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 23 TYR OH : rot 30:sc= 0.928 USER MOD Set 1.2: A 43 THR OG1 : rot 90:sc= 1.05 USER MOD Set 2.1: A 29 THR OG1 : rot 115:sc= 1.15 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0.667 K(o=1.8,f=-1.9) USER MOD Single : A 1 ARG N :NH3+ -170:sc= 1.32 (180deg=1.17) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.809 USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= 0.587 (180deg=0.448) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.7) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0.337 (180deg=0.332) USER MOD Single : A 25 MET CE :methyl -162:sc= -0.0687 (180deg=-0.684) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -79:sc= 1.67 USER MOD Single : A 45 MET CE :methyl 165:sc=-0.00425 (180deg=-0.243) USER MOD Single : A 48 TYR OH : rot -141:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc= 0.272 K(o=0.27,f=-3.8!) USER MOD Single : A 50 THR OG1 : rot -150:sc= 0.0893 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 1.86 K(o=1.9,f=-7.7!) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc=-0.00818 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.017 3.526 -0.102 1.00 0.00 N ATOM 2 CA ARG A 1 12.918 3.069 0.766 1.00 0.00 C ATOM 3 C ARG A 1 12.345 1.764 0.211 1.00 0.00 C ATOM 4 O ARG A 1 11.828 1.776 -0.901 1.00 0.00 O ATOM 5 CB ARG A 1 11.828 4.153 0.825 1.00 0.00 C ATOM 6 CG ARG A 1 10.540 3.744 1.553 1.00 0.00 C ATOM 7 CD ARG A 1 10.704 3.652 3.071 1.00 0.00 C ATOM 8 NE ARG A 1 10.763 4.988 3.677 1.00 0.00 N ATOM 9 CZ ARG A 1 11.602 5.427 4.626 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.574 4.666 5.142 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.444 6.674 5.073 1.00 0.00 N ATOM 0 H1 ARG A 1 14.518 4.313 0.358 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.680 2.741 -0.265 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.630 3.847 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 1 13.290 2.891 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.240 5.034 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.574 4.446 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.756 4.466 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.207 2.779 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.871 3.092 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.614 3.101 3.309 1.00 0.00 H new ATOM 0 HE ARG A 1 10.082 5.665 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.700 3.708 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.189 5.044 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.702 7.262 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.065 7.040 5.795 1.00 0.00 H new ATOM 27 N ILE A 2 12.475 0.650 0.934 1.00 0.00 N ATOM 28 CA ILE A 2 11.897 -0.635 0.557 1.00 0.00 C ATOM 29 C ILE A 2 10.482 -0.672 1.125 1.00 0.00 C ATOM 30 O ILE A 2 10.305 -0.446 2.319 1.00 0.00 O ATOM 31 CB ILE A 2 12.825 -1.785 1.028 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.260 -2.638 -0.175 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.238 -2.684 2.123 1.00 0.00 C ATOM 34 CD1 ILE A 2 12.125 -3.541 -0.675 1.00 0.00 C ATOM 0 H ILE A 2 12.994 0.618 1.812 1.00 0.00 H new ATOM 0 HA ILE A 2 11.820 -0.768 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 2 13.684 -1.294 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.588 -1.985 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.116 -3.252 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.960 -3.457 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.013 -2.084 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.323 -3.151 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.474 -4.127 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.815 -4.213 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.279 -2.926 -0.981 1.00 0.00 H new ATOM 46 N CYS A 3 9.466 -0.913 0.294 1.00 0.00 N ATOM 47 CA CYS A 3 8.079 -0.931 0.750 1.00 0.00 C ATOM 48 C CYS A 3 7.282 -1.938 -0.059 1.00 0.00 C ATOM 49 O CYS A 3 7.778 -2.475 -1.049 1.00 0.00 O ATOM 50 CB CYS A 3 7.472 0.471 0.647 1.00 0.00 C ATOM 51 SG CYS A 3 7.603 1.413 2.180 1.00 0.00 S ATOM 0 H CYS A 3 9.581 -1.099 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 3 8.046 -1.234 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.971 1.019 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.422 0.386 0.368 1.00 0.00 H new ATOM 56 N TYR A 4 6.052 -2.215 0.376 1.00 0.00 N ATOM 57 CA TYR A 4 5.205 -3.183 -0.285 1.00 0.00 C ATOM 58 C TYR A 4 4.541 -2.551 -1.497 1.00 0.00 C ATOM 59 O TYR A 4 4.316 -1.339 -1.512 1.00 0.00 O ATOM 60 CB TYR A 4 4.159 -3.693 0.700 1.00 0.00 C ATOM 61 CG TYR A 4 4.683 -4.624 1.776 1.00 0.00 C ATOM 62 CD1 TYR A 4 4.780 -6.005 1.520 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.954 -4.137 3.069 1.00 0.00 C ATOM 64 CE1 TYR A 4 5.129 -6.890 2.556 1.00 0.00 C ATOM 65 CE2 TYR A 4 5.260 -5.026 4.112 1.00 0.00 C ATOM 66 CZ TYR A 4 5.357 -6.402 3.853 1.00 0.00 C ATOM 67 OH TYR A 4 5.666 -7.269 4.858 1.00 0.00 O ATOM 0 H TYR A 4 5.626 -1.773 1.191 1.00 0.00 H new ATOM 0 HA TYR A 4 5.807 -4.024 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.689 -2.836 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.380 -4.212 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.586 -6.385 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.926 -3.074 3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.222 -7.947 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.420 -4.651 5.112 1.00 0.00 H new ATOM 0 HH TYR A 4 5.794 -6.771 5.692 1.00 0.00 H new ATOM 77 N SER A 5 4.240 -3.377 -2.502 1.00 0.00 N ATOM 78 CA SER A 5 3.569 -2.942 -3.718 1.00 0.00 C ATOM 79 C SER A 5 2.461 -3.937 -4.083 1.00 0.00 C ATOM 80 O SER A 5 1.350 -3.829 -3.571 1.00 0.00 O ATOM 81 CB SER A 5 4.622 -2.774 -4.820 1.00 0.00 C ATOM 82 OG SER A 5 5.407 -3.952 -4.938 1.00 0.00 O ATOM 0 H SER A 5 4.459 -4.373 -2.489 1.00 0.00 H new ATOM 0 HA SER A 5 3.080 -1.978 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.133 -2.559 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.264 -1.923 -4.592 1.00 0.00 H new ATOM 0 HG SER A 5 6.074 -3.831 -5.646 1.00 0.00 H new ATOM 215 N THR A 14 7.440 -6.800 -2.366 1.00 0.00 N ATOM 216 CA THR A 14 7.980 -5.493 -2.030 1.00 0.00 C ATOM 217 C THR A 14 8.932 -5.010 -3.115 1.00 0.00 C ATOM 218 O THR A 14 9.507 -5.832 -3.826 1.00 0.00 O ATOM 219 CB THR A 14 8.739 -5.590 -0.696 1.00 0.00 C ATOM 220 OG1 THR A 14 9.743 -6.590 -0.770 1.00 0.00 O ATOM 221 CG2 THR A 14 7.819 -5.944 0.472 1.00 0.00 C ATOM 0 HA THR A 14 7.157 -4.783 -1.946 1.00 0.00 H new ATOM 0 HB THR A 14 9.176 -4.607 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.441 -7.314 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.403 -6.000 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.052 -5.177 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.346 -6.907 0.283 1.00 0.00 H new ATOM 229 N LYS A 15 9.135 -3.694 -3.196 1.00 0.00 N ATOM 230 CA LYS A 15 10.068 -3.083 -4.131 1.00 0.00 C ATOM 231 C LYS A 15 10.734 -1.871 -3.482 1.00 0.00 C ATOM 232 O LYS A 15 10.233 -1.337 -2.490 1.00 0.00 O ATOM 233 CB LYS A 15 9.348 -2.684 -5.428 1.00 0.00 C ATOM 234 CG LYS A 15 8.348 -1.533 -5.230 1.00 0.00 C ATOM 235 CD LYS A 15 7.586 -1.193 -6.522 1.00 0.00 C ATOM 236 CE LYS A 15 8.492 -0.756 -7.683 1.00 0.00 C ATOM 237 NZ LYS A 15 9.320 0.417 -7.345 1.00 0.00 N ATOM 0 H LYS A 15 8.649 -3.019 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 15 10.840 -3.809 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.088 -2.391 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.821 -3.551 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.635 -1.804 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.880 -0.648 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.010 -2.065 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.872 -0.397 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.141 -1.585 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.876 -0.523 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.533 0.952 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.803 1.027 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.208 0.100 -6.906 1.00 0.00 H new ATOM 251 N THR A 16 11.865 -1.448 -4.050 1.00 0.00 N ATOM 252 CA THR A 16 12.575 -0.262 -3.605 1.00 0.00 C ATOM 253 C THR A 16 11.963 0.946 -4.316 1.00 0.00 C ATOM 254 O THR A 16 11.521 0.840 -5.462 1.00 0.00 O ATOM 255 CB THR A 16 14.086 -0.405 -3.852 1.00 0.00 C ATOM 256 OG1 THR A 16 14.764 0.639 -3.180 1.00 0.00 O ATOM 257 CG2 THR A 16 14.461 -0.365 -5.338 1.00 0.00 C ATOM 0 H THR A 16 12.310 -1.925 -4.834 1.00 0.00 H new ATOM 0 HA THR A 16 12.467 -0.124 -2.529 1.00 0.00 H new ATOM 0 HB THR A 16 14.381 -1.383 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.728 0.553 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.541 -0.471 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.963 -1.182 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.146 0.586 -5.767 1.00 0.00 H new ATOM 265 N CYS A 17 11.926 2.084 -3.626 1.00 0.00 N ATOM 266 CA CYS A 17 11.371 3.339 -4.098 1.00 0.00 C ATOM 267 C CYS A 17 12.187 4.485 -3.513 1.00 0.00 C ATOM 268 O CYS A 17 12.841 4.327 -2.479 1.00 0.00 O ATOM 269 CB CYS A 17 9.913 3.459 -3.647 1.00 0.00 C ATOM 270 SG CYS A 17 8.765 2.402 -4.554 1.00 0.00 S ATOM 0 H CYS A 17 12.301 2.153 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 17 11.408 3.376 -5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.852 3.216 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.596 4.496 -3.755 1.00 0.00 H new ATOM 275 N VAL A 18 12.140 5.640 -4.179 1.00 0.00 N ATOM 276 CA VAL A 18 12.847 6.845 -3.765 1.00 0.00 C ATOM 277 C VAL A 18 12.073 7.548 -2.644 1.00 0.00 C ATOM 278 O VAL A 18 12.682 8.099 -1.731 1.00 0.00 O ATOM 279 CB VAL A 18 13.032 7.767 -4.985 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.786 9.051 -4.609 1.00 0.00 C ATOM 281 CG2 VAL A 18 13.816 7.052 -6.096 1.00 0.00 C ATOM 0 H VAL A 18 11.599 5.762 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 18 13.831 6.585 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 18 12.034 8.025 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.899 9.679 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.224 9.593 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.771 8.794 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.934 7.723 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.798 6.765 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.272 6.161 -6.409 1.00 0.00 H new ATOM 291 N GLU A 19 10.735 7.534 -2.719 1.00 0.00 N ATOM 292 CA GLU A 19 9.871 8.205 -1.756 1.00 0.00 C ATOM 293 C GLU A 19 10.222 7.865 -0.314 1.00 0.00 C ATOM 294 O GLU A 19 10.515 6.721 0.023 1.00 0.00 O ATOM 295 CB GLU A 19 8.403 7.807 -1.964 1.00 0.00 C ATOM 296 CG GLU A 19 7.815 8.397 -3.243 1.00 0.00 C ATOM 297 CD GLU A 19 7.592 9.902 -3.130 1.00 0.00 C ATOM 298 OE1 GLU A 19 6.582 10.277 -2.496 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.441 10.646 -3.666 1.00 0.00 O ATOM 0 H GLU A 19 10.224 7.051 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 19 10.021 9.271 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.326 6.720 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.814 8.141 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.485 8.192 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.868 7.906 -3.466 1.00 0.00 H new ATOM 306 N ASN A 20 10.114 8.881 0.538 1.00 0.00 N ATOM 307 CA ASN A 20 10.279 8.736 1.974 1.00 0.00 C ATOM 308 C ASN A 20 9.052 8.034 2.557 1.00 0.00 C ATOM 309 O ASN A 20 9.146 7.391 3.603 1.00 0.00 O ATOM 310 CB ASN A 20 10.446 10.127 2.601 1.00 0.00 C ATOM 311 CG ASN A 20 10.379 10.074 4.125 1.00 0.00 C ATOM 312 OD1 ASN A 20 11.195 9.424 4.767 1.00 0.00 O ATOM 313 ND2 ASN A 20 9.403 10.747 4.728 1.00 0.00 N ATOM 0 H ASN A 20 9.907 9.836 0.244 1.00 0.00 H new ATOM 0 HA ASN A 20 11.163 8.137 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.402 10.552 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.667 10.791 2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.323 10.728 5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.734 11.282 4.174 1.00 0.00 H new ATOM 320 N THR A 21 7.907 8.166 1.882 1.00 0.00 N ATOM 321 CA THR A 21 6.625 7.654 2.320 1.00 0.00 C ATOM 322 C THR A 21 6.182 6.476 1.456 1.00 0.00 C ATOM 323 O THR A 21 6.721 6.256 0.370 1.00 0.00 O ATOM 324 CB THR A 21 5.622 8.812 2.226 1.00 0.00 C ATOM 325 OG1 THR A 21 5.836 9.514 1.013 1.00 0.00 O ATOM 326 CG2 THR A 21 5.804 9.791 3.388 1.00 0.00 C ATOM 0 H THR A 21 7.855 8.650 0.986 1.00 0.00 H new ATOM 0 HA THR A 21 6.689 7.284 3.343 1.00 0.00 H new ATOM 0 HB THR A 21 4.615 8.397 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.197 10.254 0.946 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.081 10.602 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.647 9.269 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.814 10.201 3.364 1.00 0.00 H new ATOM 334 N CYS A 22 5.211 5.702 1.946 1.00 0.00 N ATOM 335 CA CYS A 22 4.593 4.597 1.239 1.00 0.00 C ATOM 336 C CYS A 22 3.136 4.551 1.660 1.00 0.00 C ATOM 337 O CYS A 22 2.804 5.047 2.734 1.00 0.00 O ATOM 338 CB CYS A 22 5.267 3.279 1.593 1.00 0.00 C ATOM 339 SG CYS A 22 7.071 3.303 1.547 1.00 0.00 S ATOM 0 H CYS A 22 4.825 5.839 2.880 1.00 0.00 H new ATOM 0 HA CYS A 22 4.691 4.742 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.949 2.983 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.912 2.511 0.905 1.00 0.00 H new ATOM 344 N TYR A 23 2.269 3.968 0.833 1.00 0.00 N ATOM 345 CA TYR A 23 0.873 3.763 1.182 1.00 0.00 C ATOM 346 C TYR A 23 0.511 2.292 1.200 1.00 0.00 C ATOM 347 O TYR A 23 1.156 1.441 0.577 1.00 0.00 O ATOM 348 CB TYR A 23 -0.080 4.478 0.225 1.00 0.00 C ATOM 349 CG TYR A 23 0.012 4.066 -1.233 1.00 0.00 C ATOM 350 CD1 TYR A 23 -0.764 2.998 -1.724 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.720 4.872 -2.135 1.00 0.00 C ATOM 352 CE1 TYR A 23 -0.918 2.822 -3.110 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.510 4.742 -3.517 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.332 3.733 -4.004 1.00 0.00 C ATOM 355 OH TYR A 23 -0.546 3.616 -5.342 1.00 0.00 O ATOM 0 H TYR A 23 2.519 3.627 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 23 0.759 4.186 2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.101 4.309 0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.105 5.550 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.240 2.315 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.430 5.596 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.487 1.986 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.997 5.419 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.428 3.219 -5.499 1.00 0.00 H new ATOM 365 N LYS A 24 -0.575 2.043 1.923 1.00 0.00 N ATOM 366 CA LYS A 24 -1.253 0.774 2.035 1.00 0.00 C ATOM 367 C LYS A 24 -2.707 1.031 1.639 1.00 0.00 C ATOM 368 O LYS A 24 -3.259 2.084 1.967 1.00 0.00 O ATOM 369 CB LYS A 24 -1.075 0.167 3.431 1.00 0.00 C ATOM 370 CG LYS A 24 -0.882 1.168 4.573 1.00 0.00 C ATOM 371 CD LYS A 24 -0.923 0.394 5.900 1.00 0.00 C ATOM 372 CE LYS A 24 -0.609 1.259 7.126 1.00 0.00 C ATOM 373 NZ LYS A 24 0.789 1.724 7.134 1.00 0.00 N ATOM 0 H LYS A 24 -1.026 2.771 2.477 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.830 0.020 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.948 -0.446 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.214 -0.501 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.070 1.689 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.665 1.926 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.911 -0.049 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.209 -0.428 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.277 2.120 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.805 0.687 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.966 2.277 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.428 0.904 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.961 2.321 6.300 1.00 0.00 H new ATOM 387 N MET A 25 -3.290 0.105 0.875 1.00 0.00 N ATOM 388 CA MET A 25 -4.609 0.212 0.274 1.00 0.00 C ATOM 389 C MET A 25 -5.526 -0.919 0.745 1.00 0.00 C ATOM 390 O MET A 25 -5.146 -2.091 0.719 1.00 0.00 O ATOM 391 CB MET A 25 -4.419 0.179 -1.238 1.00 0.00 C ATOM 392 CG MET A 25 -5.690 0.385 -2.062 1.00 0.00 C ATOM 393 SD MET A 25 -5.508 0.046 -3.837 1.00 0.00 S ATOM 394 CE MET A 25 -3.964 0.895 -4.216 1.00 0.00 C ATOM 0 H MET A 25 -2.830 -0.777 0.652 1.00 0.00 H new ATOM 0 HA MET A 25 -5.091 1.142 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.698 0.949 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.980 -0.781 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.474 -0.258 -1.662 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.026 1.414 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.888 1.049 -5.292 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.945 1.860 -3.709 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.123 0.290 -3.876 1.00 0.00 H new ATOM 404 N PHE A 26 -6.751 -0.573 1.139 1.00 0.00 N ATOM 405 CA PHE A 26 -7.771 -1.494 1.619 1.00 0.00 C ATOM 406 C PHE A 26 -9.079 -1.208 0.889 1.00 0.00 C ATOM 407 O PHE A 26 -9.268 -0.112 0.362 1.00 0.00 O ATOM 408 CB PHE A 26 -7.950 -1.312 3.136 1.00 0.00 C ATOM 409 CG PHE A 26 -8.088 0.140 3.564 1.00 0.00 C ATOM 410 CD1 PHE A 26 -9.343 0.775 3.516 1.00 0.00 C ATOM 411 CD2 PHE A 26 -6.935 0.902 3.835 1.00 0.00 C ATOM 412 CE1 PHE A 26 -9.442 2.162 3.724 1.00 0.00 C ATOM 413 CE2 PHE A 26 -7.033 2.292 4.012 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.287 2.922 3.967 1.00 0.00 C ATOM 0 H PHE A 26 -7.069 0.396 1.131 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.471 -2.524 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.834 -1.862 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.096 -1.754 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.233 0.195 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.973 0.416 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -10.408 2.644 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.142 2.877 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.363 3.989 4.119 1.00 0.00 H new ATOM 424 N ILE A 27 -9.982 -2.187 0.819 1.00 0.00 N ATOM 425 CA ILE A 27 -11.297 -1.932 0.247 1.00 0.00 C ATOM 426 C ILE A 27 -12.040 -1.094 1.285 1.00 0.00 C ATOM 427 O ILE A 27 -12.008 -1.414 2.471 1.00 0.00 O ATOM 428 CB ILE A 27 -12.026 -3.237 -0.109 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.239 -3.949 -1.222 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.449 -2.913 -0.587 1.00 0.00 C ATOM 431 CD1 ILE A 27 -11.867 -5.280 -1.639 1.00 0.00 C ATOM 0 H ILE A 27 -9.829 -3.142 1.144 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.232 -1.396 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.091 -3.886 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.177 -3.295 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.218 -4.125 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.967 -3.838 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.991 -2.399 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.400 -2.272 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.267 -5.734 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.905 -5.950 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.878 -5.106 -2.008 1.00 0.00 H new ATOM 443 N ARG A 28 -12.701 -0.022 0.850 1.00 0.00 N ATOM 444 CA ARG A 28 -13.376 0.931 1.720 1.00 0.00 C ATOM 445 C ARG A 28 -14.249 0.249 2.771 1.00 0.00 C ATOM 446 O ARG A 28 -14.121 0.499 3.968 1.00 0.00 O ATOM 447 CB ARG A 28 -14.167 1.912 0.848 1.00 0.00 C ATOM 448 CG ARG A 28 -15.397 1.371 0.109 1.00 0.00 C ATOM 449 CD ARG A 28 -15.817 2.332 -1.011 1.00 0.00 C ATOM 450 NE ARG A 28 -16.057 3.694 -0.515 1.00 0.00 N ATOM 451 CZ ARG A 28 -17.156 4.104 0.134 1.00 0.00 C ATOM 452 NH1 ARG A 28 -18.140 3.244 0.415 1.00 0.00 N ATOM 453 NH2 ARG A 28 -17.264 5.386 0.496 1.00 0.00 N ATOM 0 H ARG A 28 -12.782 0.210 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.629 1.482 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.491 2.738 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.485 2.328 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.174 0.390 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.221 1.238 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.040 2.357 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.722 1.957 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.326 4.386 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.058 2.267 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.972 3.565 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.514 6.042 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.096 5.708 0.990 1.00 0.00 H new ATOM 467 N THR A 29 -15.115 -0.644 2.305 1.00 0.00 N ATOM 468 CA THR A 29 -16.043 -1.397 3.138 1.00 0.00 C ATOM 469 C THR A 29 -15.342 -2.406 4.057 1.00 0.00 C ATOM 470 O THR A 29 -15.987 -2.939 4.959 1.00 0.00 O ATOM 471 CB THR A 29 -17.043 -2.134 2.229 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.362 -2.730 1.141 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.093 -1.179 1.655 1.00 0.00 C ATOM 0 H THR A 29 -15.192 -0.869 1.313 1.00 0.00 H new ATOM 0 HA THR A 29 -16.554 -0.685 3.786 1.00 0.00 H new ATOM 0 HB THR A 29 -17.536 -2.889 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.436 -3.705 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.781 -1.735 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.647 -0.715 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.599 -0.406 1.066 1.00 0.00 H new ATOM 481 N HIS A 30 -14.057 -2.708 3.836 1.00 0.00 N ATOM 482 CA HIS A 30 -13.317 -3.714 4.585 1.00 0.00 C ATOM 483 C HIS A 30 -11.971 -3.143 5.028 1.00 0.00 C ATOM 484 O HIS A 30 -10.919 -3.518 4.516 1.00 0.00 O ATOM 485 CB HIS A 30 -13.165 -4.973 3.713 1.00 0.00 C ATOM 486 CG HIS A 30 -14.456 -5.370 3.042 1.00 0.00 C ATOM 487 ND1 HIS A 30 -15.642 -5.533 3.741 1.00 0.00 N ATOM 488 CD2 HIS A 30 -14.800 -5.485 1.717 1.00 0.00 C ATOM 489 CE1 HIS A 30 -16.623 -5.682 2.838 1.00 0.00 C ATOM 490 NE2 HIS A 30 -16.181 -5.604 1.581 1.00 0.00 N ATOM 0 H HIS A 30 -13.498 -2.248 3.117 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.856 -3.996 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.404 -4.795 2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.812 -5.798 4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.098 -5.483 0.896 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.658 -5.847 3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -16.728 -5.626 0.720 1.00 0.00 H new ATOM 498 N ARG A 31 -12.010 -2.240 6.012 1.00 0.00 N ATOM 499 CA ARG A 31 -10.821 -1.631 6.583 1.00 0.00 C ATOM 500 C ARG A 31 -9.807 -2.696 7.002 1.00 0.00 C ATOM 501 O ARG A 31 -8.621 -2.599 6.693 1.00 0.00 O ATOM 502 CB ARG A 31 -11.240 -0.785 7.792 1.00 0.00 C ATOM 503 CG ARG A 31 -12.075 0.448 7.419 1.00 0.00 C ATOM 504 CD ARG A 31 -11.264 1.407 6.544 1.00 0.00 C ATOM 505 NE ARG A 31 -11.724 2.798 6.663 1.00 0.00 N ATOM 506 CZ ARG A 31 -12.305 3.499 5.680 1.00 0.00 C ATOM 507 NH1 ARG A 31 -12.903 2.886 4.657 1.00 0.00 N ATOM 508 NH2 ARG A 31 -12.266 4.834 5.708 1.00 0.00 N ATOM 0 H ARG A 31 -12.879 -1.913 6.434 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.342 -1.000 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.813 -1.407 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.346 -0.461 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.975 0.137 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.400 0.961 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.212 1.350 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.334 1.092 5.503 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.591 3.264 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.923 1.867 4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.340 3.436 3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.796 5.314 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.707 5.373 4.962 1.00 0.00 H new ATOM 522 N GLU A 32 -10.287 -3.740 7.680 1.00 0.00 N ATOM 523 CA GLU A 32 -9.484 -4.841 8.189 1.00 0.00 C ATOM 524 C GLU A 32 -9.093 -5.827 7.078 1.00 0.00 C ATOM 525 O GLU A 32 -9.239 -7.037 7.232 1.00 0.00 O ATOM 526 CB GLU A 32 -10.279 -5.530 9.303 1.00 0.00 C ATOM 527 CG GLU A 32 -10.585 -4.556 10.448 1.00 0.00 C ATOM 528 CD GLU A 32 -11.287 -5.265 11.600 1.00 0.00 C ATOM 529 OE1 GLU A 32 -12.533 -5.351 11.536 1.00 0.00 O ATOM 530 OE2 GLU A 32 -10.566 -5.714 12.517 1.00 0.00 O ATOM 0 H GLU A 32 -11.279 -3.841 7.894 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.545 -4.456 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.211 -5.924 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.713 -6.379 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.658 -4.107 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.212 -3.744 10.081 1.00 0.00 H new ATOM 537 N TYR A 33 -8.587 -5.303 5.963 1.00 0.00 N ATOM 538 CA TYR A 33 -8.113 -6.055 4.816 1.00 0.00 C ATOM 539 C TYR A 33 -7.193 -5.132 4.023 1.00 0.00 C ATOM 540 O TYR A 33 -7.626 -4.464 3.082 1.00 0.00 O ATOM 541 CB TYR A 33 -9.294 -6.559 3.970 1.00 0.00 C ATOM 542 CG TYR A 33 -8.947 -7.198 2.627 1.00 0.00 C ATOM 543 CD1 TYR A 33 -7.733 -7.887 2.420 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.851 -7.066 1.555 1.00 0.00 C ATOM 545 CE1 TYR A 33 -7.394 -8.362 1.138 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.520 -7.560 0.282 1.00 0.00 C ATOM 547 CZ TYR A 33 -8.272 -8.162 0.059 1.00 0.00 C ATOM 548 OH TYR A 33 -7.934 -8.534 -1.211 1.00 0.00 O ATOM 0 H TYR A 33 -8.495 -4.295 5.835 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.564 -6.943 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.850 -7.287 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.964 -5.719 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.060 -8.051 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.804 -6.582 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.459 -8.880 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.229 -7.476 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.669 -8.317 -1.822 1.00 0.00 H new ATOM 558 N ILE A 34 -5.905 -5.116 4.377 1.00 0.00 N ATOM 559 CA ILE A 34 -4.938 -4.315 3.646 1.00 0.00 C ATOM 560 C ILE A 34 -4.677 -5.155 2.397 1.00 0.00 C ATOM 561 O ILE A 34 -3.998 -6.183 2.422 1.00 0.00 O ATOM 562 CB ILE A 34 -3.681 -4.022 4.476 1.00 0.00 C ATOM 563 CG1 ILE A 34 -3.988 -3.515 5.900 1.00 0.00 C ATOM 564 CG2 ILE A 34 -2.863 -2.978 3.705 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.932 -2.309 5.977 1.00 0.00 C ATOM 0 H ILE A 34 -5.517 -5.645 5.158 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.294 -3.315 3.397 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.130 -4.952 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.423 -4.333 6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.048 -3.251 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.957 -2.741 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.593 -3.377 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.457 -2.073 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.083 -2.031 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.494 -1.469 5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.891 -2.568 5.528 1.00 0.00 H new ATOM 577 N SER A 35 -5.356 -4.735 1.337 1.00 0.00 N ATOM 578 CA SER A 35 -5.516 -5.428 0.084 1.00 0.00 C ATOM 579 C SER A 35 -4.312 -5.284 -0.832 1.00 0.00 C ATOM 580 O SER A 35 -3.758 -6.286 -1.272 1.00 0.00 O ATOM 581 CB SER A 35 -6.775 -4.852 -0.574 1.00 0.00 C ATOM 582 OG SER A 35 -7.889 -4.892 0.304 1.00 0.00 O ATOM 0 H SER A 35 -5.840 -3.837 1.340 1.00 0.00 H new ATOM 0 HA SER A 35 -5.608 -6.499 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.588 -3.822 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.004 -5.416 -1.479 1.00 0.00 H new ATOM 0 HG SER A 35 -8.258 -5.800 0.323 1.00 0.00 H new ATOM 588 N GLU A 36 -3.946 -4.046 -1.155 1.00 0.00 N ATOM 589 CA GLU A 36 -2.868 -3.718 -2.080 1.00 0.00 C ATOM 590 C GLU A 36 -1.955 -2.712 -1.386 1.00 0.00 C ATOM 591 O GLU A 36 -2.334 -2.198 -0.337 1.00 0.00 O ATOM 592 CB GLU A 36 -3.505 -3.135 -3.355 1.00 0.00 C ATOM 593 CG GLU A 36 -2.815 -3.582 -4.646 1.00 0.00 C ATOM 594 CD GLU A 36 -3.550 -3.034 -5.866 1.00 0.00 C ATOM 595 OE1 GLU A 36 -4.685 -3.503 -6.107 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.977 -2.140 -6.525 1.00 0.00 O ATOM 0 H GLU A 36 -4.405 -3.221 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.274 -4.588 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.554 -3.429 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.480 -2.047 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.782 -3.235 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.786 -4.671 -4.691 1.00 0.00 H new ATOM 603 N ARG A 37 -0.785 -2.398 -1.947 1.00 0.00 N ATOM 604 CA ARG A 37 0.133 -1.431 -1.360 1.00 0.00 C ATOM 605 C ARG A 37 0.846 -0.656 -2.467 1.00 0.00 C ATOM 606 O ARG A 37 0.725 -0.994 -3.644 1.00 0.00 O ATOM 607 CB ARG A 37 1.113 -2.175 -0.437 1.00 0.00 C ATOM 608 CG ARG A 37 0.580 -2.250 1.002 1.00 0.00 C ATOM 609 CD ARG A 37 0.717 -3.606 1.695 1.00 0.00 C ATOM 610 NE ARG A 37 -0.062 -4.641 1.009 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.974 -5.453 1.561 1.00 0.00 C ATOM 612 NH1 ARG A 37 -1.207 -5.495 2.876 1.00 0.00 N ATOM 613 NH2 ARG A 37 -1.686 -6.249 0.765 1.00 0.00 N ATOM 0 H ARG A 37 -0.452 -2.808 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.408 -0.700 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.280 -3.183 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.078 -1.668 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.101 -1.503 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.474 -1.973 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.767 -3.897 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.382 -3.523 2.729 1.00 0.00 H new ATOM 0 HE ARG A 37 0.107 -4.755 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.680 -4.892 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.912 -6.131 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.532 -6.232 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.386 -6.875 1.164 1.00 0.00 H new ATOM 627 N GLY A 38 1.559 0.414 -2.106 1.00 0.00 N ATOM 628 CA GLY A 38 2.292 1.216 -3.072 1.00 0.00 C ATOM 629 C GLY A 38 3.230 2.188 -2.368 1.00 0.00 C ATOM 630 O GLY A 38 3.244 2.271 -1.142 1.00 0.00 O ATOM 0 H GLY A 38 1.640 0.741 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.865 0.565 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.592 1.769 -3.698 1.00 0.00 H new ATOM 634 N CYS A 39 4.022 2.928 -3.146 1.00 0.00 N ATOM 635 CA CYS A 39 5.009 3.871 -2.647 1.00 0.00 C ATOM 636 C CYS A 39 4.440 5.289 -2.643 1.00 0.00 C ATOM 637 O CYS A 39 3.526 5.600 -3.400 1.00 0.00 O ATOM 638 CB CYS A 39 6.257 3.770 -3.517 1.00 0.00 C ATOM 639 SG CYS A 39 7.169 2.234 -3.247 1.00 0.00 S ATOM 0 H CYS A 39 3.989 2.883 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 39 5.272 3.630 -1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.970 3.838 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.910 4.617 -3.309 1.00 0.00 H new ATOM 644 N GLY A 40 4.989 6.156 -1.792 1.00 0.00 N ATOM 645 CA GLY A 40 4.539 7.522 -1.614 1.00 0.00 C ATOM 646 C GLY A 40 3.286 7.591 -0.737 1.00 0.00 C ATOM 647 O GLY A 40 3.323 7.308 0.456 1.00 0.00 O ATOM 0 H GLY A 40 5.780 5.914 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.335 8.112 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.328 7.966 -2.587 1.00 0.00 H new ATOM 651 N CYS A 41 2.169 7.996 -1.332 1.00 0.00 N ATOM 652 CA CYS A 41 0.857 8.268 -0.759 1.00 0.00 C ATOM 653 C CYS A 41 -0.122 8.048 -1.951 1.00 0.00 C ATOM 654 O CYS A 41 0.377 7.938 -3.070 1.00 0.00 O ATOM 655 CB CYS A 41 1.015 9.669 -0.148 1.00 0.00 C ATOM 656 SG CYS A 41 0.076 10.324 1.270 1.00 0.00 S ATOM 0 H CYS A 41 2.161 8.159 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 41 0.460 7.650 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.066 9.754 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.843 10.369 -0.965 1.00 0.00 H new ATOM 661 N PRO A 42 -1.448 7.907 -1.753 1.00 0.00 N ATOM 662 CA PRO A 42 -2.492 7.511 -2.684 1.00 0.00 C ATOM 663 C PRO A 42 -2.304 7.499 -4.203 1.00 0.00 C ATOM 664 O PRO A 42 -1.664 8.323 -4.850 1.00 0.00 O ATOM 665 CB PRO A 42 -3.690 8.388 -2.359 1.00 0.00 C ATOM 666 CG PRO A 42 -3.606 8.523 -0.845 1.00 0.00 C ATOM 667 CD PRO A 42 -2.137 8.230 -0.528 1.00 0.00 C ATOM 0 HA PRO A 42 -2.559 6.437 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.629 9.356 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.626 7.927 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.894 9.522 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.271 7.819 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.675 9.095 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.062 7.401 0.176 1.00 0.00 H new ATOM 675 N THR A 43 -3.033 6.527 -4.738 1.00 0.00 N ATOM 676 CA THR A 43 -3.321 6.129 -6.101 1.00 0.00 C ATOM 677 C THR A 43 -4.164 4.877 -5.882 1.00 0.00 C ATOM 678 O THR A 43 -3.768 4.018 -5.098 1.00 0.00 O ATOM 679 CB THR A 43 -2.091 5.828 -6.974 1.00 0.00 C ATOM 680 OG1 THR A 43 -0.861 6.131 -6.340 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.205 6.641 -8.264 1.00 0.00 C ATOM 0 H THR A 43 -3.518 5.893 -4.103 1.00 0.00 H new ATOM 0 HA THR A 43 -3.803 6.931 -6.660 1.00 0.00 H new ATOM 0 HB THR A 43 -2.084 4.756 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.540 5.343 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.341 6.441 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.116 6.359 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.240 7.703 -8.023 1.00 0.00 H new ATOM 689 N ALA A 44 -5.345 4.817 -6.486 1.00 0.00 N ATOM 690 CA ALA A 44 -6.312 3.746 -6.284 1.00 0.00 C ATOM 691 C ALA A 44 -7.550 4.023 -7.132 1.00 0.00 C ATOM 692 O ALA A 44 -7.691 5.118 -7.676 1.00 0.00 O ATOM 693 CB ALA A 44 -6.731 3.691 -4.805 1.00 0.00 C ATOM 0 H ALA A 44 -5.664 5.528 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.859 2.797 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.454 2.888 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.854 3.505 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.182 4.641 -4.519 1.00 0.00 H new ATOM 699 N MET A 45 -8.433 3.028 -7.232 1.00 0.00 N ATOM 700 CA MET A 45 -9.693 3.059 -7.929 1.00 0.00 C ATOM 701 C MET A 45 -10.767 2.552 -6.972 1.00 0.00 C ATOM 702 O MET A 45 -10.513 1.625 -6.204 1.00 0.00 O ATOM 703 CB MET A 45 -9.598 2.125 -9.131 1.00 0.00 C ATOM 704 CG MET A 45 -8.470 2.536 -10.084 1.00 0.00 C ATOM 705 SD MET A 45 -6.810 1.877 -9.747 1.00 0.00 S ATOM 706 CE MET A 45 -7.071 0.112 -10.036 1.00 0.00 C ATOM 0 H MET A 45 -8.262 2.123 -6.794 1.00 0.00 H new ATOM 0 HA MET A 45 -9.936 4.067 -8.266 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.429 1.105 -8.786 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.546 2.127 -9.668 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.754 2.234 -11.092 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.407 3.624 -10.083 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.107 -0.388 -10.131 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.620 -0.317 -9.198 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.643 -0.026 -10.953 1.00 0.00 H new ATOM 716 N TRP A 46 -11.963 3.139 -7.006 1.00 0.00 N ATOM 717 CA TRP A 46 -13.058 2.692 -6.150 1.00 0.00 C ATOM 718 C TRP A 46 -13.319 1.204 -6.438 1.00 0.00 C ATOM 719 O TRP A 46 -13.268 0.809 -7.603 1.00 0.00 O ATOM 720 CB TRP A 46 -14.271 3.588 -6.382 1.00 0.00 C ATOM 721 CG TRP A 46 -15.551 3.272 -5.668 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.330 2.174 -5.804 1.00 0.00 C ATOM 723 CD2 TRP A 46 -16.248 4.129 -4.730 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.413 2.260 -4.949 1.00 0.00 N ATOM 725 CE2 TRP A 46 -17.416 3.461 -4.266 1.00 0.00 C ATOM 726 CE3 TRP A 46 -16.007 5.427 -4.255 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -18.288 4.048 -3.337 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -16.870 6.030 -3.320 1.00 0.00 C ATOM 729 CH2 TRP A 46 -18.008 5.341 -2.861 1.00 0.00 C ATOM 0 H TRP A 46 -12.197 3.923 -7.616 1.00 0.00 H new ATOM 0 HA TRP A 46 -12.812 2.777 -5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -13.986 4.605 -6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -14.481 3.588 -7.452 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -16.135 1.354 -6.479 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -18.118 1.532 -4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -15.146 5.972 -4.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -19.162 3.515 -2.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -16.658 7.024 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -18.667 5.806 -2.142 1.00 0.00 H new ATOM 740 N PRO A 47 -13.607 0.359 -5.431 1.00 0.00 N ATOM 741 CA PRO A 47 -13.877 0.687 -4.034 1.00 0.00 C ATOM 742 C PRO A 47 -12.639 0.717 -3.124 1.00 0.00 C ATOM 743 O PRO A 47 -12.793 0.622 -1.906 1.00 0.00 O ATOM 744 CB PRO A 47 -14.855 -0.408 -3.593 1.00 0.00 C ATOM 745 CG PRO A 47 -14.337 -1.634 -4.345 1.00 0.00 C ATOM 746 CD PRO A 47 -13.918 -1.039 -5.688 1.00 0.00 C ATOM 0 HA PRO A 47 -14.266 1.702 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.838 -0.557 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.883 -0.168 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.499 -2.104 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.108 -2.396 -4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.052 -1.563 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -14.719 -1.132 -6.422 1.00 0.00 H new ATOM 754 N TYR A 48 -11.418 0.843 -3.652 1.00 0.00 N ATOM 755 CA TYR A 48 -10.246 0.913 -2.789 1.00 0.00 C ATOM 756 C TYR A 48 -10.102 2.300 -2.165 1.00 0.00 C ATOM 757 O TYR A 48 -10.508 3.302 -2.753 1.00 0.00 O ATOM 758 CB TYR A 48 -8.968 0.629 -3.577 1.00 0.00 C ATOM 759 CG TYR A 48 -8.767 -0.796 -4.057 1.00 0.00 C ATOM 760 CD1 TYR A 48 -8.736 -1.854 -3.130 1.00 0.00 C ATOM 761 CD2 TYR A 48 -8.313 -1.015 -5.373 1.00 0.00 C ATOM 762 CE1 TYR A 48 -8.237 -3.112 -3.510 1.00 0.00 C ATOM 763 CE2 TYR A 48 -7.736 -2.248 -5.725 1.00 0.00 C ATOM 764 CZ TYR A 48 -7.676 -3.288 -4.784 1.00 0.00 C ATOM 765 OH TYR A 48 -6.978 -4.425 -5.064 1.00 0.00 O ATOM 0 H TYR A 48 -11.222 0.897 -4.651 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.387 0.163 -2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.951 1.287 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.116 0.902 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.097 -1.699 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.408 -0.234 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.285 -3.943 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.339 -2.395 -6.719 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.200 -4.203 -5.618 1.00 0.00 H new ATOM 775 N GLN A 49 -9.483 2.344 -0.984 1.00 0.00 N ATOM 776 CA GLN A 49 -9.138 3.531 -0.240 1.00 0.00 C ATOM 777 C GLN A 49 -7.737 3.293 0.339 1.00 0.00 C ATOM 778 O GLN A 49 -7.427 2.194 0.797 1.00 0.00 O ATOM 779 CB GLN A 49 -10.198 3.787 0.821 1.00 0.00 C ATOM 780 CG GLN A 49 -11.375 4.583 0.236 1.00 0.00 C ATOM 781 CD GLN A 49 -12.496 4.841 1.237 1.00 0.00 C ATOM 782 OE1 GLN A 49 -12.475 4.368 2.368 1.00 0.00 O ATOM 783 NE2 GLN A 49 -13.511 5.596 0.826 1.00 0.00 N ATOM 0 H GLN A 49 -9.196 1.492 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.113 4.428 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.557 2.838 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.760 4.337 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.006 5.538 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.780 4.041 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.511 5.981 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.290 5.790 1.456 1.00 0.00 H new ATOM 792 N THR A 50 -6.874 4.302 0.237 1.00 0.00 N ATOM 793 CA THR A 50 -5.478 4.295 0.649 1.00 0.00 C ATOM 794 C THR A 50 -5.222 5.076 1.942 1.00 0.00 C ATOM 795 O THR A 50 -5.949 6.014 2.264 1.00 0.00 O ATOM 796 CB THR A 50 -4.667 4.947 -0.487 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.515 5.793 -1.247 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.072 3.911 -1.432 1.00 0.00 C ATOM 0 H THR A 50 -7.151 5.200 -0.160 1.00 0.00 H new ATOM 0 HA THR A 50 -5.186 3.263 0.843 1.00 0.00 H new ATOM 0 HB THR A 50 -3.855 5.508 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.198 5.826 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.509 4.416 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.407 3.250 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.874 3.325 -1.880 1.00 0.00 H new ATOM 806 N GLU A 51 -4.154 4.703 2.659 1.00 0.00 N ATOM 807 CA GLU A 51 -3.632 5.427 3.819 1.00 0.00 C ATOM 808 C GLU A 51 -2.099 5.393 3.719 1.00 0.00 C ATOM 809 O GLU A 51 -1.545 4.385 3.276 1.00 0.00 O ATOM 810 CB GLU A 51 -4.183 4.869 5.138 1.00 0.00 C ATOM 811 CG GLU A 51 -3.667 3.457 5.395 1.00 0.00 C ATOM 812 CD GLU A 51 -4.440 2.701 6.471 1.00 0.00 C ATOM 813 OE1 GLU A 51 -4.995 3.377 7.364 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.448 1.454 6.382 1.00 0.00 O ATOM 0 H GLU A 51 -3.616 3.865 2.439 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.964 6.465 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.893 5.521 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.273 4.861 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.710 2.890 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.618 3.512 5.686 1.00 0.00 H new ATOM 821 N CYS A 52 -1.420 6.491 4.076 1.00 0.00 N ATOM 822 CA CYS A 52 0.022 6.659 3.924 1.00 0.00 C ATOM 823 C CYS A 52 0.777 6.420 5.226 1.00 0.00 C ATOM 824 O CYS A 52 0.189 6.398 6.306 1.00 0.00 O ATOM 825 CB CYS A 52 0.330 8.076 3.436 1.00 0.00 C ATOM 826 SG CYS A 52 -0.823 8.710 2.218 1.00 0.00 S ATOM 0 H CYS A 52 -1.875 7.305 4.489 1.00 0.00 H new ATOM 0 HA CYS A 52 0.353 5.916 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.339 8.748 4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.333 8.090 3.010 1.00 0.00 H new ATOM 831 N CYS A 53 2.093 6.252 5.106 1.00 0.00 N ATOM 832 CA CYS A 53 3.032 6.056 6.207 1.00 0.00 C ATOM 833 C CYS A 53 4.439 6.369 5.708 1.00 0.00 C ATOM 834 O CYS A 53 4.621 6.649 4.523 1.00 0.00 O ATOM 835 CB CYS A 53 2.955 4.623 6.749 1.00 0.00 C ATOM 836 SG CYS A 53 3.402 3.323 5.574 1.00 0.00 S ATOM 0 H CYS A 53 2.554 6.249 4.196 1.00 0.00 H new ATOM 0 HA CYS A 53 2.774 6.726 7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.610 4.545 7.617 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.939 4.439 7.099 1.00 0.00 H new ATOM 841 N LYS A 54 5.428 6.326 6.606 1.00 0.00 N ATOM 842 CA LYS A 54 6.834 6.520 6.339 1.00 0.00 C ATOM 843 C LYS A 54 7.601 5.409 7.054 1.00 0.00 C ATOM 844 O LYS A 54 7.165 4.958 8.114 1.00 0.00 O ATOM 845 CB LYS A 54 7.264 7.903 6.837 1.00 0.00 C ATOM 846 CG LYS A 54 6.697 8.280 8.214 1.00 0.00 C ATOM 847 CD LYS A 54 7.316 9.599 8.692 1.00 0.00 C ATOM 848 CE LYS A 54 6.757 9.985 10.066 1.00 0.00 C ATOM 849 NZ LYS A 54 7.342 11.248 10.549 1.00 0.00 N ATOM 0 H LYS A 54 5.245 6.143 7.593 1.00 0.00 H new ATOM 0 HA LYS A 54 7.042 6.475 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.352 7.938 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.951 8.652 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.613 8.377 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.908 7.488 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.400 9.500 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.105 10.389 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.673 10.084 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.964 9.189 10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.943 11.481 11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.374 11.144 10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.123 12.011 9.878 1.00 0.00 H new ATOM 863 N GLY A 55 8.728 4.981 6.481 1.00 0.00 N ATOM 864 CA GLY A 55 9.574 3.928 7.022 1.00 0.00 C ATOM 865 C GLY A 55 9.526 2.687 6.140 1.00 0.00 C ATOM 866 O GLY A 55 8.514 2.378 5.507 1.00 0.00 O ATOM 0 H GLY A 55 9.082 5.370 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.601 4.285 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.247 3.675 8.031 1.00 0.00 H new ATOM 870 N ASP A 56 10.648 1.970 6.089 1.00 0.00 N ATOM 871 CA ASP A 56 10.774 0.763 5.291 1.00 0.00 C ATOM 872 C ASP A 56 9.698 -0.229 5.722 1.00 0.00 C ATOM 873 O ASP A 56 9.500 -0.452 6.914 1.00 0.00 O ATOM 874 CB ASP A 56 12.188 0.198 5.427 1.00 0.00 C ATOM 875 CG ASP A 56 13.172 1.046 4.630 1.00 0.00 C ATOM 876 OD1 ASP A 56 13.538 2.124 5.143 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.492 0.648 3.488 1.00 0.00 O ATOM 0 H ASP A 56 11.494 2.215 6.603 1.00 0.00 H new ATOM 0 HA ASP A 56 10.621 0.980 4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.480 0.179 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.212 -0.832 5.070 1.00 0.00 H new ATOM 882 N ARG A 57 8.978 -0.781 4.743 1.00 0.00 N ATOM 883 CA ARG A 57 7.864 -1.678 4.899 1.00 0.00 C ATOM 884 C ARG A 57 6.840 -1.206 5.941 1.00 0.00 C ATOM 885 O ARG A 57 6.153 -2.033 6.537 1.00 0.00 O ATOM 886 CB ARG A 57 8.421 -3.070 5.171 1.00 0.00 C ATOM 887 CG ARG A 57 9.304 -3.565 4.021 1.00 0.00 C ATOM 888 CD ARG A 57 9.764 -5.008 4.250 1.00 0.00 C ATOM 889 NE ARG A 57 10.291 -5.590 3.008 1.00 0.00 N ATOM 890 CZ ARG A 57 10.762 -6.839 2.890 1.00 0.00 C ATOM 891 NH1 ARG A 57 11.010 -7.571 3.981 1.00 0.00 N ATOM 892 NH2 ARG A 57 10.967 -7.359 1.674 1.00 0.00 N ATOM 0 H ARG A 57 9.183 -0.592 3.762 1.00 0.00 H new ATOM 0 HA ARG A 57 7.282 -1.699 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.001 -3.055 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.597 -3.768 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.752 -3.502 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.174 -2.916 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.532 -5.031 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.929 -5.608 4.612 1.00 0.00 H new ATOM 0 HE ARG A 57 10.299 -5.001 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.841 -7.179 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.368 -8.521 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.765 -6.805 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.325 -8.309 1.579 1.00 0.00 H new ATOM 906 N CYS A 58 6.681 0.113 6.130 1.00 0.00 N ATOM 907 CA CYS A 58 5.666 0.641 7.032 1.00 0.00 C ATOM 908 C CYS A 58 4.276 0.293 6.506 1.00 0.00 C ATOM 909 O CYS A 58 3.337 0.080 7.273 1.00 0.00 O ATOM 910 CB CYS A 58 5.809 2.161 7.162 1.00 0.00 C ATOM 911 SG CYS A 58 5.472 3.136 5.667 1.00 0.00 S ATOM 0 H CYS A 58 7.245 0.826 5.668 1.00 0.00 H new ATOM 0 HA CYS A 58 5.801 0.191 8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.137 2.501 7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.824 2.381 7.492 1.00 0.00 H new ATOM 916 N ASN A 59 4.140 0.225 5.180 1.00 0.00 N ATOM 917 CA ASN A 59 2.894 -0.058 4.508 1.00 0.00 C ATOM 918 C ASN A 59 2.621 -1.560 4.498 1.00 0.00 C ATOM 919 O ASN A 59 2.491 -2.162 3.440 1.00 0.00 O ATOM 920 CB ASN A 59 2.940 0.550 3.102 1.00 0.00 C ATOM 921 CG ASN A 59 3.950 -0.079 2.140 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.930 -0.704 2.540 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.722 0.111 0.846 1.00 0.00 N ATOM 0 H ASN A 59 4.919 0.371 4.538 1.00 0.00 H new ATOM 0 HA ASN A 59 2.061 0.398 5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.947 0.472 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.165 1.613 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.369 -0.266 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.900 0.634 0.544 1.00 0.00 H new ATOM 930 N LYS A 60 2.560 -2.165 5.681 1.00 0.00 N ATOM 931 CA LYS A 60 2.247 -3.579 5.819 1.00 0.00 C ATOM 932 C LYS A 60 0.745 -3.803 5.583 1.00 0.00 C ATOM 933 O LYS A 60 -0.045 -2.932 6.010 1.00 0.00 O ATOM 934 CB LYS A 60 2.727 -4.100 7.185 1.00 0.00 C ATOM 935 CG LYS A 60 1.800 -3.821 8.377 1.00 0.00 C ATOM 936 CD LYS A 60 1.636 -2.328 8.704 1.00 0.00 C ATOM 937 CE LYS A 60 0.666 -2.107 9.868 1.00 0.00 C ATOM 938 NZ LYS A 60 -0.709 -2.489 9.497 1.00 0.00 N ATOM 939 OXT LYS A 60 0.400 -4.841 4.971 1.00 0.00 O ATOM 0 H LYS A 60 2.726 -1.688 6.567 1.00 0.00 H new ATOM 0 HA LYS A 60 2.780 -4.156 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.874 -5.177 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.701 -3.660 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.819 -4.247 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.190 -4.334 9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.607 -1.901 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.273 -1.800 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.989 -2.692 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.687 -1.059 10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.372 -2.144 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.950 -2.068 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.776 -3.525 9.432 1.00 0.00 H new