0.00 H new ATOM 644 N GLY A 40 4.971 6.293 -2.448 1.00 0.00 N ATOM 645 CA GLY A 40 4.631 7.708 -2.606 1.00 0.00 C ATOM 646 C GLY A 40 3.142 7.940 -2.810 1.00 0.00 C ATOM 647 O GLY A 40 2.648 8.374 -3.847 1.00 0.00 O ATOM 0 H GLY A 40 5.502 6.102 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.961 8.256 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.177 8.115 -3.457 1.00 0.00 H new ATOM 651 N CYS A 41 2.482 7.622 -1.724 1.00 0.00 N ATOM 652 CA CYS A 41 1.049 7.609 -1.456 1.00 0.00 C ATOM 653 C CYS A 41 0.189 8.591 -2.268 1.00 0.00 C ATOM 654 O CYS A 41 0.101 9.764 -1.905 1.00 0.00 O ATOM 655 CB CYS A 41 0.850 7.876 0.030 1.00 0.00 C ATOM 656 SG CYS A 41 -0.866 7.663 0.546 1.00 0.00 S ATOM 0 H CYS A 41 2.997 7.327 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 41 0.699 6.626 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.485 7.203 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.172 8.892 0.260 1.00 0.00 H new ATOM 661 N PRO A 42 -0.484 8.122 -3.334 1.00 0.00 N ATOM 662 CA PRO A 42 -1.410 8.913 -4.120 1.00 0.00 C ATOM 663 C PRO A 42 -2.843 8.690 -3.626 1.00 0.00 C ATOM 664 O PRO A 42 -3.107 7.848 -2.765 1.00 0.00 O ATOM 665 CB PRO A 42 -1.257 8.387 -5.546 1.00 0.00 C ATOM 666 CG PRO A 42 -1.032 6.891 -5.315 1.00 0.00 C ATOM 667 CD PRO A 42 -0.301 6.827 -3.970 1.00 0.00 C ATOM 0 HA PRO A 42 -1.207 9.982 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.146 8.577 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.417 8.850 -6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.976 6.346 -5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.436 6.449 -6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.705 6.029 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.758 6.613 -4.115 1.00 0.00 H new ATOM 675 N THR A 43 -3.780 9.440 -4.201 1.00 0.00 N ATOM 676 CA THR A 43 -5.203 9.324 -3.913 1.00 0.00 C ATOM 677 C THR A 43 -5.787 8.150 -4.712 1.00 0.00 C ATOM 678 O THR A 43 -5.204 7.730 -5.711 1.00 0.00 O ATOM 679 CB THR A 43 -5.885 10.647 -4.298 1.00 0.00 C ATOM 680 OG1 THR A 43 -5.026 11.725 -3.980 1.00 0.00 O ATOM 681 CG2 THR A 43 -7.214 10.855 -3.564 1.00 0.00 C ATOM 0 H THR A 43 -3.565 10.158 -4.893 1.00 0.00 H new ATOM 0 HA THR A 43 -5.371 9.132 -2.853 1.00 0.00 H new ATOM 0 HB THR A 43 -6.091 10.605 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.457 12.570 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.655 11.803 -3.871 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.896 10.041 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.037 10.869 -2.488 1.00 0.00 H new ATOM 689 N ALA A 44 -6.942 7.629 -4.290 1.00 0.00 N ATOM 690 CA ALA A 44 -7.654 6.552 -4.963 1.00 0.00 C ATOM 691 C ALA A 44 -9.149 6.804 -4.783 1.00 0.00 C ATOM 692 O ALA A 44 -9.552 7.315 -3.739 1.00 0.00 O ATOM 693 CB ALA A 44 -7.238 5.202 -4.377 1.00 0.00 C ATOM 0 H ALA A 44 -7.416 7.957 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.413 6.528 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.776 4.403 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.166 5.061 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.476 5.178 -3.313 1.00 0.00 H new ATOM 699 N MET A 45 -9.945 6.503 -5.813 1.00 0.00 N ATOM 700 CA MET A 45 -11.381 6.698 -5.839 1.00 0.00 C ATOM 701 C MET A 45 -12.109 5.380 -5.565 1.00 0.00 C ATOM 702 O MET A 45 -11.531 4.298 -5.705 1.00 0.00 O ATOM 703 CB MET A 45 -11.756 7.259 -7.214 1.00 0.00 C ATOM 704 CG MET A 45 -11.050 8.595 -7.476 1.00 0.00 C ATOM 705 SD MET A 45 -11.657 9.508 -8.916 1.00 0.00 S ATOM 706 CE MET A 45 -10.589 10.963 -8.823 1.00 0.00 C ATOM 0 H MET A 45 -9.585 6.103 -6.679 1.00 0.00 H new ATOM 0 HA MET A 45 -11.682 7.398 -5.060 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.484 6.542 -7.989 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.836 7.397 -7.272 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.157 9.225 -6.593 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.984 8.407 -7.606 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.826 11.642 -9.642 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.749 11.472 -7.872 1.00 0.00 H new ATOM 0 HE3 MET A 45 -9.546 10.654 -8.898 1.00 0.00 H new ATOM 716 N TRP A 46 -13.393 5.479 -5.203 1.00 0.00 N ATOM 717 CA TRP A 46 -14.213 4.330 -4.871 1.00 0.00 C ATOM 718 C TRP A 46 -14.226 3.353 -6.062 1.00 0.00 C ATOM 719 O TRP A 46 -14.214 3.809 -7.205 1.00 0.00 O ATOM 720 CB TRP A 46 -15.617 4.824 -4.499 1.00 0.00 C ATOM 721 CG TRP A 46 -16.386 3.960 -3.553 1.00 0.00 C ATOM 722 CD1 TRP A 46 -15.940 3.445 -2.387 1.00 0.00 C ATOM 723 CD2 TRP A 46 -17.749 3.492 -3.690 1.00 0.00 C ATOM 724 NE1 TRP A 46 -16.902 2.621 -1.834 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.053 2.629 -2.598 1.00 0.00 C ATOM 726 CE3 TRP A 46 -18.754 3.722 -4.643 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.302 2.002 -2.474 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.012 3.101 -4.531 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.284 2.237 -3.452 1.00 0.00 C ATOM 0 H TRP A 46 -13.887 6.369 -5.135 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.809 3.789 -4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.527 5.818 -4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.197 4.932 -5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -14.973 3.647 -1.951 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -16.779 2.080 -0.978 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.559 4.385 -5.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -19.506 1.348 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -20.772 3.288 -5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.247 1.755 -3.376 1.00 0.00 H new ATOM 740 N PRO A 47 -14.241 2.025 -5.849 1.00 0.00 N ATOM 741 CA PRO A 47 -14.390 1.327 -4.578 1.00 0.00 C ATOM 742 C PRO A 47 -13.174 1.431 -3.655 1.00 0.00 C ATOM 743 O PRO A 47 -13.294 1.151 -2.463 1.00 0.00 O ATOM 744 CB PRO A 47 -14.649 -0.133 -4.952 1.00 0.00 C ATOM 745 CG PRO A 47 -13.903 -0.292 -6.276 1.00 0.00 C ATOM 746 CD PRO A 47 -14.130 1.067 -6.938 1.00 0.00 C ATOM 0 HA PRO A 47 -15.200 1.781 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.271 -0.817 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.714 -0.337 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.844 -0.499 -6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.305 -1.109 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.303 1.322 -7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.035 1.060 -7.546 1.00 0.00 H new ATOM 754 N TYR A 48 -12.015 1.840 -4.171 1.00 0.00 N ATOM 755 CA TYR A 48 -10.795 1.881 -3.388 1.00 0.00 C ATOM 756 C TYR A 48 -10.608 3.170 -2.603 1.00 0.00 C ATOM 757 O TYR A 48 -11.268 4.183 -2.823 1.00 0.00 O ATOM 758 CB TYR A 48 -9.591 1.700 -4.318 1.00 0.00 C ATOM 759 CG TYR A 48 -9.582 0.359 -5.025 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.516 -0.831 -4.277 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.735 0.298 -6.423 1.00 0.00 C ATOM 762 CE1 TYR A 48 -9.634 -2.074 -4.921 1.00 0.00 C ATOM 763 CE2 TYR A 48 -9.813 -0.948 -7.070 1.00 0.00 C ATOM 764 CZ TYR A 48 -9.764 -2.134 -6.317 1.00 0.00 C ATOM 765 OH TYR A 48 -9.842 -3.346 -6.934 1.00 0.00 O ATOM 0 H TYR A 48 -11.903 2.149 -5.137 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.873 1.073 -2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.591 2.496 -5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.673 1.805 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.375 -0.789 -3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.793 1.209 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.625 -2.985 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.910 -0.994 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.930 -3.216 -7.901 1.00 0.00 H new ATOM 775 N GLN A 49 -9.666 3.088 -1.668 1.00 0.00 N ATOM 776 CA GLN A 49 -9.126 4.199 -0.923 1.00 0.00 C ATOM 777 C GLN A 49 -7.725 3.771 -0.506 1.00 0.00 C ATOM 778 O GLN A 49 -7.476 2.600 -0.220 1.00 0.00 O ATOM 779 CB GLN A 49 -9.930 4.515 0.334 1.00 0.00 C ATOM 780 CG GLN A 49 -9.617 5.908 0.898 1.00 0.00 C ATOM 781 CD GLN A 49 -9.727 5.939 2.416 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.823 5.898 2.967 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.596 5.984 3.114 1.00 0.00 N ATOM 0 H GLN A 49 -9.244 2.198 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.146 5.096 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.994 4.449 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.720 3.763 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.611 6.204 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.304 6.637 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.699 6.017 2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.626 5.985 4.134 1.00 0.00 H new ATOM 792 N THR A 50 -6.825 4.735 -0.481 1.00 0.00 N ATOM 793 CA THR A 50 -5.459 4.589 -0.032 1.00 0.00 C ATOM 794 C THR A 50 -5.312 5.147 1.377 1.00 0.00 C ATOM 795 O THR A 50 -6.062 6.033 1.792 1.00 0.00 O ATOM 796 CB THR A 50 -4.521 5.347 -0.987 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.183 6.458 -1.564 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.050 4.418 -2.099 1.00 0.00 C ATOM 0 H THR A 50 -7.039 5.684 -0.788 1.00 0.00 H new ATOM 0 HA THR A 50 -5.196 3.531 -0.025 1.00 0.00 H new ATOM 0 HB THR A 50 -3.666 5.701 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.532 7.019 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.386 4.962 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.514 3.574 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.912 4.053 -2.657 1.00 0.00 H new ATOM 806 N GLU A 51 -4.347 4.599 2.113 1.00 0.00 N ATOM 807 CA GLU A 51 -3.894 5.150 3.375 1.00 0.00 C ATOM 808 C GLU A 51 -2.370 5.013 3.334 1.00 0.00 C ATOM 809 O GLU A 51 -1.844 4.004 2.853 1.00 0.00 O ATOM 810 CB GLU A 51 -4.605 4.531 4.583 1.00 0.00 C ATOM 811 CG GLU A 51 -4.207 3.082 4.827 1.00 0.00 C ATOM 812 CD GLU A 51 -4.775 2.511 6.123 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.513 3.249 6.812 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.468 1.331 6.398 1.00 0.00 O ATOM 0 H GLU A 51 -3.855 3.748 1.840 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.157 6.200 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.378 5.119 5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.683 4.586 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.547 2.473 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.120 3.010 4.852 1.00 0.00 H new ATOM 821 N CYS A 52 -1.674 6.070 3.749 1.00 0.00 N ATOM 822 CA CYS A 52 -0.232 6.182 3.665 1.00 0.00 C ATOM 823 C CYS A 52 0.452 5.754 4.959 1.00 0.00 C ATOM 824 O CYS A 52 -0.186 5.645 6.004 1.00 0.00 O ATOM 825 CB CYS A 52 0.147 7.646 3.427 1.00 0.00 C ATOM 826 SG CYS A 52 -0.885 8.673 2.352 1.00 0.00 S ATOM 0 H CYS A 52 -2.116 6.891 4.163 1.00 0.00 H new ATOM 0 HA CYS A 52 0.092 5.534 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.190 8.134 4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.157 7.659 3.019 1.00 0.00 H new ATOM 831 N CYS A 53 1.767 5.556 4.886 1.00 0.00 N ATOM 832 CA CYS A 53 2.643 5.300 6.022 1.00 0.00 C ATOM 833 C CYS A 53 4.066 5.612 5.575 1.00 0.00 C ATOM 834 O CYS A 53 4.294 5.820 4.385 1.00 0.00 O ATOM 835 CB CYS A 53 2.529 3.851 6.504 1.00 0.00 C ATOM 836 SG CYS A 53 3.053 2.619 5.293 1.00 0.00 S ATOM 0 H CYS A 53 2.269 5.571 3.998 1.00 0.00 H new ATOM 0 HA CYS A 53 2.356 5.929 6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.128 3.733 7.407 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.493 3.653 6.781 1.00 0.00 H new ATOM 841 N LYS A 54 5.020 5.664 6.504 1.00 0.00 N ATOM 842 CA LYS A 54 6.425 5.842 6.227 1.00 0.00 C ATOM 843 C LYS A 54 7.160 4.818 7.087 1.00 0.00 C ATOM 844 O LYS A 54 6.786 4.611 8.241 1.00 0.00 O ATOM 845 CB LYS A 54 6.862 7.275 6.531 1.00 0.00 C ATOM 846 CG LYS A 54 6.226 7.932 7.767 1.00 0.00 C ATOM 847 CD LYS A 54 6.630 9.411 7.860 1.00 0.00 C ATOM 848 CE LYS A 54 8.103 9.613 8.238 1.00 0.00 C ATOM 849 NZ LYS A 54 8.503 11.019 8.058 1.00 0.00 N ATOM 0 H LYS A 54 4.818 5.579 7.500 1.00 0.00 H new ATOM 0 HA LYS A 54 6.653 5.684 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.945 7.283 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.638 7.893 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.141 7.848 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.541 7.406 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.438 9.894 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.001 9.907 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.261 9.316 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.732 8.970 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.404 11.189 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.617 11.220 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.770 11.642 8.454 1.00 0.00 H new ATOM 863 N GLY A 55 8.172 4.168 6.514 1.00 0.00 N ATOM 864 CA GLY A 55 8.948 3.118 7.149 1.00 0.00 C ATOM 865 C GLY A 55 9.146 1.999 6.132 1.00 0.00 C ATOM 866 O GLY A 55 8.280 1.772 5.284 1.00 0.00 O ATOM 0 H GLY A 55 8.480 4.369 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.911 3.504 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.431 2.743 8.032 1.00 0.00 H new ATOM 870 N ASP A 56 10.296 1.321 6.174 1.00 0.00 N ATOM 871 CA ASP A 56 10.586 0.223 5.269 1.00 0.00 C ATOM 872 C ASP A 56 9.455 -0.802 5.365 1.00 0.00 C ATOM 873 O ASP A 56 9.155 -1.300 6.446 1.00 0.00 O ATOM 874 CB ASP A 56 11.953 -0.386 5.604 1.00 0.00 C ATOM 875 CG ASP A 56 12.066 -0.842 7.055 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.033 0.059 7.922 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.207 -2.067 7.259 1.00 0.00 O ATOM 0 H ASP A 56 11.045 1.522 6.836 1.00 0.00 H new ATOM 0 HA ASP A 56 10.640 0.577 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.136 -1.236 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.731 0.349 5.399 1.00 0.00 H new ATOM 882 N ARG A 57 8.807 -1.061 4.226 1.00 0.00 N ATOM 883 CA ARG A 57 7.653 -1.932 4.059 1.00 0.00 C ATOM 884 C ARG A 57 6.597 -1.727 5.156 1.00 0.00 C ATOM 885 O ARG A 57 5.970 -2.681 5.610 1.00 0.00 O ATOM 886 CB ARG A 57 8.104 -3.392 3.900 1.00 0.00 C ATOM 887 CG ARG A 57 8.973 -3.954 5.033 1.00 0.00 C ATOM 888 CD ARG A 57 9.125 -5.468 4.865 1.00 0.00 C ATOM 889 NE ARG A 57 9.638 -5.820 3.530 1.00 0.00 N ATOM 890 CZ ARG A 57 10.927 -5.968 3.193 1.00 0.00 C ATOM 891 NH1 ARG A 57 11.890 -5.691 4.079 1.00 0.00 N ATOM 892 NH2 ARG A 57 11.254 -6.390 1.964 1.00 0.00 N ATOM 0 H ARG A 57 9.097 -0.639 3.344 1.00 0.00 H new ATOM 0 HA ARG A 57 7.145 -1.654 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.216 -4.018 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.658 -3.481 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.953 -3.477 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.519 -3.729 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.802 -5.852 5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.160 -5.950 5.023 1.00 0.00 H new ATOM 0 HE ARG A 57 8.948 -5.965 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.644 -5.366 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.870 -5.805 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.522 -6.599 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.235 -6.503 1.708 1.00 0.00 H new ATOM 906 N CYS A 58 6.354 -0.472 5.551 1.00 0.00 N ATOM 907 CA CYS A 58 5.335 -0.136 6.539 1.00 0.00 C ATOM 908 C CYS A 58 3.929 -0.461 6.030 1.00 0.00 C ATOM 909 O CYS A 58 3.022 -0.751 6.810 1.00 0.00 O ATOM 910 CB CYS A 58 5.423 1.359 6.864 1.00 0.00 C ATOM 911 SG CYS A 58 5.122 2.486 5.474 1.00 0.00 S ATOM 0 H CYS A 58 6.861 0.336 5.191 1.00 0.00 H new ATOM 0 HA CYS A 58 5.517 -0.733 7.433 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.704 1.584 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.414 1.566 7.268 1.00 0.00 H new ATOM 916 N ASN A 59 3.733 -0.403 4.713 1.00 0.00 N ATOM 917 CA ASN A 59 2.459 -0.595 4.047 1.00 0.00 C ATOM 918 C ASN A 59 2.105 -2.074 3.923 1.00 0.00 C ATOM 919 O ASN A 59 1.905 -2.571 2.821 1.00 0.00 O ATOM 920 CB ASN A 59 2.505 0.099 2.680 1.00 0.00 C ATOM 921 CG ASN A 59 3.604 -0.416 1.753 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.611 -0.966 2.192 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.441 -0.197 0.455 1.00 0.00 N ATOM 0 H ASN A 59 4.493 -0.213 4.060 1.00 0.00 H new ATOM 0 HA ASN A 59 1.668 -0.145 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.541 -0.028 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.646 1.169 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.162 -0.487 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.595 0.262 0.118 1.00 0.00 H new ATOM 930 N LYS A 60 2.048 -2.768 5.055 1.00 0.00 N ATOM 931 CA LYS A 60 1.646 -4.167 5.100 1.00 0.00 C ATOM 932 C LYS A 60 0.147 -4.285 4.795 1.00 0.00 C ATOM 933 O LYS A 60 -0.234 -5.289 4.154 1.00 0.00 O ATOM 934 CB LYS A 60 2.005 -4.771 6.467 1.00 0.00 C ATOM 935 CG LYS A 60 1.310 -4.072 7.644 1.00 0.00 C ATOM 936 CD LYS A 60 1.701 -4.743 8.966 1.00 0.00 C ATOM 937 CE LYS A 60 1.010 -4.044 10.141 1.00 0.00 C ATOM 938 NZ LYS A 60 1.367 -4.673 11.425 1.00 0.00 N ATOM 939 OXT LYS A 60 -0.598 -3.375 5.221 1.00 0.00 O ATOM 0 H LYS A 60 2.280 -2.375 5.967 1.00 0.00 H new ATOM 0 HA LYS A 60 2.185 -4.733 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.736 -5.827 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.084 -4.717 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.589 -3.018 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.229 -4.113 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.420 -5.796 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.783 -4.704 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.293 -2.992 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.071 -4.081 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.883 -4.177 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.074 -5.671 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.396 -4.615 11.566 1.00 0.00 H new