USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.433 K(o=-0.43,f=0.25) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= -0.0803 (180deg=-1.22) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.257) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0816) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -78:sc= 0.416 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.1) USER MOD Single : A 69 TYR OH : rot -153:sc= 0.0346 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.386 5.076 0.619 1.00 0.00 N ATOM 67 CA ASP A 8 2.777 4.681 0.801 1.00 0.00 C ATOM 68 C ASP A 8 2.921 3.163 0.755 1.00 0.00 C ATOM 69 O ASP A 8 2.619 2.471 1.728 1.00 0.00 O ATOM 70 CB ASP A 8 3.313 5.216 2.130 1.00 0.00 C ATOM 71 CG ASP A 8 3.480 6.723 2.122 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.018 7.254 1.129 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.074 7.371 3.110 1.00 0.00 O ATOM 0 HA ASP A 8 3.360 5.109 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.633 4.933 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.273 4.748 2.346 1.00 0.00 H new ATOM 78 N TYR A 9 3.383 2.652 -0.381 1.00 0.00 N ATOM 79 CA TYR A 9 3.564 1.215 -0.555 1.00 0.00 C ATOM 80 C TYR A 9 4.343 0.619 0.612 1.00 0.00 C ATOM 81 O TYR A 9 3.921 -0.368 1.216 1.00 0.00 O ATOM 82 CB TYR A 9 4.291 0.928 -1.869 1.00 0.00 C ATOM 83 CG TYR A 9 3.480 1.268 -3.098 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.139 0.916 -3.190 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.053 1.944 -4.168 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.394 1.225 -4.311 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.315 2.259 -5.293 1.00 0.00 C ATOM 88 CZ TYR A 9 1.986 1.896 -5.360 1.00 0.00 C ATOM 89 OH TYR A 9 1.247 2.207 -6.478 1.00 0.00 O ATOM 0 H TYR A 9 3.639 3.211 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 9 2.578 0.751 -0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.222 1.495 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.560 -0.128 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.671 0.391 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.094 2.228 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.353 0.943 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.776 2.786 -6.115 1.00 0.00 H new ATOM 0 HH TYR A 9 1.813 2.680 -7.123 1.00 0.00 H new ATOM 99 N TYR A 10 5.484 1.225 0.925 1.00 0.00 N ATOM 100 CA TYR A 10 6.325 0.753 2.019 1.00 0.00 C ATOM 101 C TYR A 10 5.486 0.432 3.252 1.00 0.00 C ATOM 102 O TYR A 10 5.710 -0.575 3.922 1.00 0.00 O ATOM 103 CB TYR A 10 7.381 1.804 2.366 1.00 0.00 C ATOM 104 CG TYR A 10 8.299 2.144 1.214 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.360 1.314 0.876 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.104 3.297 0.463 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.201 1.621 -0.175 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.939 3.612 -0.592 1.00 0.00 C ATOM 109 CZ TYR A 10 9.987 2.771 -0.906 1.00 0.00 C ATOM 110 OH TYR A 10 10.822 3.081 -1.955 1.00 0.00 O ATOM 0 H TYR A 10 5.847 2.044 0.437 1.00 0.00 H new ATOM 0 HA TYR A 10 6.823 -0.160 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.881 2.713 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.980 1.443 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.530 0.412 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.286 3.958 0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.022 0.964 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.772 4.511 -1.167 1.00 0.00 H new ATOM 0 HH TYR A 10 10.533 3.923 -2.366 1.00 0.00 H new ATOM 120 N GLN A 11 4.519 1.296 3.543 1.00 0.00 N ATOM 121 CA GLN A 11 3.646 1.105 4.695 1.00 0.00 C ATOM 122 C GLN A 11 2.735 -0.102 4.493 1.00 0.00 C ATOM 123 O GLN A 11 2.482 -0.863 5.428 1.00 0.00 O ATOM 124 CB GLN A 11 2.804 2.359 4.937 1.00 0.00 C ATOM 125 CG GLN A 11 3.469 3.369 5.858 1.00 0.00 C ATOM 126 CD GLN A 11 3.289 3.029 7.324 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.168 2.830 7.795 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.395 2.961 8.056 1.00 0.00 N ATOM 0 H GLN A 11 4.320 2.135 2.997 1.00 0.00 H new ATOM 0 HA GLN A 11 4.273 0.923 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.594 2.836 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.845 2.066 5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.533 3.418 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.055 4.359 5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.303 3.133 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.336 2.737 9.049 1.00 0.00 H new ATOM 137 N ILE A 12 2.246 -0.270 3.269 1.00 0.00 N ATOM 138 CA ILE A 12 1.364 -1.385 2.946 1.00 0.00 C ATOM 139 C ILE A 12 2.061 -2.722 3.175 1.00 0.00 C ATOM 140 O ILE A 12 1.478 -3.651 3.734 1.00 0.00 O ATOM 141 CB ILE A 12 0.880 -1.314 1.486 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.065 -0.040 1.257 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.056 -2.546 1.141 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.282 0.203 -0.196 1.00 0.00 C ATOM 0 H ILE A 12 2.445 0.351 2.485 1.00 0.00 H new ATOM 0 HA ILE A 12 0.503 -1.309 3.610 1.00 0.00 H new ATOM 0 HB ILE A 12 1.751 -1.288 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.856 -0.098 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.627 0.814 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.279 -2.481 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.666 -3.440 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.810 -2.600 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.860 1.123 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.635 0.294 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.871 -0.633 -0.574 1.00 0.00 H new ATOM 156 N LEU A 13 3.314 -2.811 2.741 1.00 0.00 N ATOM 157 CA LEU A 13 4.093 -4.034 2.900 1.00 0.00 C ATOM 158 C LEU A 13 4.735 -4.095 4.283 1.00 0.00 C ATOM 159 O LEU A 13 4.973 -5.175 4.820 1.00 0.00 O ATOM 160 CB LEU A 13 5.173 -4.118 1.820 1.00 0.00 C ATOM 161 CG LEU A 13 4.702 -4.553 0.432 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.738 -4.192 -0.621 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.415 -6.048 0.411 1.00 0.00 C ATOM 0 H LEU A 13 3.812 -2.051 2.277 1.00 0.00 H new ATOM 0 HA LEU A 13 3.417 -4.882 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.646 -3.140 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.941 -4.815 2.156 1.00 0.00 H new ATOM 0 HG LEU A 13 3.779 -4.023 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.385 -4.509 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.894 -3.113 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.678 -4.694 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.081 -6.340 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.322 -6.596 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.636 -6.279 1.138 1.00 0.00 H new ATOM 175 N GLY A 14 5.010 -2.926 4.854 1.00 0.00 N ATOM 176 CA GLY A 14 5.619 -2.869 6.170 1.00 0.00 C ATOM 177 C GLY A 14 7.132 -2.949 6.113 1.00 0.00 C ATOM 178 O GLY A 14 7.767 -3.488 7.019 1.00 0.00 O ATOM 0 H GLY A 14 4.822 -2.018 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.326 -1.942 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.238 -3.688 6.779 1.00 0.00 H new ATOM 182 N VAL A 15 7.711 -2.414 5.043 1.00 0.00 N ATOM 183 CA VAL A 15 9.159 -2.428 4.870 1.00 0.00 C ATOM 184 C VAL A 15 9.723 -1.012 4.849 1.00 0.00 C ATOM 185 O VAL A 15 9.071 -0.063 4.412 1.00 0.00 O ATOM 186 CB VAL A 15 9.562 -3.149 3.570 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.318 -4.645 3.692 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.804 -2.572 2.384 1.00 0.00 C ATOM 0 H VAL A 15 7.200 -1.965 4.283 1.00 0.00 H new ATOM 0 HA VAL A 15 9.574 -2.969 5.720 1.00 0.00 H new ATOM 0 HB VAL A 15 10.627 -2.991 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.608 -5.138 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.910 -5.044 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.260 -4.827 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.101 -3.093 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.733 -2.698 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.034 -1.511 2.286 1.00 0.00 H new ATOM 198 N PRO A 16 10.966 -0.863 5.331 1.00 0.00 N ATOM 199 CA PRO A 16 11.647 0.434 5.377 1.00 0.00 C ATOM 200 C PRO A 16 12.019 0.944 3.989 1.00 0.00 C ATOM 201 O PRO A 16 12.401 0.166 3.114 1.00 0.00 O ATOM 202 CB PRO A 16 12.907 0.144 6.197 1.00 0.00 C ATOM 203 CG PRO A 16 13.157 -1.312 6.005 1.00 0.00 C ATOM 204 CD PRO A 16 11.802 -1.950 5.868 1.00 0.00 C ATOM 0 HA PRO A 16 11.014 1.212 5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.751 0.740 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.758 0.385 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.764 -1.490 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.701 -1.730 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.828 -2.807 5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.428 -2.309 6.827 1.00 0.00 H new ATOM 212 N ARG A 17 11.906 2.253 3.794 1.00 0.00 N ATOM 213 CA ARG A 17 12.231 2.866 2.512 1.00 0.00 C ATOM 214 C ARG A 17 13.543 2.314 1.963 1.00 0.00 C ATOM 215 O ARG A 17 13.690 2.120 0.757 1.00 0.00 O ATOM 216 CB ARG A 17 12.325 4.386 2.657 1.00 0.00 C ATOM 217 CG ARG A 17 10.973 5.080 2.676 1.00 0.00 C ATOM 218 CD ARG A 17 11.122 6.591 2.587 1.00 0.00 C ATOM 219 NE ARG A 17 11.796 7.003 1.359 1.00 0.00 N ATOM 220 CZ ARG A 17 12.450 8.152 1.229 1.00 0.00 C ATOM 221 NH1 ARG A 17 12.519 8.998 2.248 1.00 0.00 N ATOM 222 NH2 ARG A 17 13.039 8.456 0.079 1.00 0.00 N ATOM 0 H ARG A 17 11.592 2.910 4.508 1.00 0.00 H new ATOM 0 HA ARG A 17 11.433 2.625 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.858 4.622 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.917 4.785 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.368 4.723 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.441 4.819 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.137 7.056 2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.685 6.951 3.448 1.00 0.00 H new ATOM 0 HE ARG A 17 11.763 6.374 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.069 8.767 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.022 9.880 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.990 7.807 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.541 9.339 -0.019 1.00 0.00 H new ATOM 236 N ASN A 18 14.495 2.065 2.857 1.00 0.00 N ATOM 237 CA ASN A 18 15.796 1.537 2.462 1.00 0.00 C ATOM 238 C ASN A 18 15.857 0.027 2.672 1.00 0.00 C ATOM 239 O ASN A 18 16.859 -0.503 3.150 1.00 0.00 O ATOM 240 CB ASN A 18 16.909 2.220 3.259 1.00 0.00 C ATOM 241 CG ASN A 18 17.214 3.615 2.748 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.799 3.782 1.678 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.818 4.625 3.514 1.00 0.00 N ATOM 0 H ASN A 18 14.390 2.220 3.860 1.00 0.00 H new ATOM 0 HA ASN A 18 15.938 1.744 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.619 2.276 4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.813 1.612 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.996 5.586 3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.336 4.440 4.394 1.00 0.00 H new ATOM 250 N ALA A 19 14.777 -0.659 2.310 1.00 0.00 N ATOM 251 CA ALA A 19 14.709 -2.107 2.456 1.00 0.00 C ATOM 252 C ALA A 19 15.358 -2.810 1.268 1.00 0.00 C ATOM 253 O ALA A 19 15.052 -2.509 0.114 1.00 0.00 O ATOM 254 CB ALA A 19 13.263 -2.555 2.610 1.00 0.00 C ATOM 0 H ALA A 19 13.938 -0.235 1.914 1.00 0.00 H new ATOM 0 HA ALA A 19 15.261 -2.383 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.227 -3.639 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.830 -2.088 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.695 -2.260 1.728 1.00 0.00 H new ATOM 260 N SER A 20 16.255 -3.747 1.559 1.00 0.00 N ATOM 261 CA SER A 20 16.951 -4.489 0.514 1.00 0.00 C ATOM 262 C SER A 20 15.960 -5.238 -0.372 1.00 0.00 C ATOM 263 O SER A 20 14.984 -5.808 0.116 1.00 0.00 O ATOM 264 CB SER A 20 17.944 -5.474 1.134 1.00 0.00 C ATOM 265 OG SER A 20 19.080 -4.799 1.646 1.00 0.00 O ATOM 0 H SER A 20 16.517 -4.010 2.509 1.00 0.00 H new ATOM 0 HA SER A 20 17.496 -3.775 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.457 -6.031 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.256 -6.201 0.384 1.00 0.00 H new ATOM 0 HG SER A 20 19.698 -5.450 2.038 1.00 0.00 H new ATOM 271 N GLN A 21 16.218 -5.232 -1.675 1.00 0.00 N ATOM 272 CA GLN A 21 15.349 -5.910 -2.630 1.00 0.00 C ATOM 273 C GLN A 21 14.839 -7.229 -2.059 1.00 0.00 C ATOM 274 O GLN A 21 13.684 -7.603 -2.268 1.00 0.00 O ATOM 275 CB GLN A 21 16.095 -6.163 -3.941 1.00 0.00 C ATOM 276 CG GLN A 21 16.398 -4.895 -4.723 1.00 0.00 C ATOM 277 CD GLN A 21 15.272 -4.505 -5.660 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.351 -4.725 -6.869 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.215 -3.923 -5.106 1.00 0.00 N ATOM 0 H GLN A 21 17.022 -4.765 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 21 14.493 -5.264 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.031 -6.678 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.501 -6.831 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.585 -4.078 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.312 -5.038 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.192 -3.760 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.426 -3.639 -5.687 1.00 0.00 H new ATOM 288 N LYS A 22 15.706 -7.931 -1.338 1.00 0.00 N ATOM 289 CA LYS A 22 15.344 -9.209 -0.735 1.00 0.00 C ATOM 290 C LYS A 22 14.229 -9.030 0.291 1.00 0.00 C ATOM 291 O LYS A 22 13.271 -9.801 0.319 1.00 0.00 O ATOM 292 CB LYS A 22 16.565 -9.847 -0.071 1.00 0.00 C ATOM 293 CG LYS A 22 17.629 -10.297 -1.058 1.00 0.00 C ATOM 294 CD LYS A 22 18.600 -9.174 -1.381 1.00 0.00 C ATOM 295 CE LYS A 22 19.933 -9.716 -1.875 1.00 0.00 C ATOM 296 NZ LYS A 22 19.891 -10.056 -3.324 1.00 0.00 N ATOM 0 H LYS A 22 16.666 -7.637 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 22 14.984 -9.867 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.005 -9.132 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.241 -10.705 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.176 -11.144 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.153 -10.643 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.166 -8.524 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.761 -8.563 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.714 -8.976 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.199 -10.604 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.818 -10.422 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.163 -10.780 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.662 -9.204 -3.874 1.00 0.00 H new ATOM 310 N GLU A 23 14.362 -8.008 1.130 1.00 0.00 N ATOM 311 CA GLU A 23 13.365 -7.729 2.157 1.00 0.00 C ATOM 312 C GLU A 23 12.003 -7.449 1.531 1.00 0.00 C ATOM 313 O GLU A 23 10.973 -7.906 2.028 1.00 0.00 O ATOM 314 CB GLU A 23 13.801 -6.536 3.012 1.00 0.00 C ATOM 315 CG GLU A 23 13.006 -6.387 4.298 1.00 0.00 C ATOM 316 CD GLU A 23 13.317 -7.476 5.306 1.00 0.00 C ATOM 317 OE1 GLU A 23 12.801 -8.601 5.143 1.00 0.00 O ATOM 318 OE2 GLU A 23 14.077 -7.201 6.259 1.00 0.00 O ATOM 0 H GLU A 23 15.150 -7.360 1.119 1.00 0.00 H new ATOM 0 HA GLU A 23 13.279 -8.610 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.857 -6.643 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.701 -5.623 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.219 -5.415 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.941 -6.405 4.066 1.00 0.00 H new ATOM 325 N ILE A 24 12.005 -6.694 0.437 1.00 0.00 N ATOM 326 CA ILE A 24 10.770 -6.353 -0.258 1.00 0.00 C ATOM 327 C ILE A 24 10.082 -7.601 -0.801 1.00 0.00 C ATOM 328 O ILE A 24 8.861 -7.735 -0.721 1.00 0.00 O ATOM 329 CB ILE A 24 11.029 -5.377 -1.420 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.615 -4.065 -0.893 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.743 -5.117 -2.190 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.110 -3.142 -1.984 1.00 0.00 C ATOM 0 H ILE A 24 12.848 -6.307 0.013 1.00 0.00 H new ATOM 0 HA ILE A 24 10.120 -5.871 0.472 1.00 0.00 H new ATOM 0 HB ILE A 24 11.752 -5.829 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.856 -3.547 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.440 -4.291 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.942 -4.425 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.364 -6.056 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.000 -4.683 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.512 -2.233 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.892 -3.641 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.283 -2.886 -2.647 1.00 0.00 H new ATOM 344 N LYS A 25 10.874 -8.514 -1.352 1.00 0.00 N ATOM 345 CA LYS A 25 10.344 -9.754 -1.906 1.00 0.00 C ATOM 346 C LYS A 25 9.836 -10.671 -0.798 1.00 0.00 C ATOM 347 O LYS A 25 8.646 -10.983 -0.733 1.00 0.00 O ATOM 348 CB LYS A 25 11.420 -10.472 -2.724 1.00 0.00 C ATOM 349 CG LYS A 25 10.861 -11.498 -3.696 1.00 0.00 C ATOM 350 CD LYS A 25 11.842 -12.634 -3.931 1.00 0.00 C ATOM 351 CE LYS A 25 11.644 -13.758 -2.926 1.00 0.00 C ATOM 352 NZ LYS A 25 12.588 -14.886 -3.161 1.00 0.00 N ATOM 0 H LYS A 25 11.887 -8.418 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 25 9.507 -9.503 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.996 -9.732 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.112 -10.968 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.925 -11.899 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.629 -11.014 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.716 -13.022 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.862 -12.256 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.784 -13.371 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.619 -14.124 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.421 -15.631 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.437 -15.272 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.566 -14.543 -3.077 1.00 0.00 H new ATOM 366 N LYS A 26 10.743 -11.099 0.073 1.00 0.00 N ATOM 367 CA LYS A 26 10.387 -11.978 1.180 1.00 0.00 C ATOM 368 C LYS A 26 9.152 -11.461 1.910 1.00 0.00 C ATOM 369 O LYS A 26 8.268 -12.234 2.278 1.00 0.00 O ATOM 370 CB LYS A 26 11.557 -12.099 2.159 1.00 0.00 C ATOM 371 CG LYS A 26 11.246 -12.951 3.377 1.00 0.00 C ATOM 372 CD LYS A 26 12.509 -13.321 4.136 1.00 0.00 C ATOM 373 CE LYS A 26 13.093 -12.120 4.865 1.00 0.00 C ATOM 374 NZ LYS A 26 14.031 -11.350 4.002 1.00 0.00 N ATOM 0 H LYS A 26 11.732 -10.851 0.033 1.00 0.00 H new ATOM 0 HA LYS A 26 10.160 -12.962 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.414 -12.525 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.849 -11.102 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.569 -12.409 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.729 -13.858 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.285 -14.110 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.248 -13.721 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.285 -11.468 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.616 -12.457 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.981 -11.364 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.066 -11.781 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.702 -10.367 3.922 1.00 0.00 H new ATOM 388 N ALA A 27 9.096 -10.149 2.113 1.00 0.00 N ATOM 389 CA ALA A 27 7.967 -9.529 2.796 1.00 0.00 C ATOM 390 C ALA A 27 6.696 -9.633 1.960 1.00 0.00 C ATOM 391 O ALA A 27 5.640 -10.017 2.463 1.00 0.00 O ATOM 392 CB ALA A 27 8.276 -8.073 3.111 1.00 0.00 C ATOM 0 H ALA A 27 9.819 -9.495 1.814 1.00 0.00 H new ATOM 0 HA ALA A 27 7.801 -10.064 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.424 -7.622 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.154 -8.018 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.471 -7.534 2.184 1.00 0.00 H new ATOM 398 N TYR A 28 6.805 -9.289 0.681 1.00 0.00 N ATOM 399 CA TYR A 28 5.663 -9.341 -0.224 1.00 0.00 C ATOM 400 C TYR A 28 5.021 -10.725 -0.212 1.00 0.00 C ATOM 401 O TYR A 28 3.803 -10.856 -0.088 1.00 0.00 O ATOM 402 CB TYR A 28 6.095 -8.979 -1.646 1.00 0.00 C ATOM 403 CG TYR A 28 5.119 -9.429 -2.709 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.859 -8.853 -2.812 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.457 -10.430 -3.611 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.963 -9.262 -3.781 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.569 -10.845 -4.585 1.00 0.00 C ATOM 408 CZ TYR A 28 3.323 -10.258 -4.665 1.00 0.00 C ATOM 409 OH TYR A 28 2.435 -10.667 -5.633 1.00 0.00 O ATOM 0 H TYR A 28 7.672 -8.971 0.248 1.00 0.00 H new ATOM 0 HA TYR A 28 4.926 -8.615 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.221 -7.898 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.069 -9.427 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.575 -8.072 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.431 -10.892 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.987 -8.805 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.849 -11.624 -5.279 1.00 0.00 H new ATOM 0 HH TYR A 28 2.844 -11.375 -6.174 1.00 0.00 H new ATOM 419 N TYR A 29 5.850 -11.755 -0.342 1.00 0.00 N ATOM 420 CA TYR A 29 5.365 -13.130 -0.348 1.00 0.00 C ATOM 421 C TYR A 29 4.741 -13.494 0.996 1.00 0.00 C ATOM 422 O TYR A 29 3.778 -14.257 1.059 1.00 0.00 O ATOM 423 CB TYR A 29 6.507 -14.094 -0.671 1.00 0.00 C ATOM 424 CG TYR A 29 6.670 -14.367 -2.149 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.955 -15.384 -2.770 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.538 -13.609 -2.925 1.00 0.00 C ATOM 427 CE1 TYR A 29 6.100 -15.638 -4.120 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.689 -13.855 -4.276 1.00 0.00 C ATOM 429 CZ TYR A 29 6.968 -14.871 -4.869 1.00 0.00 C ATOM 430 OH TYR A 29 7.116 -15.119 -6.214 1.00 0.00 O ATOM 0 H TYR A 29 6.861 -11.664 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 29 4.598 -13.215 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.439 -13.684 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.332 -15.037 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.274 -15.986 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.105 -12.814 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.537 -16.433 -4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.368 -13.255 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 29 7.764 -14.489 -6.593 1.00 0.00 H new ATOM 440 N GLN A 30 5.299 -12.941 2.068 1.00 0.00 N ATOM 441 CA GLN A 30 4.798 -13.207 3.412 1.00 0.00 C ATOM 442 C GLN A 30 3.377 -12.679 3.578 1.00 0.00 C ATOM 443 O GLN A 30 2.468 -13.420 3.952 1.00 0.00 O ATOM 444 CB GLN A 30 5.717 -12.571 4.457 1.00 0.00 C ATOM 445 CG GLN A 30 6.915 -13.433 4.819 1.00 0.00 C ATOM 446 CD GLN A 30 6.520 -14.708 5.538 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.496 -14.758 6.221 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.332 -15.748 5.388 1.00 0.00 N ATOM 0 H GLN A 30 6.097 -12.307 2.033 1.00 0.00 H new ATOM 0 HA GLN A 30 4.784 -14.287 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.071 -11.611 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.141 -12.367 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.463 -13.687 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.593 -12.859 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.170 -15.662 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.118 -16.633 5.848 1.00 0.00 H new ATOM 457 N LEU A 31 3.193 -11.394 3.297 1.00 0.00 N ATOM 458 CA LEU A 31 1.881 -10.765 3.416 1.00 0.00 C ATOM 459 C LEU A 31 0.882 -11.406 2.458 1.00 0.00 C ATOM 460 O LEU A 31 -0.217 -11.789 2.856 1.00 0.00 O ATOM 461 CB LEU A 31 1.986 -9.265 3.135 1.00 0.00 C ATOM 462 CG LEU A 31 2.589 -8.413 4.252 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.132 -7.107 3.693 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.555 -8.143 5.335 1.00 0.00 C ATOM 0 H LEU A 31 3.935 -10.767 2.985 1.00 0.00 H new ATOM 0 HA LEU A 31 1.524 -10.913 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.585 -9.125 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.988 -8.886 2.915 1.00 0.00 H new ATOM 0 HG LEU A 31 3.416 -8.965 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.557 -6.514 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.905 -7.321 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.323 -6.549 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.002 -7.535 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.707 -7.611 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.214 -9.089 5.757 1.00 0.00 H new ATOM 476 N ALA A 32 1.273 -11.520 1.193 1.00 0.00 N ATOM 477 CA ALA A 32 0.414 -12.118 0.179 1.00 0.00 C ATOM 478 C ALA A 32 -0.270 -13.374 0.709 1.00 0.00 C ATOM 479 O ALA A 32 -1.497 -13.480 0.691 1.00 0.00 O ATOM 480 CB ALA A 32 1.218 -12.442 -1.072 1.00 0.00 C ATOM 0 H ALA A 32 2.179 -11.206 0.846 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.360 -11.394 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.563 -12.888 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.654 -11.526 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.013 -13.144 -0.822 1.00 0.00 H new ATOM 486 N LYS A 33 0.530 -14.323 1.181 1.00 0.00 N ATOM 487 CA LYS A 33 0.003 -15.572 1.718 1.00 0.00 C ATOM 488 C LYS A 33 -0.962 -15.305 2.868 1.00 0.00 C ATOM 489 O LYS A 33 -1.947 -16.023 3.045 1.00 0.00 O ATOM 490 CB LYS A 33 1.147 -16.469 2.196 1.00 0.00 C ATOM 491 CG LYS A 33 1.985 -17.041 1.066 1.00 0.00 C ATOM 492 CD LYS A 33 3.176 -17.822 1.595 1.00 0.00 C ATOM 493 CE LYS A 33 2.828 -19.285 1.822 1.00 0.00 C ATOM 494 NZ LYS A 33 3.817 -19.960 2.707 1.00 0.00 N ATOM 0 H LYS A 33 1.547 -14.251 1.203 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.540 -16.080 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.793 -15.896 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.733 -17.290 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.367 -17.692 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.335 -16.231 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.003 -17.749 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.516 -17.379 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.835 -19.357 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.787 -19.801 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.544 -20.955 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.761 -19.914 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.838 -19.483 3.631 1.00 0.00 H new ATOM 508 N LYS A 34 -0.675 -14.268 3.647 1.00 0.00 N ATOM 509 CA LYS A 34 -1.519 -13.904 4.779 1.00 0.00 C ATOM 510 C LYS A 34 -2.836 -13.297 4.304 1.00 0.00 C ATOM 511 O LYS A 34 -3.870 -13.448 4.954 1.00 0.00 O ATOM 512 CB LYS A 34 -0.788 -12.913 5.689 1.00 0.00 C ATOM 513 CG LYS A 34 -1.653 -12.365 6.811 1.00 0.00 C ATOM 514 CD LYS A 34 -1.124 -11.038 7.326 1.00 0.00 C ATOM 515 CE LYS A 34 -0.048 -11.239 8.382 1.00 0.00 C ATOM 516 NZ LYS A 34 1.308 -11.356 7.778 1.00 0.00 N ATOM 0 H LYS A 34 0.136 -13.664 3.515 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.739 -14.811 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.084 -13.404 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.420 -12.083 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.675 -12.236 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.689 -13.085 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.717 -10.460 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.944 -10.457 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.063 -10.402 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.268 -12.138 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.799 -12.178 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.220 -11.479 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.853 -10.493 7.978 1.00 0.00 H new ATOM 530 N TYR A 35 -2.789 -12.613 3.166 1.00 0.00 N ATOM 531 CA TYR A 35 -3.978 -11.983 2.604 1.00 0.00 C ATOM 532 C TYR A 35 -4.409 -12.683 1.318 1.00 0.00 C ATOM 533 O TYR A 35 -4.873 -12.042 0.375 1.00 0.00 O ATOM 534 CB TYR A 35 -3.715 -10.502 2.329 1.00 0.00 C ATOM 535 CG TYR A 35 -3.629 -9.659 3.581 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.778 -9.269 4.259 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.400 -9.252 4.086 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.704 -8.499 5.404 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.318 -8.483 5.230 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.472 -8.108 5.885 1.00 0.00 C ATOM 541 OH TYR A 35 -3.394 -7.341 7.025 1.00 0.00 O ATOM 0 H TYR A 35 -1.941 -12.481 2.615 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.784 -12.072 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.784 -10.405 1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.510 -10.113 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.744 -9.573 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.494 -9.542 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.606 -8.205 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.355 -8.177 5.610 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.454 -7.153 7.229 1.00 0.00 H new ATOM 551 N HIS A 36 -4.253 -14.002 1.289 1.00 0.00 N ATOM 552 CA HIS A 36 -4.626 -14.791 0.120 1.00 0.00 C ATOM 553 C HIS A 36 -6.139 -14.974 0.049 1.00 0.00 C ATOM 554 O HIS A 36 -6.812 -15.177 1.060 1.00 0.00 O ATOM 555 CB HIS A 36 -3.937 -16.155 0.158 1.00 0.00 C ATOM 556 CG HIS A 36 -3.653 -16.720 -1.200 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.400 -17.732 -1.766 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.697 -16.408 -2.107 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.915 -18.019 -2.961 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.882 -17.229 -3.192 1.00 0.00 N ATOM 0 H HIS A 36 -3.871 -14.548 2.061 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.300 -14.253 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.000 -16.065 0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.565 -16.855 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.932 -15.654 -1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.298 -18.772 -3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.314 -17.229 -4.039 1.00 0.00 H new ATOM 704 N ALA A 46 -10.460 -8.479 1.720 1.00 0.00 N ATOM 705 CA ALA A 46 -9.140 -8.994 1.378 1.00 0.00 C ATOM 706 C ALA A 46 -8.804 -8.716 -0.083 1.00 0.00 C ATOM 707 O ALA A 46 -7.740 -8.183 -0.396 1.00 0.00 O ATOM 708 CB ALA A 46 -9.065 -10.486 1.665 1.00 0.00 C ATOM 0 HA ALA A 46 -8.405 -8.479 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.074 -10.857 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.252 -10.663 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.815 -11.009 1.072 1.00 0.00 H new ATOM 714 N LYS A 47 -9.718 -9.083 -0.975 1.00 0.00 N ATOM 715 CA LYS A 47 -9.520 -8.873 -2.404 1.00 0.00 C ATOM 716 C LYS A 47 -8.814 -7.547 -2.667 1.00 0.00 C ATOM 717 O LYS A 47 -7.839 -7.491 -3.416 1.00 0.00 O ATOM 718 CB LYS A 47 -10.864 -8.901 -3.136 1.00 0.00 C ATOM 719 CG LYS A 47 -10.750 -9.273 -4.604 1.00 0.00 C ATOM 720 CD LYS A 47 -10.373 -8.072 -5.456 1.00 0.00 C ATOM 721 CE LYS A 47 -11.604 -7.303 -5.911 1.00 0.00 C ATOM 722 NZ LYS A 47 -12.341 -8.023 -6.986 1.00 0.00 N ATOM 0 H LYS A 47 -10.604 -9.528 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.891 -9.680 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.524 -9.613 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.333 -7.921 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.001 -10.056 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.698 -9.683 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.720 -7.411 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.808 -8.405 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.267 -7.143 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.305 -6.319 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.035 -7.382 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.669 -8.348 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.835 -8.843 -6.579 1.00 0.00 H new ATOM 736 N GLU A 48 -9.312 -6.483 -2.045 1.00 0.00 N ATOM 737 CA GLU A 48 -8.727 -5.158 -2.213 1.00 0.00 C ATOM 738 C GLU A 48 -7.328 -5.100 -1.607 1.00 0.00 C ATOM 739 O GLU A 48 -6.430 -4.455 -2.149 1.00 0.00 O ATOM 740 CB GLU A 48 -9.619 -4.096 -1.565 1.00 0.00 C ATOM 741 CG GLU A 48 -9.543 -2.740 -2.245 1.00 0.00 C ATOM 742 CD GLU A 48 -9.948 -1.603 -1.327 1.00 0.00 C ATOM 743 OE1 GLU A 48 -11.162 -1.438 -1.087 1.00 0.00 O ATOM 744 OE2 GLU A 48 -9.050 -0.879 -0.848 1.00 0.00 O ATOM 0 H GLU A 48 -10.118 -6.513 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.651 -4.956 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.652 -4.443 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.335 -3.985 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.526 -2.572 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.189 -2.741 -3.123 1.00 0.00 H new ATOM 751 N LYS A 49 -7.150 -5.779 -0.478 1.00 0.00 N ATOM 752 CA LYS A 49 -5.861 -5.807 0.203 1.00 0.00 C ATOM 753 C LYS A 49 -4.802 -6.479 -0.665 1.00 0.00 C ATOM 754 O LYS A 49 -3.725 -5.925 -0.889 1.00 0.00 O ATOM 755 CB LYS A 49 -5.983 -6.543 1.539 1.00 0.00 C ATOM 756 CG LYS A 49 -6.455 -5.658 2.680 1.00 0.00 C ATOM 757 CD LYS A 49 -7.970 -5.660 2.798 1.00 0.00 C ATOM 758 CE LYS A 49 -8.456 -6.765 3.723 1.00 0.00 C ATOM 759 NZ LYS A 49 -8.551 -6.303 5.136 1.00 0.00 N ATOM 0 H LYS A 49 -7.883 -6.317 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.554 -4.778 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.678 -7.375 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.015 -6.971 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.016 -6.004 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.103 -4.639 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.308 -4.694 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.413 -5.790 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.433 -7.115 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.775 -7.614 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.886 -7.085 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.614 -5.992 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.220 -5.509 5.197 1.00 0.00 H new ATOM 773 N PHE A 50 -5.114 -7.676 -1.151 1.00 0.00 N ATOM 774 CA PHE A 50 -4.189 -8.423 -1.995 1.00 0.00 C ATOM 775 C PHE A 50 -3.716 -7.573 -3.170 1.00 0.00 C ATOM 776 O PHE A 50 -2.517 -7.454 -3.421 1.00 0.00 O ATOM 777 CB PHE A 50 -4.854 -9.701 -2.511 1.00 0.00 C ATOM 778 CG PHE A 50 -3.876 -10.739 -2.980 1.00 0.00 C ATOM 779 CD1 PHE A 50 -2.918 -11.247 -2.117 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.914 -11.208 -4.283 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.015 -12.202 -2.547 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.015 -12.164 -4.718 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.065 -12.662 -3.848 1.00 0.00 C ATOM 0 H PHE A 50 -6.000 -8.149 -0.975 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.322 -8.691 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.470 -10.126 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.523 -9.446 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.876 -10.893 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.655 -10.822 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.271 -12.588 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.056 -12.521 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.362 -13.410 -4.185 1.00 0.00 H new ATOM 793 N SER A 51 -4.667 -6.983 -3.887 1.00 0.00 N ATOM 794 CA SER A 51 -4.349 -6.147 -5.039 1.00 0.00 C ATOM 795 C SER A 51 -3.356 -5.053 -4.658 1.00 0.00 C ATOM 796 O SER A 51 -2.443 -4.737 -5.420 1.00 0.00 O ATOM 797 CB SER A 51 -5.623 -5.519 -5.607 1.00 0.00 C ATOM 798 OG SER A 51 -5.327 -4.656 -6.691 1.00 0.00 O ATOM 0 H SER A 51 -5.664 -7.068 -3.691 1.00 0.00 H new ATOM 0 HA SER A 51 -3.893 -6.779 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.303 -6.304 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.137 -4.961 -4.824 1.00 0.00 H new ATOM 0 HG SER A 51 -6.158 -4.269 -7.037 1.00 0.00 H new ATOM 804 N GLN A 52 -3.542 -4.480 -3.473 1.00 0.00 N ATOM 805 CA GLN A 52 -2.663 -3.421 -2.991 1.00 0.00 C ATOM 806 C GLN A 52 -1.253 -3.951 -2.751 1.00 0.00 C ATOM 807 O GLN A 52 -0.269 -3.234 -2.937 1.00 0.00 O ATOM 808 CB GLN A 52 -3.220 -2.815 -1.702 1.00 0.00 C ATOM 809 CG GLN A 52 -4.361 -1.838 -1.932 1.00 0.00 C ATOM 810 CD GLN A 52 -3.880 -0.478 -2.398 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.799 -0.353 -2.975 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.682 0.551 -2.151 1.00 0.00 N ATOM 0 H GLN A 52 -4.293 -4.731 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.614 -2.647 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.567 -3.619 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.415 -2.303 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.044 -2.251 -2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.927 -1.722 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.569 0.402 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.411 1.490 -2.442 1.00 0.00 H new ATOM 821 N LEU A 53 -1.163 -5.210 -2.336 1.00 0.00 N ATOM 822 CA LEU A 53 0.127 -5.836 -2.070 1.00 0.00 C ATOM 823 C LEU A 53 0.913 -6.036 -3.362 1.00 0.00 C ATOM 824 O LEU A 53 2.049 -5.580 -3.486 1.00 0.00 O ATOM 825 CB LEU A 53 -0.072 -7.181 -1.367 1.00 0.00 C ATOM 826 CG LEU A 53 -0.499 -7.115 0.099 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.902 -8.493 0.600 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.621 -6.541 0.955 1.00 0.00 C ATOM 0 H LEU A 53 -1.967 -5.817 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 53 0.697 -5.173 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.822 -7.749 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.861 -7.742 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.363 -6.456 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.203 -8.426 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.736 -8.867 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.057 -9.175 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.300 -6.501 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.504 -7.175 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.863 -5.535 0.611 1.00 0.00 H new ATOM 840 N ALA A 54 0.298 -6.719 -4.322 1.00 0.00 N ATOM 841 CA ALA A 54 0.938 -6.975 -5.606 1.00 0.00 C ATOM 842 C ALA A 54 1.390 -5.676 -6.264 1.00 0.00 C ATOM 843 O ALA A 54 2.550 -5.534 -6.647 1.00 0.00 O ATOM 844 CB ALA A 54 -0.008 -7.734 -6.526 1.00 0.00 C ATOM 0 H ALA A 54 -0.642 -7.105 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 54 1.822 -7.587 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.483 -7.918 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.277 -8.685 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.909 -7.143 -6.690 1.00 0.00 H new ATOM 850 N GLU A 55 0.464 -4.730 -6.393 1.00 0.00 N ATOM 851 CA GLU A 55 0.768 -3.443 -7.006 1.00 0.00 C ATOM 852 C GLU A 55 1.898 -2.738 -6.261 1.00 0.00 C ATOM 853 O GLU A 55 2.776 -2.133 -6.873 1.00 0.00 O ATOM 854 CB GLU A 55 -0.478 -2.555 -7.024 1.00 0.00 C ATOM 855 CG GLU A 55 -0.237 -1.180 -7.626 1.00 0.00 C ATOM 856 CD GLU A 55 -1.487 -0.589 -8.247 1.00 0.00 C ATOM 857 OE1 GLU A 55 -2.181 -1.313 -8.991 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.772 0.600 -7.990 1.00 0.00 O ATOM 0 H GLU A 55 -0.502 -4.831 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 55 1.091 -3.625 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.264 -3.057 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.844 -2.437 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.132 -0.508 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.543 -1.251 -8.385 1.00 0.00 H new ATOM 865 N ALA A 56 1.867 -2.822 -4.935 1.00 0.00 N ATOM 866 CA ALA A 56 2.888 -2.195 -4.106 1.00 0.00 C ATOM 867 C ALA A 56 4.258 -2.817 -4.357 1.00 0.00 C ATOM 868 O ALA A 56 5.271 -2.118 -4.386 1.00 0.00 O ATOM 869 CB ALA A 56 2.517 -2.309 -2.634 1.00 0.00 C ATOM 0 H ALA A 56 1.145 -3.318 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 56 2.942 -1.140 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.289 -1.836 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.563 -1.812 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.433 -3.361 -2.360 1.00 0.00 H new ATOM 875 N TYR A 57 4.281 -4.132 -4.537 1.00 0.00 N ATOM 876 CA TYR A 57 5.527 -4.848 -4.783 1.00 0.00 C ATOM 877 C TYR A 57 6.020 -4.610 -6.206 1.00 0.00 C ATOM 878 O TYR A 57 7.131 -4.122 -6.416 1.00 0.00 O ATOM 879 CB TYR A 57 5.334 -6.347 -4.542 1.00 0.00 C ATOM 880 CG TYR A 57 6.458 -7.197 -5.090 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.613 -7.418 -4.351 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.364 -7.781 -6.348 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.642 -8.194 -4.848 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.387 -8.559 -6.853 1.00 0.00 C ATOM 885 CZ TYR A 57 8.525 -8.762 -6.099 1.00 0.00 C ATOM 886 OH TYR A 57 9.547 -9.537 -6.597 1.00 0.00 O ATOM 0 H TYR A 57 3.451 -4.724 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 57 6.278 -4.469 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.243 -6.526 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.396 -6.662 -4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.708 -6.975 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.475 -7.623 -6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.533 -8.355 -4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.297 -9.006 -7.832 1.00 0.00 H new ATOM 0 HH TYR A 57 9.306 -9.863 -7.489 1.00 0.00 H new ATOM 896 N GLU A 58 5.186 -4.958 -7.181 1.00 0.00 N ATOM 897 CA GLU A 58 5.538 -4.782 -8.585 1.00 0.00 C ATOM 898 C GLU A 58 6.326 -3.491 -8.791 1.00 0.00 C ATOM 899 O GLU A 58 7.269 -3.446 -9.582 1.00 0.00 O ATOM 900 CB GLU A 58 4.276 -4.765 -9.451 1.00 0.00 C ATOM 901 CG GLU A 58 4.534 -4.367 -10.895 1.00 0.00 C ATOM 902 CD GLU A 58 3.257 -4.058 -11.652 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.789 -2.902 -11.577 1.00 0.00 O ATOM 904 OE2 GLU A 58 2.726 -4.970 -12.319 1.00 0.00 O ATOM 0 H GLU A 58 4.263 -5.363 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 58 6.165 -5.622 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.819 -5.754 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.556 -4.073 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.185 -3.493 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.066 -5.173 -11.401 1.00 0.00 H new ATOM 911 N VAL A 59 5.933 -2.444 -8.074 1.00 0.00 N ATOM 912 CA VAL A 59 6.602 -1.152 -8.177 1.00 0.00 C ATOM 913 C VAL A 59 7.962 -1.182 -7.488 1.00 0.00 C ATOM 914 O VAL A 59 8.996 -0.957 -8.120 1.00 0.00 O ATOM 915 CB VAL A 59 5.750 -0.028 -7.559 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.553 1.261 -7.466 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.479 0.183 -8.368 1.00 0.00 C ATOM 0 H VAL A 59 5.155 -2.464 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 59 6.740 -0.950 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 59 5.466 -0.324 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.935 2.044 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.431 1.098 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.869 1.565 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.889 0.981 -7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.740 0.458 -9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.896 -0.738 -8.377 1.00 0.00 H new ATOM 927 N LEU A 60 7.955 -1.460 -6.189 1.00 0.00 N ATOM 928 CA LEU A 60 9.189 -1.520 -5.413 1.00 0.00 C ATOM 929 C LEU A 60 10.164 -2.526 -6.017 1.00 0.00 C ATOM 930 O LEU A 60 11.285 -2.175 -6.384 1.00 0.00 O ATOM 931 CB LEU A 60 8.884 -1.896 -3.962 1.00 0.00 C ATOM 932 CG LEU A 60 7.960 -0.944 -3.202 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.479 -1.585 -1.909 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.668 0.372 -2.916 1.00 0.00 C ATOM 0 H LEU A 60 7.109 -1.647 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 60 9.653 -0.534 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.437 -2.890 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.827 -1.965 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 60 7.091 -0.737 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.823 -0.893 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.933 -2.500 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.337 -1.822 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.995 1.037 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.556 0.184 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.961 0.839 -3.856 1.00 0.00 H new ATOM 946 N SER A 61 9.728 -3.778 -6.118 1.00 0.00 N ATOM 947 CA SER A 61 10.562 -4.835 -6.676 1.00 0.00 C ATOM 948 C SER A 61 11.348 -4.328 -7.882 1.00 0.00 C ATOM 949 O SER A 61 12.537 -4.613 -8.026 1.00 0.00 O ATOM 950 CB SER A 61 9.701 -6.033 -7.082 1.00 0.00 C ATOM 951 OG SER A 61 8.840 -5.701 -8.157 1.00 0.00 O ATOM 0 H SER A 61 8.802 -4.084 -5.820 1.00 0.00 H new ATOM 0 HA SER A 61 11.270 -5.148 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.343 -6.865 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.111 -6.366 -6.229 1.00 0.00 H new ATOM 0 HG SER A 61 8.080 -5.183 -7.819 1.00 0.00 H new ATOM 957 N ASP A 62 10.675 -3.575 -8.744 1.00 0.00 N ATOM 958 CA ASP A 62 11.309 -3.026 -9.937 1.00 0.00 C ATOM 959 C ASP A 62 12.247 -1.879 -9.575 1.00 0.00 C ATOM 960 O ASP A 62 12.155 -1.309 -8.489 1.00 0.00 O ATOM 961 CB ASP A 62 10.248 -2.541 -10.927 1.00 0.00 C ATOM 962 CG ASP A 62 10.715 -2.633 -12.367 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.968 -3.762 -12.838 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.826 -1.576 -13.023 1.00 0.00 O ATOM 0 H ASP A 62 9.690 -3.331 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 62 11.896 -3.817 -10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.342 -3.134 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.987 -1.508 -10.698 1.00 0.00 H new ATOM 969 N GLU A 63 13.151 -1.549 -10.493 1.00 0.00 N ATOM 970 CA GLU A 63 14.107 -0.471 -10.268 1.00 0.00 C ATOM 971 C GLU A 63 13.619 0.830 -10.898 1.00 0.00 C ATOM 972 O GLU A 63 13.828 1.914 -10.353 1.00 0.00 O ATOM 973 CB GLU A 63 15.476 -0.846 -10.842 1.00 0.00 C ATOM 974 CG GLU A 63 16.302 0.352 -11.277 1.00 0.00 C ATOM 975 CD GLU A 63 17.794 0.096 -11.186 1.00 0.00 C ATOM 976 OE1 GLU A 63 18.348 0.210 -10.072 1.00 0.00 O ATOM 977 OE2 GLU A 63 18.407 -0.218 -12.227 1.00 0.00 O ATOM 0 H GLU A 63 13.241 -2.012 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 63 14.200 -0.321 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.033 -1.408 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.334 -1.508 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.044 0.613 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.046 1.210 -10.656 1.00 0.00 H new ATOM 984 N VAL A 64 12.967 0.715 -12.051 1.00 0.00 N ATOM 985 CA VAL A 64 12.448 1.881 -12.756 1.00 0.00 C ATOM 986 C VAL A 64 11.205 2.431 -12.066 1.00 0.00 C ATOM 987 O VAL A 64 11.063 3.642 -11.890 1.00 0.00 O ATOM 988 CB VAL A 64 12.103 1.545 -14.219 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.457 2.740 -14.903 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.349 1.099 -14.970 1.00 0.00 C ATOM 0 H VAL A 64 12.786 -0.174 -12.517 1.00 0.00 H new ATOM 0 HA VAL A 64 13.234 2.636 -12.740 1.00 0.00 H new ATOM 0 HB VAL A 64 11.388 0.723 -14.227 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.220 2.484 -15.936 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.541 3.009 -14.377 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.146 3.584 -14.887 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.088 0.865 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.089 1.899 -14.955 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.764 0.212 -14.491 1.00 0.00 H new ATOM 1000 N LYS A 65 10.305 1.535 -11.676 1.00 0.00 N ATOM 1001 CA LYS A 65 9.073 1.929 -11.003 1.00 0.00 C ATOM 1002 C LYS A 65 9.368 2.508 -9.623 1.00 0.00 C ATOM 1003 O LYS A 65 8.732 3.471 -9.195 1.00 0.00 O ATOM 1004 CB LYS A 65 8.132 0.729 -10.873 1.00 0.00 C ATOM 1005 CG LYS A 65 7.939 -0.036 -12.171 1.00 0.00 C ATOM 1006 CD LYS A 65 6.610 -0.772 -12.192 1.00 0.00 C ATOM 1007 CE LYS A 65 5.465 0.154 -12.571 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.282 0.235 -14.047 1.00 0.00 N ATOM 0 H LYS A 65 10.406 0.530 -11.815 1.00 0.00 H new ATOM 0 HA LYS A 65 8.590 2.698 -11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.525 0.050 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.162 1.076 -10.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.986 0.655 -13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.753 -0.749 -12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.662 -1.598 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.418 -1.207 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.543 -0.201 -12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.657 1.151 -12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.492 0.876 -14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.153 0.598 -14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.073 -0.712 -14.423 1.00 0.00 H new ATOM 1022 N ARG A 66 10.338 1.917 -8.933 1.00 0.00 N ATOM 1023 CA ARG A 66 10.717 2.375 -7.602 1.00 0.00 C ATOM 1024 C ARG A 66 11.373 3.751 -7.667 1.00 0.00 C ATOM 1025 O ARG A 66 11.006 4.662 -6.925 1.00 0.00 O ATOM 1026 CB ARG A 66 11.670 1.374 -6.947 1.00 0.00 C ATOM 1027 CG ARG A 66 11.763 1.519 -5.437 1.00 0.00 C ATOM 1028 CD ARG A 66 13.026 0.871 -4.891 1.00 0.00 C ATOM 1029 NE ARG A 66 13.133 1.016 -3.442 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.224 0.706 -2.751 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.296 0.237 -3.374 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.245 0.866 -1.434 1.00 0.00 N ATOM 0 H ARG A 66 10.876 1.120 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 66 9.812 2.451 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.342 0.363 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.664 1.497 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.751 2.576 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.889 1.063 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.032 -0.188 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.898 1.320 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 66 12.326 1.375 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.284 0.113 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.133 -0.000 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.423 1.227 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.084 0.627 -0.905 1.00 0.00 H new ATOM 1046 N LYS A 67 12.347 3.894 -8.560 1.00 0.00 N ATOM 1047 CA LYS A 67 13.055 5.158 -8.724 1.00 0.00 C ATOM 1048 C LYS A 67 12.083 6.290 -9.037 1.00 0.00 C ATOM 1049 O LYS A 67 12.166 7.371 -8.454 1.00 0.00 O ATOM 1050 CB LYS A 67 14.096 5.042 -9.840 1.00 0.00 C ATOM 1051 CG LYS A 67 14.978 6.271 -9.979 1.00 0.00 C ATOM 1052 CD LYS A 67 15.831 6.205 -11.235 1.00 0.00 C ATOM 1053 CE LYS A 67 16.690 7.450 -11.391 1.00 0.00 C ATOM 1054 NZ LYS A 67 15.923 8.584 -11.976 1.00 0.00 N ATOM 0 H LYS A 67 12.664 3.150 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 67 13.561 5.386 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.726 4.173 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.584 4.863 -10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.356 7.165 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.623 6.358 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.470 5.323 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.188 6.094 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.085 7.743 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.545 7.224 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.544 9.413 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.567 8.314 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.121 8.817 -11.356 1.00 0.00 H new ATOM 1068 N GLN A 68 11.161 6.034 -9.960 1.00 0.00 N ATOM 1069 CA GLN A 68 10.172 7.032 -10.349 1.00 0.00 C ATOM 1070 C GLN A 68 9.186 7.292 -9.215 1.00 0.00 C ATOM 1071 O GLN A 68 8.809 8.436 -8.957 1.00 0.00 O ATOM 1072 CB GLN A 68 9.420 6.575 -11.601 1.00 0.00 C ATOM 1073 CG GLN A 68 10.193 6.800 -12.890 1.00 0.00 C ATOM 1074 CD GLN A 68 9.311 6.718 -14.121 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.150 7.127 -14.095 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.859 6.188 -15.208 1.00 0.00 N ATOM 0 H GLN A 68 11.079 5.144 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 68 10.698 7.961 -10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.186 5.514 -11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.470 7.107 -11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.672 7.778 -12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.988 6.058 -12.967 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.825 5.862 -15.185 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.314 6.107 -16.066 1.00 0.00 H new ATOM 1085 N TYR A 69 8.770 6.225 -8.543 1.00 0.00 N ATOM 1086 CA TYR A 69 7.825 6.337 -7.438 1.00 0.00 C ATOM 1087 C TYR A 69 8.444 7.093 -6.266 1.00 0.00 C ATOM 1088 O TYR A 69 7.764 7.847 -5.571 1.00 0.00 O ATOM 1089 CB TYR A 69 7.373 4.949 -6.983 1.00 0.00 C ATOM 1090 CG TYR A 69 6.883 4.910 -5.553 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.942 5.824 -5.095 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.362 3.959 -4.660 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.493 5.792 -3.789 1.00 0.00 C ATOM 1094 CE2 TYR A 69 6.917 3.919 -3.353 1.00 0.00 C ATOM 1095 CZ TYR A 69 5.983 4.838 -2.922 1.00 0.00 C ATOM 1096 OH TYR A 69 5.537 4.803 -1.621 1.00 0.00 O ATOM 0 H TYR A 69 9.072 5.272 -8.744 1.00 0.00 H new ATOM 0 HA TYR A 69 6.958 6.896 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.576 4.602 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.203 4.252 -7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.555 6.572 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.095 3.239 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.762 6.510 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.298 3.172 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 69 6.229 4.412 -1.048 1.00 0.00 H new ATOM 1106 N ASP A 70 9.739 6.884 -6.055 1.00 0.00 N ATOM 1107 CA ASP A 70 10.452 7.546 -4.969 1.00 0.00 C ATOM 1108 C ASP A 70 10.318 9.062 -5.074 1.00 0.00 C ATOM 1109 O ASP A 70 10.162 9.753 -4.068 1.00 0.00 O ATOM 1110 CB ASP A 70 11.930 7.150 -4.984 1.00 0.00 C ATOM 1111 CG ASP A 70 12.625 7.457 -3.673 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.029 7.192 -2.609 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.766 7.964 -3.711 1.00 0.00 O ATOM 0 H ASP A 70 10.316 6.262 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 70 10.007 7.225 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.015 6.084 -5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.436 7.678 -5.792 1.00 0.00 H new