USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 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 66 LYS NZ :NH3+ 177:sc= 1.79 (180deg=1.14) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0.326 USER MOD Set 2.1: A 75 TYR OH : rot 130:sc= 0.633 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 157:sc= 0.771 (180deg=0.0441) USER MOD Single : A 10 TYR OH : rot 180:sc= 0.255 USER MOD Single : A 13 SER OG : rot 92:sc= 0.00371 USER MOD Single : A 15 MET CE :methyl -147:sc= -3.43! (180deg=-7.8!) USER MOD Single : A 20 THR OG1 : rot -76:sc= -0.334 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 0:sc= -0.788 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 150:sc= -1.03 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 96:sc= 1.23 USER MOD Single : A 43 HIS : no HD1:sc= -0.732 X(o=-0.73,f=-0.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 173:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.0191 K(o=0.019,f=-1.8) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00229 USER MOD Single : A 67 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.3) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.16) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= 1.31 (180deg=0.978) USER MOD Single : A 80 SER OG : rot 108:sc= 1.22 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 164:sc= -1.89 (180deg=-2.16) USER MOD Single : A 89 GLN : amide:sc= 0.0928 K(o=0.093,f=-6.6!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 92 SER OG : rot -170:sc= 0.0738 USER MOD Single : A 97 ASN : amide:sc= -0.0708 X(o=-0.071,f=-0.071) USER MOD Single : A 100 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.583 F(o=-0.31,f=0.58) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 90:sc= 0.12 USER MOD Single : A 122 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.2) USER MOD Single : A 124 THR OG1 : rot -96:sc= 0.85 USER MOD Single : A 126 SER OG : rot 88:sc= 0.769 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.904 14.498 3.762 1.00 0.00 N ATOM 93 CA TYR A 10 8.464 14.655 3.695 1.00 0.00 C ATOM 94 C TYR A 10 7.931 14.416 2.276 1.00 0.00 C ATOM 95 O TYR A 10 6.864 13.824 2.117 1.00 0.00 O ATOM 96 CB TYR A 10 8.148 16.068 4.191 1.00 0.00 C ATOM 97 CG TYR A 10 6.748 16.532 3.876 1.00 0.00 C ATOM 98 CD1 TYR A 10 6.496 17.175 2.651 1.00 0.00 C ATOM 99 CD2 TYR A 10 5.708 16.311 4.793 1.00 0.00 C ATOM 100 CE1 TYR A 10 5.198 17.634 2.366 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.408 16.757 4.510 1.00 0.00 C ATOM 102 CZ TYR A 10 4.153 17.435 3.301 1.00 0.00 C ATOM 103 OH TYR A 10 2.928 17.970 3.065 1.00 0.00 O ATOM 0 HA TYR A 10 7.969 13.912 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.297 16.105 5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.859 16.765 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.293 17.315 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.909 15.795 5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.998 18.139 1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.608 16.582 5.214 1.00 0.00 H new ATOM 0 HH TYR A 10 2.324 17.741 3.801 1.00 0.00 H new ATOM 113 N TRP A 11 8.654 14.827 1.220 1.00 0.00 N ATOM 114 CA TRP A 11 8.150 14.665 -0.148 1.00 0.00 C ATOM 115 C TRP A 11 7.899 13.202 -0.527 1.00 0.00 C ATOM 116 O TRP A 11 7.126 12.930 -1.444 1.00 0.00 O ATOM 117 CB TRP A 11 9.043 15.352 -1.190 1.00 0.00 C ATOM 118 CG TRP A 11 8.258 16.125 -2.211 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.965 17.434 -2.088 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.621 15.701 -3.462 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.216 17.864 -3.161 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.980 16.838 -4.046 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.510 14.487 -4.176 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.294 16.779 -5.267 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.802 14.413 -5.393 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.197 15.554 -5.944 1.00 0.00 C ATOM 0 H TRP A 11 9.572 15.266 1.288 1.00 0.00 H new ATOM 0 HA TRP A 11 7.183 15.169 -0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.733 16.026 -0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.647 14.599 -1.697 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.274 18.059 -1.263 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.880 18.819 -3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.977 13.597 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.844 17.668 -5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.724 13.467 -5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.662 15.489 -6.880 1.00 0.00 H new ATOM 137 N ARG A 12 8.513 12.238 0.167 1.00 0.00 N ATOM 138 CA ARG A 12 8.240 10.821 -0.059 1.00 0.00 C ATOM 139 C ARG A 12 6.754 10.519 0.203 1.00 0.00 C ATOM 140 O ARG A 12 6.188 9.683 -0.498 1.00 0.00 O ATOM 141 CB ARG A 12 9.179 9.947 0.798 1.00 0.00 C ATOM 142 CG ARG A 12 10.682 10.246 0.615 1.00 0.00 C ATOM 143 CD ARG A 12 11.316 9.831 -0.715 1.00 0.00 C ATOM 144 NE ARG A 12 12.305 10.807 -1.200 1.00 0.00 N ATOM 145 CZ ARG A 12 12.078 11.849 -2.003 1.00 0.00 C ATOM 146 NH1 ARG A 12 10.851 12.125 -2.439 1.00 0.00 N ATOM 147 NH2 ARG A 12 13.095 12.610 -2.366 1.00 0.00 N ATOM 0 H ARG A 12 9.206 12.418 0.893 1.00 0.00 H new ATOM 0 HA ARG A 12 8.441 10.575 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.921 10.082 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.999 8.899 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.832 11.318 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.226 9.751 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.797 8.860 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.533 9.710 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 12 13.267 10.673 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.066 11.536 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.696 12.925 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.035 12.397 -2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.940 13.410 -2.979 1.00 0.00 H new ATOM 161 N SER A 13 6.104 11.218 1.141 1.00 0.00 N ATOM 162 CA SER A 13 4.682 11.072 1.430 1.00 0.00 C ATOM 163 C SER A 13 3.858 11.470 0.216 1.00 0.00 C ATOM 164 O SER A 13 2.932 10.763 -0.175 1.00 0.00 O ATOM 165 CB SER A 13 4.341 11.951 2.640 1.00 0.00 C ATOM 166 OG SER A 13 2.994 11.819 3.038 1.00 0.00 O ATOM 0 H SER A 13 6.565 11.913 1.729 1.00 0.00 H new ATOM 0 HA SER A 13 4.448 10.033 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.991 11.685 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.545 12.994 2.397 1.00 0.00 H new ATOM 0 HG SER A 13 2.922 11.123 3.724 1.00 0.00 H new ATOM 172 N ARG A 14 4.203 12.602 -0.402 1.00 0.00 N ATOM 173 CA ARG A 14 3.435 13.185 -1.496 1.00 0.00 C ATOM 174 C ARG A 14 3.330 12.233 -2.680 1.00 0.00 C ATOM 175 O ARG A 14 2.357 12.309 -3.420 1.00 0.00 O ATOM 176 CB ARG A 14 4.054 14.529 -1.922 1.00 0.00 C ATOM 177 CG ARG A 14 4.279 15.509 -0.753 1.00 0.00 C ATOM 178 CD ARG A 14 3.029 15.794 0.087 1.00 0.00 C ATOM 179 NE ARG A 14 2.007 16.504 -0.694 1.00 0.00 N ATOM 180 CZ ARG A 14 1.023 17.292 -0.251 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.866 17.556 1.043 1.00 0.00 N ATOM 182 NH2 ARG A 14 0.191 17.807 -1.147 1.00 0.00 N ATOM 0 H ARG A 14 5.032 13.142 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 14 2.421 13.364 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.008 14.339 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.404 15.000 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.055 15.106 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.655 16.451 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.618 14.856 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.302 16.390 0.958 1.00 0.00 H new ATOM 0 HE ARG A 14 2.055 16.379 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.506 17.153 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.105 18.161 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.314 17.597 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.572 18.413 -0.845 1.00 0.00 H new ATOM 196 N MET A 15 4.299 11.332 -2.859 1.00 0.00 N ATOM 197 CA MET A 15 4.266 10.343 -3.928 1.00 0.00 C ATOM 198 C MET A 15 3.107 9.376 -3.709 1.00 0.00 C ATOM 199 O MET A 15 2.367 9.083 -4.645 1.00 0.00 O ATOM 200 CB MET A 15 5.558 9.521 -3.928 1.00 0.00 C ATOM 201 CG MET A 15 6.862 10.316 -3.975 1.00 0.00 C ATOM 202 SD MET A 15 7.476 10.838 -5.589 1.00 0.00 S ATOM 203 CE MET A 15 7.521 9.228 -6.411 1.00 0.00 C ATOM 0 H MET A 15 5.126 11.271 -2.265 1.00 0.00 H new ATOM 0 HA MET A 15 4.151 10.873 -4.874 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.568 8.898 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.536 8.848 -4.785 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.732 11.208 -3.362 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.638 9.714 -3.501 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.350 9.204 -7.119 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.656 8.443 -5.667 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.584 9.065 -6.944 1.00 0.00 H new ATOM 213 N ILE A 16 3.003 8.857 -2.481 1.00 0.00 N ATOM 214 CA ILE A 16 1.993 7.911 -2.043 1.00 0.00 C ATOM 215 C ILE A 16 0.638 8.615 -2.121 1.00 0.00 C ATOM 216 O ILE A 16 -0.294 8.127 -2.761 1.00 0.00 O ATOM 217 CB ILE A 16 2.338 7.415 -0.609 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.766 6.812 -0.474 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.272 6.414 -0.115 1.00 0.00 C ATOM 220 CD1 ILE A 16 4.050 5.702 -1.474 1.00 0.00 C ATOM 0 H ILE A 16 3.656 9.102 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 16 1.958 7.026 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 16 2.331 8.301 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.501 7.606 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.894 6.423 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.528 6.076 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.297 6.900 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.238 5.557 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.062 5.327 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.337 4.890 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.954 6.092 -2.487 1.00 0.00 H new ATOM 232 N ASP A 17 0.548 9.787 -1.488 1.00 0.00 N ATOM 233 CA ASP A 17 -0.696 10.529 -1.332 1.00 0.00 C ATOM 234 C ASP A 17 -1.323 10.833 -2.692 1.00 0.00 C ATOM 235 O ASP A 17 -2.538 10.733 -2.878 1.00 0.00 O ATOM 236 CB ASP A 17 -0.443 11.819 -0.549 1.00 0.00 C ATOM 237 CG ASP A 17 -1.631 12.152 0.345 1.00 0.00 C ATOM 238 OD1 ASP A 17 -2.786 12.236 -0.130 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.389 12.311 1.565 1.00 0.00 O ATOM 0 H ASP A 17 1.352 10.250 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.400 9.914 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.456 11.711 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.262 12.641 -1.242 1.00 0.00 H new ATOM 244 N ALA A 18 -0.476 11.169 -3.668 1.00 0.00 N ATOM 245 CA ALA A 18 -0.876 11.596 -4.992 1.00 0.00 C ATOM 246 C ALA A 18 -1.580 10.513 -5.820 1.00 0.00 C ATOM 247 O ALA A 18 -2.235 10.882 -6.795 1.00 0.00 O ATOM 248 CB ALA A 18 0.357 12.132 -5.720 1.00 0.00 C ATOM 0 H ALA A 18 0.536 11.147 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.626 12.378 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.075 12.459 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.769 12.975 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.107 11.345 -5.793 1.00 0.00 H new ATOM 254 N VAL A 19 -1.511 9.223 -5.472 1.00 0.00 N ATOM 255 CA VAL A 19 -2.374 8.194 -6.066 1.00 0.00 C ATOM 256 C VAL A 19 -3.515 7.774 -5.137 1.00 0.00 C ATOM 257 O VAL A 19 -4.483 7.165 -5.607 1.00 0.00 O ATOM 258 CB VAL A 19 -1.573 6.954 -6.502 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.538 7.333 -7.557 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.918 6.233 -5.319 1.00 0.00 C ATOM 0 H VAL A 19 -0.859 8.864 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.814 8.655 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.280 6.250 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.020 6.445 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.042 7.753 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.149 8.072 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.366 5.366 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.234 6.913 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.688 5.906 -4.620 1.00 0.00 H new ATOM 270 N THR A 20 -3.430 8.057 -3.834 1.00 0.00 N ATOM 271 CA THR A 20 -4.468 7.743 -2.861 1.00 0.00 C ATOM 272 C THR A 20 -5.434 8.936 -2.725 1.00 0.00 C ATOM 273 O THR A 20 -6.031 9.136 -1.669 1.00 0.00 O ATOM 274 CB THR A 20 -3.844 7.229 -1.546 1.00 0.00 C ATOM 275 OG1 THR A 20 -2.935 8.137 -0.981 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.057 5.930 -1.764 1.00 0.00 C ATOM 0 H THR A 20 -2.620 8.520 -3.423 1.00 0.00 H new ATOM 0 HA THR A 20 -5.086 6.914 -3.205 1.00 0.00 H new ATOM 0 HB THR A 20 -4.694 7.079 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.095 8.115 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.632 5.598 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.725 5.161 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.254 6.107 -2.479 1.00 0.00 H new ATOM 284 N SER A 21 -5.608 9.747 -3.776 1.00 0.00 N ATOM 285 CA SER A 21 -6.585 10.829 -3.816 1.00 0.00 C ATOM 286 C SER A 21 -7.985 10.268 -3.556 1.00 0.00 C ATOM 287 O SER A 21 -8.368 9.244 -4.122 1.00 0.00 O ATOM 288 CB SER A 21 -6.536 11.522 -5.178 1.00 0.00 C ATOM 289 OG SER A 21 -5.201 11.840 -5.532 1.00 0.00 O ATOM 0 H SER A 21 -5.062 9.664 -4.634 1.00 0.00 H new ATOM 0 HA SER A 21 -6.348 11.560 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.974 10.874 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.136 12.431 -5.150 1.00 0.00 H new ATOM 0 HG SER A 21 -5.191 12.281 -6.407 1.00 0.00 H new ATOM 295 N ASP A 22 -8.720 10.906 -2.655 1.00 0.00 N ATOM 296 CA ASP A 22 -10.121 10.691 -2.288 1.00 0.00 C ATOM 297 C ASP A 22 -11.009 10.982 -3.498 1.00 0.00 C ATOM 298 O ASP A 22 -11.508 12.093 -3.643 1.00 0.00 O ATOM 299 CB ASP A 22 -10.479 11.564 -1.065 1.00 0.00 C ATOM 300 CG ASP A 22 -9.797 12.935 -1.049 1.00 0.00 C ATOM 301 OD1 ASP A 22 -8.575 12.973 -0.776 1.00 0.00 O ATOM 302 OD2 ASP A 22 -10.427 13.981 -1.314 1.00 0.00 O ATOM 0 H ASP A 22 -8.313 11.663 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.287 9.653 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.559 11.708 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.208 11.026 -0.157 1.00 0.00 H new ATOM 307 N GLU A 23 -11.175 10.000 -4.390 1.00 0.00 N ATOM 308 CA GLU A 23 -11.878 10.121 -5.663 1.00 0.00 C ATOM 309 C GLU A 23 -12.383 8.743 -6.098 1.00 0.00 C ATOM 310 O GLU A 23 -11.647 7.753 -6.012 1.00 0.00 O ATOM 311 CB GLU A 23 -10.923 10.665 -6.746 1.00 0.00 C ATOM 312 CG GLU A 23 -10.743 12.190 -6.721 1.00 0.00 C ATOM 313 CD GLU A 23 -12.090 12.916 -6.792 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.889 12.592 -7.700 1.00 0.00 O ATOM 315 OE2 GLU A 23 -12.377 13.792 -5.947 1.00 0.00 O ATOM 0 H GLU A 23 -10.806 9.062 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.716 10.807 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.948 10.194 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.299 10.371 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.220 12.481 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.118 12.497 -7.560 1.00 0.00 H new ATOM 322 N ASP A 24 -13.618 8.683 -6.606 1.00 0.00 N ATOM 323 CA ASP A 24 -14.267 7.459 -7.095 1.00 0.00 C ATOM 324 C ASP A 24 -13.474 6.791 -8.219 1.00 0.00 C ATOM 325 O ASP A 24 -13.485 5.561 -8.328 1.00 0.00 O ATOM 326 CB ASP A 24 -15.690 7.749 -7.604 1.00 0.00 C ATOM 327 CG ASP A 24 -15.680 8.489 -8.940 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.518 9.730 -8.889 1.00 0.00 O ATOM 329 OD2 ASP A 24 -15.728 7.827 -10.003 1.00 0.00 O ATOM 0 H ASP A 24 -14.212 9.508 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.308 6.780 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.234 6.811 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.226 8.344 -6.864 1.00 0.00 H new ATOM 334 N LYS A 25 -12.793 7.581 -9.057 1.00 0.00 N ATOM 335 CA LYS A 25 -12.034 7.085 -10.198 1.00 0.00 C ATOM 336 C LYS A 25 -10.783 6.383 -9.687 1.00 0.00 C ATOM 337 O LYS A 25 -10.265 6.722 -8.618 1.00 0.00 O ATOM 338 CB LYS A 25 -11.707 8.268 -11.122 1.00 0.00 C ATOM 339 CG LYS A 25 -11.358 7.843 -12.557 1.00 0.00 C ATOM 340 CD LYS A 25 -9.853 7.796 -12.829 1.00 0.00 C ATOM 341 CE LYS A 25 -9.340 9.185 -13.194 1.00 0.00 C ATOM 342 NZ LYS A 25 -7.874 9.185 -13.362 1.00 0.00 N ATOM 0 H LYS A 25 -12.757 8.595 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.607 6.360 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.561 8.945 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.870 8.827 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.785 6.859 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.824 8.536 -13.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.328 7.426 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.644 7.099 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.814 9.520 -14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.620 9.895 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.553 10.143 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.423 8.888 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.612 8.525 -14.121 1.00 0.00 H new ATOM 356 N VAL A 26 -10.246 5.427 -10.438 1.00 0.00 N ATOM 357 CA VAL A 26 -9.076 4.673 -10.005 1.00 0.00 C ATOM 358 C VAL A 26 -7.849 5.199 -10.775 1.00 0.00 C ATOM 359 O VAL A 26 -7.908 5.367 -11.993 1.00 0.00 O ATOM 360 CB VAL A 26 -9.370 3.158 -10.102 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.738 2.783 -9.496 1.00 0.00 C ATOM 362 CG2 VAL A 26 -9.333 2.583 -11.517 1.00 0.00 C ATOM 0 H VAL A 26 -10.605 5.156 -11.353 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.835 4.821 -8.952 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.552 2.720 -9.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.895 1.708 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.758 3.062 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.529 3.313 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.551 1.516 -11.482 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.078 3.086 -12.134 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.343 2.737 -11.947 1.00 0.00 H new ATOM 372 N ALA A 27 -6.750 5.533 -10.085 1.00 0.00 N ATOM 373 CA ALA A 27 -5.546 6.091 -10.715 1.00 0.00 C ATOM 374 C ALA A 27 -4.918 5.088 -11.701 1.00 0.00 C ATOM 375 O ALA A 27 -5.127 3.880 -11.532 1.00 0.00 O ATOM 376 CB ALA A 27 -4.528 6.457 -9.627 1.00 0.00 C ATOM 0 H ALA A 27 -6.671 5.424 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.829 6.982 -11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.633 6.872 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.964 7.196 -8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.263 5.564 -9.061 1.00 0.00 H new ATOM 382 N PRO A 28 -4.120 5.536 -12.684 1.00 0.00 N ATOM 383 CA PRO A 28 -3.438 4.632 -13.605 1.00 0.00 C ATOM 384 C PRO A 28 -2.236 3.970 -12.928 1.00 0.00 C ATOM 385 O PRO A 28 -1.703 4.474 -11.937 1.00 0.00 O ATOM 386 CB PRO A 28 -2.958 5.506 -14.757 1.00 0.00 C ATOM 387 CG PRO A 28 -2.730 6.847 -14.081 1.00 0.00 C ATOM 388 CD PRO A 28 -3.781 6.918 -12.989 1.00 0.00 C ATOM 0 HA PRO A 28 -4.102 3.834 -13.938 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.044 5.118 -15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.701 5.574 -15.552 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.724 6.914 -13.666 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.839 7.669 -14.788 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.397 7.431 -12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.658 7.472 -13.324 1.00 0.00 H new ATOM 396 N VAL A 29 -1.756 2.875 -13.515 1.00 0.00 N ATOM 397 CA VAL A 29 -0.632 2.125 -12.969 1.00 0.00 C ATOM 398 C VAL A 29 0.673 2.922 -13.040 1.00 0.00 C ATOM 399 O VAL A 29 1.497 2.781 -12.138 1.00 0.00 O ATOM 400 CB VAL A 29 -0.497 0.766 -13.676 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.677 -0.026 -13.081 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.775 -0.074 -13.502 1.00 0.00 C ATOM 0 H VAL A 29 -2.135 2.486 -14.378 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.835 1.943 -11.914 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.327 0.962 -14.735 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.763 -0.986 -13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.600 0.538 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.502 -0.193 -12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.654 -1.030 -14.011 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.954 -0.248 -12.441 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.623 0.460 -13.930 1.00 0.00 H new ATOM 412 N TYR A 30 0.868 3.780 -14.048 1.00 0.00 N ATOM 413 CA TYR A 30 2.150 4.470 -14.197 1.00 0.00 C ATOM 414 C TYR A 30 2.451 5.418 -13.025 1.00 0.00 C ATOM 415 O TYR A 30 3.615 5.739 -12.765 1.00 0.00 O ATOM 416 CB TYR A 30 2.239 5.190 -15.546 1.00 0.00 C ATOM 417 CG TYR A 30 1.473 6.495 -15.615 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.055 7.676 -15.116 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.184 6.527 -16.170 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.364 8.893 -15.188 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.511 7.748 -16.256 1.00 0.00 C ATOM 422 CZ TYR A 30 0.075 8.936 -15.760 1.00 0.00 C ATOM 423 OH TYR A 30 -0.618 10.106 -15.765 1.00 0.00 O ATOM 0 H TYR A 30 0.171 4.008 -14.757 1.00 0.00 H new ATOM 0 HA TYR A 30 2.925 3.704 -14.176 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.287 5.387 -15.770 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.867 4.524 -16.324 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.040 7.644 -14.675 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.273 5.617 -16.530 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.817 9.796 -14.806 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.494 7.778 -16.702 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.082 10.806 -15.337 1.00 0.00 H new ATOM 433 N LYS A 31 1.419 5.856 -12.293 1.00 0.00 N ATOM 434 CA LYS A 31 1.597 6.636 -11.075 1.00 0.00 C ATOM 435 C LYS A 31 1.914 5.735 -9.876 1.00 0.00 C ATOM 436 O LYS A 31 2.432 6.229 -8.880 1.00 0.00 O ATOM 437 CB LYS A 31 0.356 7.488 -10.795 1.00 0.00 C ATOM 438 CG LYS A 31 -0.001 8.470 -11.915 1.00 0.00 C ATOM 439 CD LYS A 31 -1.136 9.401 -11.486 1.00 0.00 C ATOM 440 CE LYS A 31 -1.618 10.181 -12.718 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.731 11.628 -12.472 1.00 0.00 N ATOM 0 H LYS A 31 0.444 5.677 -12.532 1.00 0.00 H new ATOM 0 HA LYS A 31 2.448 7.300 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.493 6.827 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.515 8.048 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.877 9.059 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.296 7.918 -12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.956 8.826 -11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.791 10.088 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.926 10.011 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.588 9.794 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.060 12.103 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.412 11.797 -11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.802 12.008 -12.201 1.00 0.00 H new ATOM 455 N LEU A 32 1.604 4.433 -9.921 1.00 0.00 N ATOM 456 CA LEU A 32 1.941 3.479 -8.869 1.00 0.00 C ATOM 457 C LEU A 32 3.397 3.042 -9.001 1.00 0.00 C ATOM 458 O LEU A 32 4.110 2.987 -8.001 1.00 0.00 O ATOM 459 CB LEU A 32 1.002 2.256 -8.901 1.00 0.00 C ATOM 460 CG LEU A 32 -0.507 2.555 -8.961 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.306 1.262 -9.105 1.00 0.00 C ATOM 462 CD2 LEU A 32 -1.027 3.273 -7.714 1.00 0.00 C ATOM 0 H LEU A 32 1.104 4.011 -10.704 1.00 0.00 H new ATOM 0 HA LEU A 32 1.808 3.974 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.264 1.646 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.196 1.653 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.640 3.206 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.370 1.494 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.011 0.752 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.108 0.615 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.097 3.455 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.848 2.652 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.507 4.224 -7.598 1.00 0.00 H new ATOM 474 N GLU A 33 3.834 2.685 -10.209 1.00 0.00 N ATOM 475 CA GLU A 33 5.115 2.011 -10.451 1.00 0.00 C ATOM 476 C GLU A 33 6.326 2.877 -10.088 1.00 0.00 C ATOM 477 O GLU A 33 7.373 2.339 -9.732 1.00 0.00 O ATOM 478 CB GLU A 33 5.165 1.549 -11.916 1.00 0.00 C ATOM 479 CG GLU A 33 5.296 2.724 -12.887 1.00 0.00 C ATOM 480 CD GLU A 33 5.005 2.357 -14.336 1.00 0.00 C ATOM 481 OE1 GLU A 33 4.161 1.468 -14.599 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.591 3.019 -15.217 1.00 0.00 O ATOM 0 H GLU A 33 3.301 2.858 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 33 5.175 1.145 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.007 0.871 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.261 0.986 -12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.614 3.516 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.306 3.128 -12.820 1.00 0.00 H new ATOM 489 N GLU A 34 6.187 4.203 -10.133 1.00 0.00 N ATOM 490 CA GLU A 34 7.266 5.140 -9.819 1.00 0.00 C ATOM 491 C GLU A 34 7.656 5.050 -8.336 1.00 0.00 C ATOM 492 O GLU A 34 8.811 5.261 -7.973 1.00 0.00 O ATOM 493 CB GLU A 34 6.825 6.556 -10.240 1.00 0.00 C ATOM 494 CG GLU A 34 7.564 7.677 -9.492 1.00 0.00 C ATOM 495 CD GLU A 34 7.315 9.072 -10.060 1.00 0.00 C ATOM 496 OE1 GLU A 34 6.210 9.342 -10.587 1.00 0.00 O ATOM 497 OE2 GLU A 34 8.192 9.954 -9.885 1.00 0.00 O ATOM 0 H GLU A 34 5.313 4.661 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 34 8.166 4.883 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.989 6.675 -11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.754 6.660 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.260 7.663 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.634 7.472 -9.516 1.00 0.00 H new ATOM 504 N ILE A 35 6.712 4.716 -7.459 1.00 0.00 N ATOM 505 CA ILE A 35 6.987 4.568 -6.035 1.00 0.00 C ATOM 506 C ILE A 35 7.775 3.274 -5.820 1.00 0.00 C ATOM 507 O ILE A 35 8.463 3.116 -4.814 1.00 0.00 O ATOM 508 CB ILE A 35 5.647 4.594 -5.273 1.00 0.00 C ATOM 509 CG1 ILE A 35 5.040 6.013 -5.242 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.715 4.197 -3.792 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.688 6.681 -6.570 1.00 0.00 C ATOM 0 H ILE A 35 5.740 4.541 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 35 7.597 5.385 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 35 5.058 3.865 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.133 5.973 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.741 6.663 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.718 4.250 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.095 3.179 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.380 4.879 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.273 7.671 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.587 6.775 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.953 6.074 -7.099 1.00 0.00 H new ATOM 523 N CYS A 36 7.686 2.316 -6.743 1.00 0.00 N ATOM 524 CA CYS A 36 8.560 1.158 -6.640 1.00 0.00 C ATOM 525 C CYS A 36 10.005 1.609 -6.848 1.00 0.00 C ATOM 526 O CYS A 36 10.907 1.147 -6.158 1.00 0.00 O ATOM 527 CB CYS A 36 8.218 0.063 -7.654 1.00 0.00 C ATOM 528 SG CYS A 36 6.482 -0.430 -7.559 1.00 0.00 S ATOM 0 H CYS A 36 7.045 2.318 -7.537 1.00 0.00 H new ATOM 0 HA CYS A 36 8.421 0.729 -5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.439 0.419 -8.660 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.852 -0.806 -7.477 1.00 0.00 H new ATOM 0 HG CYS A 36 6.077 -0.820 -8.731 1.00 0.00 H new ATOM 534 N ASP A 37 10.196 2.524 -7.800 1.00 0.00 N ATOM 535 CA ASP A 37 11.484 3.068 -8.205 1.00 0.00 C ATOM 536 C ASP A 37 12.184 3.726 -7.024 1.00 0.00 C ATOM 537 O ASP A 37 13.325 3.382 -6.713 1.00 0.00 O ATOM 538 CB ASP A 37 11.277 4.093 -9.336 1.00 0.00 C ATOM 539 CG ASP A 37 12.347 4.021 -10.415 1.00 0.00 C ATOM 540 OD1 ASP A 37 13.499 3.606 -10.128 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.021 4.282 -11.591 1.00 0.00 O ATOM 0 H ASP A 37 9.420 2.920 -8.330 1.00 0.00 H new ATOM 0 HA ASP A 37 12.113 2.254 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.300 3.930 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.267 5.096 -8.910 1.00 0.00 H new ATOM 546 N LEU A 38 11.483 4.626 -6.318 1.00 0.00 N ATOM 547 CA LEU A 38 12.040 5.303 -5.152 1.00 0.00 C ATOM 548 C LEU A 38 12.447 4.290 -4.099 1.00 0.00 C ATOM 549 O LEU A 38 13.578 4.347 -3.628 1.00 0.00 O ATOM 550 CB LEU A 38 11.076 6.314 -4.527 1.00 0.00 C ATOM 551 CG LEU A 38 11.491 7.749 -4.886 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.487 8.878 -4.844 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.792 8.222 -4.221 1.00 0.00 C ATOM 0 H LEU A 38 10.526 4.898 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 38 12.910 5.855 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.062 6.124 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.065 6.193 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 38 11.625 7.563 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.975 9.810 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.673 8.667 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.088 8.973 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.008 9.245 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.680 8.187 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.612 7.571 -4.523 1.00 0.00 H new ATOM 565 N LEU A 39 11.552 3.370 -3.724 1.00 0.00 N ATOM 566 CA LEU A 39 11.816 2.419 -2.650 1.00 0.00 C ATOM 567 C LEU A 39 13.036 1.553 -2.988 1.00 0.00 C ATOM 568 O LEU A 39 13.804 1.183 -2.099 1.00 0.00 O ATOM 569 CB LEU A 39 10.639 1.457 -2.415 1.00 0.00 C ATOM 570 CG LEU A 39 9.400 2.020 -1.716 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.182 1.132 -1.995 1.00 0.00 C ATOM 572 CD2 LEU A 39 9.661 2.131 -0.220 1.00 0.00 C ATOM 0 H LEU A 39 10.633 3.267 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 39 11.984 3.018 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.330 1.060 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.004 0.615 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 39 9.188 3.015 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.308 1.545 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.998 1.094 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.373 0.125 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.777 2.532 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.887 1.144 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.507 2.796 -0.047 1.00 0.00 H new ATOM 584 N ARG A 40 13.198 1.196 -4.267 1.00 0.00 N ATOM 585 CA ARG A 40 14.320 0.409 -4.764 1.00 0.00 C ATOM 586 C ARG A 40 15.597 1.236 -4.670 1.00 0.00 C ATOM 587 O ARG A 40 16.591 0.765 -4.114 1.00 0.00 O ATOM 588 CB ARG A 40 13.999 -0.042 -6.204 1.00 0.00 C ATOM 589 CG ARG A 40 14.957 -1.097 -6.772 1.00 0.00 C ATOM 590 CD ARG A 40 16.257 -0.532 -7.358 1.00 0.00 C ATOM 591 NE ARG A 40 17.190 -1.618 -7.679 1.00 0.00 N ATOM 592 CZ ARG A 40 18.442 -1.504 -8.132 1.00 0.00 C ATOM 593 NH1 ARG A 40 18.985 -0.316 -8.368 1.00 0.00 N ATOM 594 NH2 ARG A 40 19.151 -2.603 -8.362 1.00 0.00 N ATOM 0 H ARG A 40 12.535 1.455 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 40 14.479 -0.486 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.985 -0.441 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.014 0.831 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.208 -1.804 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.438 -1.659 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.037 0.044 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.717 0.152 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 40 16.844 -2.567 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.445 0.533 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.943 -0.253 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.739 -3.521 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.108 -2.530 -8.708 1.00 0.00 H new ATOM 608 N SER A 41 15.586 2.439 -5.240 1.00 0.00 N ATOM 609 CA SER A 41 16.736 3.328 -5.334 1.00 0.00 C ATOM 610 C SER A 41 17.184 3.849 -3.966 1.00 0.00 C ATOM 611 O SER A 41 18.340 4.240 -3.793 1.00 0.00 O ATOM 612 CB SER A 41 16.330 4.497 -6.235 1.00 0.00 C ATOM 613 OG SER A 41 17.450 5.226 -6.692 1.00 0.00 O ATOM 0 H SER A 41 14.746 2.833 -5.663 1.00 0.00 H new ATOM 0 HA SER A 41 17.583 2.779 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.770 4.118 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.663 5.163 -5.687 1.00 0.00 H new ATOM 0 HG SER A 41 17.150 5.962 -7.265 1.00 0.00 H new ATOM 619 N SER A 42 16.282 3.878 -2.991 1.00 0.00 N ATOM 620 CA SER A 42 16.522 4.412 -1.669 1.00 0.00 C ATOM 621 C SER A 42 17.513 3.564 -0.866 1.00 0.00 C ATOM 622 O SER A 42 17.898 2.461 -1.270 1.00 0.00 O ATOM 623 CB SER A 42 15.171 4.514 -0.964 1.00 0.00 C ATOM 624 OG SER A 42 14.454 5.621 -1.464 1.00 0.00 O ATOM 0 H SER A 42 15.335 3.517 -3.110 1.00 0.00 H new ATOM 0 HA SER A 42 16.985 5.395 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.600 3.599 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.318 4.620 0.111 1.00 0.00 H new ATOM 0 HG SER A 42 13.837 5.322 -2.164 1.00 0.00 H new ATOM 630 N HIS A 43 17.901 4.074 0.302 1.00 0.00 N ATOM 631 CA HIS A 43 18.434 3.287 1.406 1.00 0.00 C ATOM 632 C HIS A 43 17.269 2.843 2.305 1.00 0.00 C ATOM 633 O HIS A 43 16.159 3.368 2.187 1.00 0.00 O ATOM 634 CB HIS A 43 19.501 4.108 2.143 1.00 0.00 C ATOM 635 CG HIS A 43 20.264 3.321 3.182 1.00 0.00 C ATOM 636 ND1 HIS A 43 20.357 3.647 4.512 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.971 2.164 2.988 1.00 0.00 C ATOM 638 CE1 HIS A 43 21.081 2.699 5.124 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.456 1.753 4.238 1.00 0.00 N ATOM 0 H HIS A 43 17.851 5.072 0.509 1.00 0.00 H new ATOM 0 HA HIS A 43 18.927 2.382 1.052 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.206 4.509 1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.022 4.960 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.126 1.661 2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 43 21.329 2.693 6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.988 0.906 4.438 1.00 0.00 H new ATOM 647 N VAL A 44 17.510 1.886 3.208 1.00 0.00 N ATOM 648 CA VAL A 44 16.477 1.307 4.069 1.00 0.00 C ATOM 649 C VAL A 44 15.749 2.377 4.893 1.00 0.00 C ATOM 650 O VAL A 44 14.543 2.263 5.084 1.00 0.00 O ATOM 651 CB VAL A 44 17.069 0.163 4.924 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.177 0.619 5.883 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.994 -0.580 5.724 1.00 0.00 C ATOM 0 H VAL A 44 18.437 1.489 3.362 1.00 0.00 H new ATOM 0 HA VAL A 44 15.706 0.864 3.439 1.00 0.00 H new ATOM 0 HB VAL A 44 17.514 -0.515 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.544 -0.237 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.997 1.054 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.779 1.365 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.459 -1.374 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.492 0.118 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.265 -1.013 5.039 1.00 0.00 H new ATOM 663 N SER A 45 16.434 3.437 5.329 1.00 0.00 N ATOM 664 CA SER A 45 15.820 4.499 6.115 1.00 0.00 C ATOM 665 C SER A 45 14.622 5.126 5.384 1.00 0.00 C ATOM 666 O SER A 45 13.620 5.447 6.012 1.00 0.00 O ATOM 667 CB SER A 45 16.908 5.524 6.445 1.00 0.00 C ATOM 668 OG SER A 45 16.601 6.256 7.611 1.00 0.00 O ATOM 0 H SER A 45 17.427 3.579 5.145 1.00 0.00 H new ATOM 0 HA SER A 45 15.411 4.095 7.041 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.861 5.012 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.028 6.210 5.606 1.00 0.00 H new ATOM 0 HG SER A 45 17.318 6.899 7.792 1.00 0.00 H new ATOM 674 N ILE A 46 14.708 5.274 4.058 1.00 0.00 N ATOM 675 CA ILE A 46 13.663 5.919 3.269 1.00 0.00 C ATOM 676 C ILE A 46 12.502 4.947 3.061 1.00 0.00 C ATOM 677 O ILE A 46 11.347 5.374 3.070 1.00 0.00 O ATOM 678 CB ILE A 46 14.203 6.382 1.904 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.688 6.811 1.878 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.345 7.479 1.268 1.00 0.00 C ATOM 681 CD1 ILE A 46 16.014 7.968 2.822 1.00 0.00 C ATOM 0 H ILE A 46 15.503 4.950 3.507 1.00 0.00 H new ATOM 0 HA ILE A 46 13.316 6.797 3.814 1.00 0.00 H new ATOM 0 HB ILE A 46 14.138 5.472 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.308 5.954 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.956 7.098 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.774 7.766 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.332 7.106 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.317 8.347 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.074 8.211 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.421 8.840 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.780 7.679 3.846 1.00 0.00 H new ATOM 693 N VAL A 47 12.800 3.651 2.869 1.00 0.00 N ATOM 694 CA VAL A 47 11.784 2.604 2.822 1.00 0.00 C ATOM 695 C VAL A 47 10.906 2.755 4.063 1.00 0.00 C ATOM 696 O VAL A 47 9.690 2.714 3.932 1.00 0.00 O ATOM 697 CB VAL A 47 12.413 1.198 2.796 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.342 0.103 2.866 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.245 0.978 1.524 1.00 0.00 C ATOM 0 H VAL A 47 13.752 3.308 2.743 1.00 0.00 H new ATOM 0 HA VAL A 47 11.199 2.711 1.908 1.00 0.00 H new ATOM 0 HB VAL A 47 13.059 1.135 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.821 -0.876 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.773 0.209 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.670 0.196 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.674 -0.024 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.606 1.086 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.047 1.715 1.481 1.00 0.00 H new ATOM 709 N LYS A 48 11.518 2.905 5.245 1.00 0.00 N ATOM 710 CA LYS A 48 10.829 2.920 6.532 1.00 0.00 C ATOM 711 C LYS A 48 9.913 4.121 6.717 1.00 0.00 C ATOM 712 O LYS A 48 9.150 4.113 7.680 1.00 0.00 O ATOM 713 CB LYS A 48 11.854 2.944 7.673 1.00 0.00 C ATOM 714 CG LYS A 48 12.704 1.678 7.788 1.00 0.00 C ATOM 715 CD LYS A 48 13.964 1.968 8.624 1.00 0.00 C ATOM 716 CE LYS A 48 14.111 0.988 9.780 1.00 0.00 C ATOM 717 NZ LYS A 48 13.082 1.200 10.821 1.00 0.00 N ATOM 0 H LYS A 48 12.528 3.021 5.330 1.00 0.00 H new ATOM 0 HA LYS A 48 10.218 2.018 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.515 3.799 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.327 3.100 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.124 0.881 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.988 1.328 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.845 1.912 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.916 2.985 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.039 -0.032 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.101 1.095 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.218 0.512 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.166 2.165 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.137 1.072 10.406 1.00 0.00 H new ATOM 731 N GLU A 49 9.992 5.141 5.865 1.00 0.00 N ATOM 732 CA GLU A 49 9.084 6.279 5.895 1.00 0.00 C ATOM 733 C GLU A 49 8.041 6.134 4.797 1.00 0.00 C ATOM 734 O GLU A 49 6.861 6.371 5.035 1.00 0.00 O ATOM 735 CB GLU A 49 9.877 7.583 5.735 1.00 0.00 C ATOM 736 CG GLU A 49 9.729 8.418 7.014 1.00 0.00 C ATOM 737 CD GLU A 49 10.828 9.464 7.098 1.00 0.00 C ATOM 738 OE1 GLU A 49 10.684 10.561 6.508 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.881 9.164 7.696 1.00 0.00 O ATOM 0 H GLU A 49 10.696 5.199 5.129 1.00 0.00 H new ATOM 0 HA GLU A 49 8.568 6.310 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.928 7.364 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.510 8.143 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.754 8.905 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.771 7.767 7.887 1.00 0.00 H new ATOM 746 N PHE A 50 8.452 5.703 3.603 1.00 0.00 N ATOM 747 CA PHE A 50 7.508 5.401 2.544 1.00 0.00 C ATOM 748 C PHE A 50 6.504 4.352 3.001 1.00 0.00 C ATOM 749 O PHE A 50 5.321 4.482 2.688 1.00 0.00 O ATOM 750 CB PHE A 50 8.230 4.873 1.311 1.00 0.00 C ATOM 751 CG PHE A 50 8.641 5.909 0.300 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.654 6.594 -0.432 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.998 6.077 -0.016 1.00 0.00 C ATOM 754 CE1 PHE A 50 8.024 7.375 -1.538 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.363 6.859 -1.120 1.00 0.00 C ATOM 756 CZ PHE A 50 9.373 7.455 -1.925 1.00 0.00 C ATOM 0 H PHE A 50 9.430 5.558 3.353 1.00 0.00 H new ATOM 0 HA PHE A 50 6.988 6.326 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.121 4.337 1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.584 4.147 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.616 6.519 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.758 5.605 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.271 7.915 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.407 7.005 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.648 7.970 -2.833 1.00 0.00 H new ATOM 766 N SER A 51 6.975 3.317 3.701 1.00 0.00 N ATOM 767 CA SER A 51 6.147 2.280 4.274 1.00 0.00 C ATOM 768 C SER A 51 5.082 2.942 5.129 1.00 0.00 C ATOM 769 O SER A 51 3.909 2.729 4.870 1.00 0.00 O ATOM 770 CB SER A 51 7.011 1.282 5.061 1.00 0.00 C ATOM 771 OG SER A 51 7.739 1.905 6.092 1.00 0.00 O ATOM 0 H SER A 51 7.970 3.184 3.883 1.00 0.00 H new ATOM 0 HA SER A 51 5.650 1.702 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.372 0.508 5.486 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.702 0.786 4.379 1.00 0.00 H new ATOM 0 HG SER A 51 8.182 1.222 6.638 1.00 0.00 H new ATOM 777 N GLU A 52 5.469 3.806 6.065 1.00 0.00 N ATOM 778 CA GLU A 52 4.511 4.538 6.891 1.00 0.00 C ATOM 779 C GLU A 52 3.471 5.263 6.040 1.00 0.00 C ATOM 780 O GLU A 52 2.284 5.065 6.281 1.00 0.00 O ATOM 781 CB GLU A 52 5.175 5.519 7.866 1.00 0.00 C ATOM 782 CG GLU A 52 6.107 4.820 8.859 1.00 0.00 C ATOM 783 CD GLU A 52 5.854 5.273 10.293 1.00 0.00 C ATOM 784 OE1 GLU A 52 6.474 6.272 10.731 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.067 4.615 11.010 1.00 0.00 O ATOM 0 H GLU A 52 6.445 4.017 6.271 1.00 0.00 H new ATOM 0 HA GLU A 52 4.008 3.781 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.741 6.260 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.403 6.058 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.968 3.741 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.143 5.026 8.591 1.00 0.00 H new ATOM 792 N PHE A 53 3.857 6.067 5.043 1.00 0.00 N ATOM 793 CA PHE A 53 2.871 6.838 4.293 1.00 0.00 C ATOM 794 C PHE A 53 1.869 5.924 3.568 1.00 0.00 C ATOM 795 O PHE A 53 0.743 6.362 3.298 1.00 0.00 O ATOM 796 CB PHE A 53 3.590 7.814 3.351 1.00 0.00 C ATOM 797 CG PHE A 53 4.626 8.705 4.030 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.324 9.359 5.242 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.911 8.853 3.469 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.307 10.114 5.906 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.894 9.607 4.137 1.00 0.00 C ATOM 802 CZ PHE A 53 6.595 10.231 5.359 1.00 0.00 C ATOM 0 H PHE A 53 4.824 6.197 4.745 1.00 0.00 H new ATOM 0 HA PHE A 53 2.273 7.429 4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.082 7.243 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.846 8.447 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.332 9.280 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.142 8.386 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.071 10.605 6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.881 9.706 3.709 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.354 10.799 5.877 1.00 0.00 H new ATOM 812 N ILE A 54 2.257 4.673 3.283 1.00 0.00 N ATOM 813 CA ILE A 54 1.402 3.618 2.756 1.00 0.00 C ATOM 814 C ILE A 54 0.542 3.019 3.873 1.00 0.00 C ATOM 815 O ILE A 54 -0.666 2.886 3.689 1.00 0.00 O ATOM 816 CB ILE A 54 2.246 2.536 2.047 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.026 3.118 0.844 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.366 1.385 1.544 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.255 2.287 0.459 1.00 0.00 C ATOM 0 H ILE A 54 3.219 4.363 3.422 1.00 0.00 H new ATOM 0 HA ILE A 54 0.730 4.049 2.014 1.00 0.00 H new ATOM 0 HB ILE A 54 2.952 2.162 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.358 3.186 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.343 4.133 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.989 0.640 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.851 0.925 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.632 1.771 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.756 2.750 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.942 2.241 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.942 1.278 0.190 1.00 0.00 H new ATOM 831 N LEU A 55 1.135 2.579 4.989 1.00 0.00 N ATOM 832 CA LEU A 55 0.448 1.777 6.001 1.00 0.00 C ATOM 833 C LEU A 55 -0.578 2.648 6.721 1.00 0.00 C ATOM 834 O LEU A 55 -1.712 2.219 6.926 1.00 0.00 O ATOM 835 CB LEU A 55 1.410 1.164 7.037 1.00 0.00 C ATOM 836 CG LEU A 55 2.583 0.342 6.481 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.810 0.612 7.335 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.327 -1.171 6.428 1.00 0.00 C ATOM 0 H LEU A 55 2.111 2.772 5.214 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.036 0.950 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.817 1.972 7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.831 0.525 7.704 1.00 0.00 H new ATOM 0 HG LEU A 55 2.725 0.659 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.653 0.036 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.051 1.674 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.607 0.320 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.205 -1.675 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.127 -1.542 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.467 -1.372 5.790 1.00 0.00 H new ATOM 850 N LYS A 56 -0.193 3.880 7.069 1.00 0.00 N ATOM 851 CA LYS A 56 -1.037 4.853 7.760 1.00 0.00 C ATOM 852 C LYS A 56 -2.295 5.152 6.947 1.00 0.00 C ATOM 853 O LYS A 56 -3.330 5.498 7.525 1.00 0.00 O ATOM 854 CB LYS A 56 -0.243 6.145 8.019 1.00 0.00 C ATOM 855 CG LYS A 56 1.029 5.962 8.869 1.00 0.00 C ATOM 856 CD LYS A 56 0.777 5.834 10.367 1.00 0.00 C ATOM 857 CE LYS A 56 2.129 5.584 11.046 1.00 0.00 C ATOM 858 NZ LYS A 56 1.986 5.477 12.510 1.00 0.00 N ATOM 0 H LYS A 56 0.742 4.236 6.871 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.345 4.430 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.037 6.581 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.896 6.862 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.555 5.072 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.691 6.810 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.315 6.741 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.089 5.014 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.570 4.667 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.815 6.396 10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.918 5.308 12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.588 6.361 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.351 4.686 12.740 1.00 0.00 H new ATOM 872 N ARG A 57 -2.243 4.983 5.619 1.00 0.00 N ATOM 873 CA ARG A 57 -3.393 5.125 4.736 1.00 0.00 C ATOM 874 C ARG A 57 -4.527 4.188 5.148 1.00 0.00 C ATOM 875 O ARG A 57 -5.695 4.530 4.977 1.00 0.00 O ATOM 876 CB ARG A 57 -2.938 4.827 3.296 1.00 0.00 C ATOM 877 CG ARG A 57 -3.704 5.599 2.218 1.00 0.00 C ATOM 878 CD ARG A 57 -3.595 7.114 2.352 1.00 0.00 C ATOM 879 NE ARG A 57 -2.210 7.548 2.614 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.743 8.796 2.697 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.495 9.843 2.375 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.495 8.970 3.111 1.00 0.00 N ATOM 0 H ARG A 57 -1.383 4.740 5.127 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.778 6.142 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.877 5.060 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.047 3.759 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.331 5.302 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.755 5.315 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.956 7.586 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.241 7.454 3.162 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.525 6.804 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.454 9.703 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.114 10.786 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.079 8.163 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.109 9.911 3.185 1.00 0.00 H new ATOM 896 N LEU A 58 -4.203 3.007 5.677 1.00 0.00 N ATOM 897 CA LEU A 58 -5.190 2.009 6.058 1.00 0.00 C ATOM 898 C LEU A 58 -5.881 2.360 7.374 1.00 0.00 C ATOM 899 O LEU A 58 -6.919 1.768 7.690 1.00 0.00 O ATOM 900 CB LEU A 58 -4.573 0.599 6.091 1.00 0.00 C ATOM 901 CG LEU A 58 -4.184 -0.019 4.732 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.192 0.217 3.600 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.834 0.470 4.221 1.00 0.00 C ATOM 0 H LEU A 58 -3.240 2.719 5.852 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.964 2.009 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.682 0.632 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.281 -0.071 6.579 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.155 -1.083 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.830 -0.255 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.155 -0.214 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.308 1.288 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.616 0.000 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.862 1.552 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.057 0.208 4.939 1.00 0.00 H new ATOM 915 N ASP A 59 -5.361 3.329 8.124 1.00 0.00 N ATOM 916 CA ASP A 59 -5.985 3.872 9.330 1.00 0.00 C ATOM 917 C ASP A 59 -6.879 5.079 9.002 1.00 0.00 C ATOM 918 O ASP A 59 -7.489 5.656 9.906 1.00 0.00 O ATOM 919 CB ASP A 59 -4.889 4.266 10.340 1.00 0.00 C ATOM 920 CG ASP A 59 -4.996 3.439 11.618 1.00 0.00 C ATOM 921 OD1 ASP A 59 -5.915 3.687 12.435 1.00 0.00 O ATOM 922 OD2 ASP A 59 -4.151 2.536 11.819 1.00 0.00 O ATOM 0 H ASP A 59 -4.469 3.771 7.904 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.623 3.105 9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.907 4.121 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.976 5.326 10.581 1.00 0.00 H new ATOM 927 N ASN A 60 -6.941 5.514 7.738 1.00 0.00 N ATOM 928 CA ASN A 60 -7.631 6.736 7.327 1.00 0.00 C ATOM 929 C ASN A 60 -9.146 6.506 7.164 1.00 0.00 C ATOM 930 O ASN A 60 -9.604 5.369 7.003 1.00 0.00 O ATOM 931 CB ASN A 60 -7.031 7.213 6.008 1.00 0.00 C ATOM 932 CG ASN A 60 -7.244 8.698 5.810 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.338 9.139 5.478 1.00 0.00 O ATOM 934 ND2 ASN A 60 -6.223 9.495 6.052 1.00 0.00 N ATOM 0 H ASN A 60 -6.505 5.017 6.962 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.498 7.491 8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.964 6.991 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.484 6.665 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.333 10.505 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.323 9.102 6.327 1.00 0.00 H new ATOM 941 N LYS A 61 -9.950 7.572 7.220 1.00 0.00 N ATOM 942 CA LYS A 61 -11.406 7.494 7.336 1.00 0.00 C ATOM 943 C LYS A 61 -12.069 7.803 5.994 1.00 0.00 C ATOM 944 O LYS A 61 -12.735 8.820 5.823 1.00 0.00 O ATOM 945 CB LYS A 61 -11.918 8.404 8.466 1.00 0.00 C ATOM 946 CG LYS A 61 -11.528 7.929 9.876 1.00 0.00 C ATOM 947 CD LYS A 61 -10.079 8.274 10.249 1.00 0.00 C ATOM 948 CE LYS A 61 -9.869 8.331 11.760 1.00 0.00 C ATOM 949 NZ LYS A 61 -9.909 7.015 12.430 1.00 0.00 N ATOM 0 H LYS A 61 -9.599 8.529 7.185 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.682 6.474 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.529 9.411 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.004 8.469 8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.202 8.381 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.666 6.850 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.408 7.530 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.812 9.236 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.906 8.800 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.635 8.972 12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.758 7.141 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.836 6.571 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.161 6.405 12.042 1.00 0.00 H new ATOM 963 N SER A 62 -11.895 6.883 5.049 1.00 0.00 N ATOM 964 CA SER A 62 -12.588 6.818 3.769 1.00 0.00 C ATOM 965 C SER A 62 -12.491 5.363 3.306 1.00 0.00 C ATOM 966 O SER A 62 -11.452 4.731 3.531 1.00 0.00 O ATOM 967 CB SER A 62 -11.892 7.785 2.807 1.00 0.00 C ATOM 968 OG SER A 62 -12.295 7.610 1.465 1.00 0.00 O ATOM 0 H SER A 62 -11.228 6.120 5.164 1.00 0.00 H new ATOM 0 HA SER A 62 -13.637 7.108 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.103 8.809 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.813 7.647 2.878 1.00 0.00 H new ATOM 0 HG SER A 62 -11.823 8.252 0.895 1.00 0.00 H new ATOM 974 N PRO A 63 -13.502 4.800 2.629 1.00 0.00 N ATOM 975 CA PRO A 63 -13.351 3.542 1.903 1.00 0.00 C ATOM 976 C PRO A 63 -12.253 3.648 0.831 1.00 0.00 C ATOM 977 O PRO A 63 -11.425 2.753 0.674 1.00 0.00 O ATOM 978 CB PRO A 63 -14.733 3.262 1.295 1.00 0.00 C ATOM 979 CG PRO A 63 -15.392 4.634 1.211 1.00 0.00 C ATOM 980 CD PRO A 63 -14.777 5.435 2.340 1.00 0.00 C ATOM 0 HA PRO A 63 -13.035 2.726 2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.649 2.800 0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.311 2.580 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.203 5.104 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.474 4.560 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.638 6.476 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.423 5.432 3.218 1.00 0.00 H new ATOM 988 N ILE A 64 -12.252 4.740 0.071 1.00 0.00 N ATOM 989 CA ILE A 64 -11.520 4.875 -1.184 1.00 0.00 C ATOM 990 C ILE A 64 -10.030 4.873 -0.901 1.00 0.00 C ATOM 991 O ILE A 64 -9.268 4.105 -1.492 1.00 0.00 O ATOM 992 CB ILE A 64 -11.960 6.190 -1.850 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.466 6.154 -2.166 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.193 6.496 -3.131 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.094 7.514 -1.853 1.00 0.00 C ATOM 0 H ILE A 64 -12.776 5.579 0.319 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.733 4.043 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.739 6.982 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.621 5.905 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.952 5.375 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.549 7.436 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.129 6.579 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.351 5.692 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.160 7.483 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.953 7.746 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.617 8.283 -2.460 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.634 5.708 0.055 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.252 5.876 0.443 1.00 0.00 C ATOM 1009 C VAL A 65 -7.665 4.542 0.890 1.00 0.00 C ATOM 1010 O VAL A 65 -6.459 4.326 0.741 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.195 7.000 1.499 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.494 6.470 2.897 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.853 7.721 1.504 1.00 0.00 C ATOM 0 H VAL A 65 -10.280 6.292 0.585 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.623 6.186 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.966 7.717 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.445 7.289 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.492 6.032 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.759 5.710 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.863 8.503 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.058 7.009 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.677 8.168 0.526 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.502 3.650 1.446 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.981 2.362 1.879 1.00 0.00 C ATOM 1025 C LYS A 66 -7.659 1.579 0.612 1.00 0.00 C ATOM 1026 O LYS A 66 -6.522 1.151 0.425 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.996 1.557 2.724 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.730 1.533 4.230 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.453 2.604 5.035 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.914 2.177 5.226 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.670 3.255 5.892 1.00 0.00 N ATOM 0 H LYS A 66 -9.500 3.795 1.598 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.109 2.524 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.990 1.970 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.011 0.530 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.016 0.555 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.658 1.640 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.970 2.739 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.404 3.562 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.364 1.949 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.961 1.266 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.670 2.979 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.278 3.418 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.596 4.128 5.332 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.675 1.352 -0.230 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.582 0.523 -1.427 1.00 0.00 C ATOM 1047 C GLN A 67 -7.392 0.951 -2.291 1.00 0.00 C ATOM 1048 O GLN A 67 -6.633 0.105 -2.770 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.932 0.558 -2.167 1.00 0.00 C ATOM 1050 CG GLN A 67 -9.929 -0.298 -3.450 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.470 0.434 -4.723 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.123 1.616 -4.746 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -9.422 -0.273 -5.837 1.00 0.00 N ATOM 0 H GLN A 67 -9.603 1.751 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.387 -0.515 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.717 0.202 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.175 1.589 -2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.281 -1.160 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.936 -0.682 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.706 -1.253 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.101 0.160 -6.703 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.178 2.262 -2.431 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.089 2.801 -3.228 1.00 0.00 C ATOM 1064 C LYS A 68 -4.724 2.393 -2.683 1.00 0.00 C ATOM 1065 O LYS A 68 -3.854 2.071 -3.498 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.235 4.321 -3.350 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.410 4.652 -4.277 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.652 6.157 -4.396 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.725 6.453 -5.445 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.200 6.361 -6.810 1.00 0.00 N ATOM 0 H LYS A 68 -7.760 2.975 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.150 2.372 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.400 4.761 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.315 4.754 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.216 4.238 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.313 4.170 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.961 6.558 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.723 6.659 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.551 5.752 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.129 7.452 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.980 6.468 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.500 7.115 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.747 5.435 -6.946 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.507 2.389 -1.364 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.263 1.883 -0.800 1.00 0.00 C ATOM 1086 C ALA A 69 -3.154 0.374 -1.006 1.00 0.00 C ATOM 1087 O ALA A 69 -2.089 -0.119 -1.356 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.173 2.198 0.693 1.00 0.00 C ATOM 0 H ALA A 69 -5.176 2.730 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.440 2.377 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.235 1.810 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.211 3.277 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.009 1.732 1.214 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.239 -0.376 -0.802 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.201 -1.838 -0.828 1.00 0.00 C ATOM 1096 C LEU A 70 -3.659 -2.374 -2.151 1.00 0.00 C ATOM 1097 O LEU A 70 -2.717 -3.171 -2.142 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.591 -2.420 -0.529 1.00 0.00 C ATOM 1099 CG LEU A 70 -6.096 -2.160 0.894 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.543 -2.606 1.040 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.210 -2.869 1.909 1.00 0.00 C ATOM 0 H LEU A 70 -5.164 0.011 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.513 -2.160 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.306 -2.001 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.565 -3.496 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.050 -1.088 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.882 -2.413 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.167 -2.053 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.618 -3.673 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.582 -2.675 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.224 -3.942 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.189 -2.499 1.822 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.219 -1.927 -3.280 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.713 -2.320 -4.597 1.00 0.00 C ATOM 1115 C ARG A 71 -2.291 -1.822 -4.831 1.00 0.00 C ATOM 1116 O ARG A 71 -1.502 -2.528 -5.453 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.658 -1.848 -5.711 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.780 -0.320 -5.826 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.898 -0.004 -6.807 1.00 0.00 C ATOM 1120 NE ARG A 71 -5.850 1.379 -7.290 1.00 0.00 N ATOM 1121 CZ ARG A 71 -6.119 1.709 -8.556 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -6.764 0.876 -9.369 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -5.739 2.900 -8.993 1.00 0.00 N ATOM 0 H ARG A 71 -5.019 -1.295 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.679 -3.409 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.307 -2.246 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.648 -2.268 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.995 0.118 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.840 0.111 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.834 -0.684 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.860 -0.184 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.601 2.119 -6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.065 -0.038 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.958 1.151 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.253 3.542 -8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.933 3.176 -9.956 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.964 -0.621 -4.339 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.621 -0.073 -4.444 1.00 0.00 C ATOM 1139 C LEU A 72 0.375 -0.998 -3.743 1.00 0.00 C ATOM 1140 O LEU A 72 1.473 -1.135 -4.262 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.581 1.381 -3.910 1.00 0.00 C ATOM 1142 CG LEU A 72 0.829 1.982 -3.718 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.488 2.250 -5.073 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.766 3.296 -2.928 1.00 0.00 C ATOM 0 H LEU A 72 -2.625 -0.010 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.326 -0.021 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.137 2.017 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.103 1.413 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 72 1.420 1.256 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.480 2.673 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.575 1.315 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.879 2.953 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.772 3.697 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.151 4.016 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.330 3.110 -1.947 1.00 0.00 H new ATOM 1156 N ILE A 73 0.025 -1.614 -2.603 1.00 0.00 N ATOM 1157 CA ILE A 73 0.982 -2.350 -1.778 1.00 0.00 C ATOM 1158 C ILE A 73 1.479 -3.522 -2.587 1.00 0.00 C ATOM 1159 O ILE A 73 2.627 -3.519 -2.973 1.00 0.00 O ATOM 1160 CB ILE A 73 0.416 -2.768 -0.405 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.295 -1.540 0.508 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.338 -3.794 0.298 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.713 -1.731 1.641 1.00 0.00 C ATOM 0 H ILE A 73 -0.926 -1.613 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 73 1.815 -1.694 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.561 -3.219 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.273 -1.314 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.001 -0.678 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.910 -4.067 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.431 -4.685 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.323 -3.353 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.751 -0.828 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.699 -1.928 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.408 -2.574 2.261 1.00 0.00 H new ATOM 1175 N LYS A 74 0.637 -4.509 -2.873 1.00 0.00 N ATOM 1176 CA LYS A 74 1.026 -5.717 -3.595 1.00 0.00 C ATOM 1177 C LYS A 74 1.911 -5.437 -4.814 1.00 0.00 C ATOM 1178 O LYS A 74 2.960 -6.065 -4.956 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.213 -6.528 -3.990 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.282 -5.732 -4.760 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.151 -6.739 -5.515 1.00 0.00 C ATOM 1182 CE LYS A 74 -3.091 -6.115 -6.543 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.673 -7.175 -7.394 1.00 0.00 N ATOM 0 H LYS A 74 -0.348 -4.493 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 74 1.635 -6.306 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.102 -7.373 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.665 -6.939 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.888 -5.141 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.814 -5.034 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.502 -7.453 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.743 -7.302 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.884 -5.564 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.548 -5.398 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.626 -6.891 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.071 -7.319 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.732 -8.061 -6.853 1.00 0.00 H new ATOM 1197 N TYR A 75 1.515 -4.483 -5.655 1.00 0.00 N ATOM 1198 CA TYR A 75 2.263 -4.096 -6.833 1.00 0.00 C ATOM 1199 C TYR A 75 3.616 -3.528 -6.420 1.00 0.00 C ATOM 1200 O TYR A 75 4.645 -3.884 -6.990 1.00 0.00 O ATOM 1201 CB TYR A 75 1.432 -3.089 -7.634 1.00 0.00 C ATOM 1202 CG TYR A 75 2.108 -2.666 -8.920 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.600 -3.656 -9.790 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.251 -1.305 -9.260 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.239 -3.308 -10.984 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.900 -0.954 -10.450 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.383 -1.953 -11.326 1.00 0.00 C ATOM 1208 OH TYR A 75 3.978 -1.635 -12.504 1.00 0.00 O ATOM 0 H TYR A 75 0.652 -3.954 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 75 2.457 -4.960 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.461 -3.528 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.245 -2.208 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.483 -4.698 -9.532 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.862 -0.538 -8.607 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.620 -4.077 -11.640 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.033 0.088 -10.701 1.00 0.00 H new ATOM 0 HH TYR A 75 3.417 -0.996 -12.992 1.00 0.00 H new ATOM 1218 N ALA A 76 3.635 -2.700 -5.380 1.00 0.00 N ATOM 1219 CA ALA A 76 4.838 -2.198 -4.759 1.00 0.00 C ATOM 1220 C ALA A 76 5.585 -3.202 -3.877 1.00 0.00 C ATOM 1221 O ALA A 76 6.652 -2.836 -3.392 1.00 0.00 O ATOM 1222 CB ALA A 76 4.513 -1.004 -3.877 1.00 0.00 C ATOM 0 H ALA A 76 2.783 -2.354 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 76 5.485 -1.946 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.428 -0.634 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.068 -0.215 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.810 -1.306 -3.101 1.00 0.00 H new ATOM 1228 N VAL A 77 5.132 -4.444 -3.716 1.00 0.00 N ATOM 1229 CA VAL A 77 5.889 -5.480 -3.028 1.00 0.00 C ATOM 1230 C VAL A 77 6.590 -6.385 -4.038 1.00 0.00 C ATOM 1231 O VAL A 77 7.705 -6.850 -3.780 1.00 0.00 O ATOM 1232 CB VAL A 77 4.946 -6.272 -2.086 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.713 -7.398 -1.382 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.288 -5.474 -0.955 1.00 0.00 C ATOM 0 H VAL A 77 4.225 -4.758 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 77 6.667 -5.024 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 77 4.164 -6.614 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.036 -7.944 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.123 -8.080 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.525 -6.972 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.653 -6.135 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.060 -5.046 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.683 -4.673 -1.379 1.00 0.00 H new ATOM 1244 N GLY A 78 5.976 -6.615 -5.197 1.00 0.00 N ATOM 1245 CA GLY A 78 6.469 -7.552 -6.196 1.00 0.00 C ATOM 1246 C GLY A 78 7.769 -7.124 -6.903 1.00 0.00 C ATOM 1247 O GLY A 78 8.200 -7.819 -7.826 1.00 0.00 O ATOM 0 H GLY A 78 5.111 -6.148 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.634 -8.517 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.695 -7.698 -6.949 1.00 0.00 H new ATOM 1251 N LYS A 79 8.374 -5.976 -6.568 1.00 0.00 N ATOM 1252 CA LYS A 79 9.423 -5.317 -7.366 1.00 0.00 C ATOM 1253 C LYS A 79 10.452 -4.605 -6.480 1.00 0.00 C ATOM 1254 O LYS A 79 11.642 -4.648 -6.779 1.00 0.00 O ATOM 1255 CB LYS A 79 8.832 -4.224 -8.289 1.00 0.00 C ATOM 1256 CG LYS A 79 7.425 -4.431 -8.890 1.00 0.00 C ATOM 1257 CD LYS A 79 6.928 -3.216 -9.698 1.00 0.00 C ATOM 1258 CE LYS A 79 7.047 -3.462 -11.203 1.00 0.00 C ATOM 1259 NZ LYS A 79 6.840 -2.230 -11.999 1.00 0.00 N ATOM 0 H LYS A 79 8.144 -5.466 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 79 9.889 -6.115 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.815 -3.291 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.526 -4.083 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.438 -5.309 -9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.720 -4.638 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.889 -3.007 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.507 -2.334 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.033 -3.872 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.315 -4.212 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.295 -2.336 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.821 -2.068 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.258 -1.419 -11.499 1.00 0.00 H new ATOM 1273 N SER A 80 9.991 -3.899 -5.444 1.00 0.00 N ATOM 1274 CA SER A 80 10.700 -2.807 -4.782 1.00 0.00 C ATOM 1275 C SER A 80 11.934 -3.231 -3.980 1.00 0.00 C ATOM 1276 O SER A 80 12.636 -2.359 -3.468 1.00 0.00 O ATOM 1277 CB SER A 80 9.711 -2.099 -3.855 1.00 0.00 C ATOM 1278 OG SER A 80 8.609 -1.584 -4.573 1.00 0.00 O ATOM 0 H SER A 80 9.077 -4.082 -5.029 1.00 0.00 H new ATOM 0 HA SER A 80 11.079 -2.154 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.358 -2.797 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.217 -1.288 -3.332 1.00 0.00 H new ATOM 0 HG SER A 80 7.812 -2.121 -4.379 1.00 0.00 H new ATOM 1284 N GLY A 81 12.218 -4.529 -3.852 1.00 0.00 N ATOM 1285 CA GLY A 81 13.427 -5.034 -3.229 1.00 0.00 C ATOM 1286 C GLY A 81 13.147 -5.886 -1.993 1.00 0.00 C ATOM 1287 O GLY A 81 12.027 -6.372 -1.774 1.00 0.00 O ATOM 0 H GLY A 81 11.598 -5.266 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.983 -5.627 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.063 -4.195 -2.949 1.00 0.00 H new ATOM 1291 N SER A 82 14.209 -6.133 -1.233 1.00 0.00 N ATOM 1292 CA SER A 82 14.207 -6.893 0.005 1.00 0.00 C ATOM 1293 C SER A 82 13.736 -6.024 1.172 1.00 0.00 C ATOM 1294 O SER A 82 12.933 -6.479 1.982 1.00 0.00 O ATOM 1295 CB SER A 82 15.630 -7.384 0.281 1.00 0.00 C ATOM 1296 OG SER A 82 16.062 -8.310 -0.702 1.00 0.00 O ATOM 0 H SER A 82 15.138 -5.791 -1.479 1.00 0.00 H new ATOM 0 HA SER A 82 13.524 -7.737 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.311 -6.533 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.670 -7.852 1.265 1.00 0.00 H new ATOM 0 HG SER A 82 16.975 -8.602 -0.497 1.00 0.00 H new ATOM 1302 N GLU A 83 14.228 -4.786 1.284 1.00 0.00 N ATOM 1303 CA GLU A 83 13.981 -3.970 2.468 1.00 0.00 C ATOM 1304 C GLU A 83 12.470 -3.710 2.605 1.00 0.00 C ATOM 1305 O GLU A 83 11.875 -3.988 3.649 1.00 0.00 O ATOM 1306 CB GLU A 83 14.779 -2.656 2.392 1.00 0.00 C ATOM 1307 CG GLU A 83 16.295 -2.760 2.121 1.00 0.00 C ATOM 1308 CD GLU A 83 17.077 -3.704 3.038 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.998 -3.604 4.273 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.877 -4.533 2.530 1.00 0.00 O ATOM 0 H GLU A 83 14.797 -4.332 0.570 1.00 0.00 H new ATOM 0 HA GLU A 83 14.319 -4.503 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.338 -2.039 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.641 -2.123 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.438 -3.085 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.728 -1.763 2.204 1.00 0.00 H new ATOM 1317 N PHE A 84 11.831 -3.241 1.523 1.00 0.00 N ATOM 1318 CA PHE A 84 10.409 -2.912 1.517 1.00 0.00 C ATOM 1319 C PHE A 84 9.514 -4.110 1.825 1.00 0.00 C ATOM 1320 O PHE A 84 8.507 -3.938 2.517 1.00 0.00 O ATOM 1321 CB PHE A 84 10.003 -2.257 0.188 1.00 0.00 C ATOM 1322 CG PHE A 84 8.526 -1.910 0.140 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.014 -0.823 0.879 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.645 -2.720 -0.600 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.645 -0.521 0.837 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.264 -2.462 -0.566 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.763 -1.345 0.122 1.00 0.00 C ATOM 0 H PHE A 84 12.293 -3.081 0.628 1.00 0.00 H new ATOM 0 HA PHE A 84 10.257 -2.196 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.591 -1.352 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.242 -2.932 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.679 -0.221 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.029 -3.537 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.269 0.348 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.582 -3.128 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.706 -1.122 0.101 1.00 0.00 H new ATOM 1337 N ARG A 85 9.826 -5.310 1.312 1.00 0.00 N ATOM 1338 CA ARG A 85 8.901 -6.434 1.502 1.00 0.00 C ATOM 1339 C ARG A 85 8.801 -6.750 2.993 1.00 0.00 C ATOM 1340 O ARG A 85 7.702 -6.935 3.513 1.00 0.00 O ATOM 1341 CB ARG A 85 9.216 -7.655 0.603 1.00 0.00 C ATOM 1342 CG ARG A 85 10.443 -8.495 0.996 1.00 0.00 C ATOM 1343 CD ARG A 85 10.747 -9.661 0.046 1.00 0.00 C ATOM 1344 NE ARG A 85 11.243 -9.196 -1.261 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.581 -9.993 -2.281 1.00 0.00 C ATOM 1346 NH1 ARG A 85 11.598 -11.314 -2.174 1.00 0.00 N ATOM 1347 NH2 ARG A 85 11.873 -9.477 -3.461 1.00 0.00 N ATOM 0 H ARG A 85 10.673 -5.522 0.785 1.00 0.00 H new ATOM 0 HA ARG A 85 7.910 -6.138 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.343 -8.308 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.358 -7.300 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.315 -7.842 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.290 -8.891 2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.489 -10.316 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.844 -10.254 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 85 11.336 -8.190 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.347 -11.757 -1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.862 -11.887 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.841 -8.467 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.130 -10.089 -4.236 1.00 0.00 H new ATOM 1361 N ARG A 86 9.934 -6.740 3.702 1.00 0.00 N ATOM 1362 CA ARG A 86 9.952 -6.999 5.136 1.00 0.00 C ATOM 1363 C ARG A 86 9.306 -5.855 5.913 1.00 0.00 C ATOM 1364 O ARG A 86 8.606 -6.122 6.882 1.00 0.00 O ATOM 1365 CB ARG A 86 11.382 -7.271 5.618 1.00 0.00 C ATOM 1366 CG ARG A 86 12.125 -8.369 4.831 1.00 0.00 C ATOM 1367 CD ARG A 86 11.384 -9.711 4.713 1.00 0.00 C ATOM 1368 NE ARG A 86 10.956 -10.262 6.004 1.00 0.00 N ATOM 1369 CZ ARG A 86 11.675 -10.952 6.890 1.00 0.00 C ATOM 1370 NH1 ARG A 86 12.976 -11.148 6.710 1.00 0.00 N ATOM 1371 NH2 ARG A 86 11.042 -11.431 7.954 1.00 0.00 N ATOM 0 H ARG A 86 10.852 -6.554 3.299 1.00 0.00 H new ATOM 0 HA ARG A 86 9.359 -7.893 5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.955 -6.346 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.349 -7.555 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.330 -7.997 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.089 -8.546 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.509 -9.579 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.033 -10.432 4.217 1.00 0.00 H new ATOM 0 HE ARG A 86 9.982 -10.096 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.440 -10.768 5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.512 -11.678 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.042 -11.266 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.555 -11.964 8.656 1.00 0.00 H new ATOM 1385 N GLU A 87 9.478 -4.599 5.491 1.00 0.00 N ATOM 1386 CA GLU A 87 8.762 -3.470 6.086 1.00 0.00 C ATOM 1387 C GLU A 87 7.254 -3.672 6.022 1.00 0.00 C ATOM 1388 O GLU A 87 6.589 -3.494 7.043 1.00 0.00 O ATOM 1389 CB GLU A 87 9.210 -2.139 5.454 1.00 0.00 C ATOM 1390 CG GLU A 87 10.270 -1.430 6.314 1.00 0.00 C ATOM 1391 CD GLU A 87 9.668 -0.910 7.620 1.00 0.00 C ATOM 1392 OE1 GLU A 87 8.943 0.110 7.575 1.00 0.00 O ATOM 1393 OE2 GLU A 87 9.825 -1.570 8.672 1.00 0.00 O ATOM 0 H GLU A 87 10.111 -4.339 4.735 1.00 0.00 H new ATOM 0 HA GLU A 87 9.021 -3.421 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.614 -2.326 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.346 -1.486 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.083 -2.121 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.701 -0.600 5.754 1.00 0.00 H new ATOM 1400 N MET A 88 6.703 -4.084 4.881 1.00 0.00 N ATOM 1401 CA MET A 88 5.276 -4.375 4.802 1.00 0.00 C ATOM 1402 C MET A 88 4.893 -5.509 5.759 1.00 0.00 C ATOM 1403 O MET A 88 3.864 -5.376 6.413 1.00 0.00 O ATOM 1404 CB MET A 88 4.883 -4.698 3.358 1.00 0.00 C ATOM 1405 CG MET A 88 4.889 -3.447 2.478 1.00 0.00 C ATOM 1406 SD MET A 88 3.523 -2.283 2.778 1.00 0.00 S ATOM 1407 CE MET A 88 4.399 -0.953 3.633 1.00 0.00 C ATOM 0 H MET A 88 7.216 -4.222 4.011 1.00 0.00 H new ATOM 0 HA MET A 88 4.721 -3.490 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.574 -5.435 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.891 -5.149 3.343 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.832 -2.922 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.859 -3.757 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.783 -0.054 3.634 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.604 -1.254 4.660 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.339 -0.748 3.121 1.00 0.00 H new ATOM 1417 N GLN A 89 5.700 -6.573 5.915 1.00 0.00 N ATOM 1418 CA GLN A 89 5.432 -7.606 6.924 1.00 0.00 C ATOM 1419 C GLN A 89 5.346 -6.998 8.321 1.00 0.00 C ATOM 1420 O GLN A 89 4.385 -7.275 9.038 1.00 0.00 O ATOM 1421 CB GLN A 89 6.498 -8.705 6.970 1.00 0.00 C ATOM 1422 CG GLN A 89 6.697 -9.511 5.694 1.00 0.00 C ATOM 1423 CD GLN A 89 7.758 -10.591 5.907 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.329 -10.765 6.985 1.00 0.00 O ATOM 1425 NE2 GLN A 89 8.125 -11.283 4.856 1.00 0.00 N ATOM 0 H GLN A 89 6.538 -6.737 5.357 1.00 0.00 H new ATOM 0 HA GLN A 89 4.482 -8.050 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.450 -8.246 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.242 -9.396 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.755 -9.971 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.000 -8.850 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.654 -11.141 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.881 -11.963 4.932 1.00 0.00 H new ATOM 1434 N ARG A 90 6.326 -6.166 8.708 1.00 0.00 N ATOM 1435 CA ARG A 90 6.422 -5.609 10.060 1.00 0.00 C ATOM 1436 C ARG A 90 5.116 -4.966 10.509 1.00 0.00 C ATOM 1437 O ARG A 90 4.779 -5.072 11.685 1.00 0.00 O ATOM 1438 CB ARG A 90 7.589 -4.606 10.197 1.00 0.00 C ATOM 1439 CG ARG A 90 8.962 -5.289 10.276 1.00 0.00 C ATOM 1440 CD ARG A 90 10.077 -4.425 10.881 1.00 0.00 C ATOM 1441 NE ARG A 90 11.383 -5.093 10.707 1.00 0.00 N ATOM 1442 CZ ARG A 90 12.365 -5.308 11.594 1.00 0.00 C ATOM 1443 NH1 ARG A 90 12.339 -4.798 12.823 1.00 0.00 N ATOM 1444 NH2 ARG A 90 13.405 -6.050 11.227 1.00 0.00 N ATOM 0 H ARG A 90 7.075 -5.862 8.087 1.00 0.00 H new ATOM 0 HA ARG A 90 6.626 -6.453 10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.577 -3.925 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.438 -4.002 11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.866 -6.199 10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.260 -5.591 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.092 -3.447 10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.884 -4.256 11.940 1.00 0.00 H new ATOM 0 HE ARG A 90 11.566 -5.445 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.552 -4.220 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.106 -4.985 13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.445 -6.443 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.163 -6.226 11.886 1.00 0.00 H new ATOM 1458 N ASN A 91 4.367 -4.354 9.587 1.00 0.00 N ATOM 1459 CA ASN A 91 3.176 -3.578 9.914 1.00 0.00 C ATOM 1460 C ASN A 91 1.931 -4.039 9.149 1.00 0.00 C ATOM 1461 O ASN A 91 0.949 -3.297 9.074 1.00 0.00 O ATOM 1462 CB ASN A 91 3.486 -2.082 9.742 1.00 0.00 C ATOM 1463 CG ASN A 91 4.540 -1.609 10.744 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.515 -1.942 11.924 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.538 -0.875 10.301 1.00 0.00 N ATOM 0 H ASN A 91 4.574 -4.386 8.589 1.00 0.00 H new ATOM 0 HA ASN A 91 2.919 -3.753 10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.838 -1.897 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.572 -1.503 9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.282 -0.588 10.937 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.568 -0.593 9.321 1.00 0.00 H new ATOM 1472 N SER A 92 1.929 -5.251 8.578 1.00 0.00 N ATOM 1473 CA SER A 92 0.858 -5.798 7.735 1.00 0.00 C ATOM 1474 C SER A 92 -0.516 -5.854 8.429 1.00 0.00 C ATOM 1475 O SER A 92 -1.546 -6.009 7.766 1.00 0.00 O ATOM 1476 CB SER A 92 1.249 -7.189 7.210 1.00 0.00 C ATOM 1477 OG SER A 92 1.170 -8.194 8.206 1.00 0.00 O ATOM 0 H SER A 92 2.705 -5.903 8.696 1.00 0.00 H new ATOM 0 HA SER A 92 0.746 -5.104 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.596 -7.455 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.265 -7.152 6.818 1.00 0.00 H new ATOM 0 HG SER A 92 1.569 -9.023 7.867 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.550 -5.730 9.760 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.769 -5.693 10.549 1.00 0.00 C ATOM 1485 C VAL A 93 -2.749 -4.641 10.033 1.00 0.00 C ATOM 1486 O VAL A 93 -3.950 -4.903 10.040 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.451 -5.521 12.045 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -0.442 -4.413 12.357 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.717 -5.327 12.882 1.00 0.00 C ATOM 0 H VAL A 93 0.295 -5.651 10.325 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.270 -6.654 10.436 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.974 -6.460 12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.278 -4.363 13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.502 -4.629 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.830 -3.458 12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.445 -5.210 13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.245 -4.436 12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.364 -6.197 12.770 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.269 -3.479 9.580 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.164 -2.398 9.187 1.00 0.00 C ATOM 1501 C ALA A 94 -4.106 -2.855 8.065 1.00 0.00 C ATOM 1502 O ALA A 94 -5.311 -2.591 8.093 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.377 -1.157 8.746 1.00 0.00 C ATOM 0 H ALA A 94 -1.276 -3.268 9.479 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.761 -2.130 10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.072 -0.368 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.754 -0.809 9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.745 -1.411 7.895 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.547 -3.560 7.086 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.250 -4.180 5.977 1.00 0.00 C ATOM 1511 C VAL A 95 -5.123 -5.332 6.495 1.00 0.00 C ATOM 1512 O VAL A 95 -6.304 -5.420 6.163 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.180 -4.645 4.975 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.763 -5.535 3.874 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.454 -3.439 4.354 1.00 0.00 C ATOM 0 H VAL A 95 -2.540 -3.720 7.046 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.928 -3.487 5.479 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.462 -5.245 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.969 -5.837 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.213 -6.421 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.523 -4.981 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.702 -3.791 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.175 -2.810 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.971 -2.860 5.141 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.552 -6.231 7.302 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.230 -7.406 7.853 1.00 0.00 C ATOM 1527 C ARG A 96 -6.496 -7.020 8.604 1.00 0.00 C ATOM 1528 O ARG A 96 -7.508 -7.714 8.474 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.242 -8.150 8.763 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.207 -8.942 7.969 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.024 -9.434 8.802 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.442 -10.403 9.816 1.00 0.00 N ATOM 1533 CZ ARG A 96 -1.646 -10.975 10.715 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -0.347 -10.695 10.747 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -2.174 -11.850 11.557 1.00 0.00 N ATOM 0 H ARG A 96 -3.578 -6.159 7.598 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.544 -8.061 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.732 -7.432 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.792 -8.828 9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.697 -9.801 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.832 -8.318 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.282 -9.890 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.542 -8.585 9.287 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.428 -10.662 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.049 -10.035 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.254 -11.140 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.169 -12.071 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.586 -12.303 12.256 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.474 -5.910 9.340 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.598 -5.380 10.105 1.00 0.00 C ATOM 1551 C ASN A 97 -8.789 -4.987 9.219 1.00 0.00 C ATOM 1552 O ASN A 97 -9.883 -4.779 9.732 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.116 -4.167 10.922 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.195 -3.657 11.873 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -8.843 -2.634 11.635 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.407 -4.346 12.978 1.00 0.00 N ATOM 0 H ASN A 97 -5.637 -5.333 9.422 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.955 -6.169 10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.230 -4.443 11.493 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.822 -3.366 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.112 -4.035 13.646 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.866 -5.190 13.164 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.614 -4.878 7.898 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.633 -4.427 6.948 1.00 0.00 C ATOM 1565 C LEU A 98 -10.236 -5.558 6.131 1.00 0.00 C ATOM 1566 O LEU A 98 -11.146 -5.287 5.345 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.009 -3.401 5.997 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.618 -2.075 6.663 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.634 -1.374 5.732 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.838 -1.185 6.936 1.00 0.00 C ATOM 0 H LEU A 98 -7.729 -5.109 7.447 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.443 -3.989 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.122 -3.840 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.714 -3.195 5.191 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.164 -2.272 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.331 -0.424 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.756 -2.004 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.111 -1.192 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.514 -0.258 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.340 -0.957 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.528 -1.707 7.599 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.812 -6.804 6.355 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.383 -7.988 5.711 1.00 0.00 C ATOM 1584 C PHE A 99 -11.913 -8.020 5.817 1.00 0.00 C ATOM 1585 O PHE A 99 -12.574 -8.560 4.932 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.775 -9.257 6.334 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.445 -9.726 5.769 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.460 -8.816 5.341 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.182 -11.108 5.698 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.237 -9.287 4.842 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -6.961 -11.578 5.191 1.00 0.00 C ATOM 1592 CZ PHE A 99 -5.986 -10.667 4.762 1.00 0.00 C ATOM 0 H PHE A 99 -9.051 -7.021 6.999 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.137 -7.945 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.648 -9.084 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.495 -10.068 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.646 -7.754 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.927 -11.812 6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.484 -8.585 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.773 -12.640 5.131 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.045 -11.025 4.371 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.503 -7.405 6.849 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.947 -7.373 7.058 1.00 0.00 C ATOM 1604 C HIS A 100 -14.469 -5.942 7.257 1.00 0.00 C ATOM 1605 O HIS A 100 -15.424 -5.711 8.005 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.339 -8.354 8.180 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.549 -9.648 8.199 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.834 -10.793 7.488 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.399 -9.884 8.911 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -12.882 -11.696 7.771 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -11.985 -11.195 8.642 1.00 0.00 N ATOM 0 H HIS A 100 -11.979 -6.910 7.570 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.447 -7.719 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.213 -7.854 9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.398 -8.593 8.081 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.901 -9.182 9.564 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.841 -12.692 7.355 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.170 -11.673 9.027 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.834 -4.963 6.603 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.250 -3.568 6.662 1.00 0.00 C ATOM 1621 C TYR A 101 -15.639 -3.384 6.036 1.00 0.00 C ATOM 1622 O TYR A 101 -16.044 -4.155 5.161 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.204 -2.695 5.969 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.590 -1.234 5.933 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.677 -0.490 7.125 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -13.970 -0.646 4.717 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.115 0.844 7.086 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.332 0.704 4.665 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.400 1.464 5.849 1.00 0.00 C ATOM 1630 OH TYR A 101 -14.660 2.796 5.770 1.00 0.00 O ATOM 0 H TYR A 101 -13.014 -5.123 6.017 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.325 -3.260 7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.250 -2.801 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.057 -3.052 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.408 -0.944 8.067 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.983 -1.240 3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.234 1.398 8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.560 1.165 3.715 1.00 0.00 H new ATOM 0 HH TYR A 101 -14.832 3.041 4.837 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.388 -2.376 6.511 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.839 -2.336 6.312 1.00 0.00 C ATOM 1642 C LYS A 102 -18.512 -0.969 6.248 1.00 0.00 C ATOM 1643 O LYS A 102 -19.626 -0.861 5.748 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.463 -3.160 7.429 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.383 -2.657 8.879 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.479 -1.648 9.232 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.648 -1.486 10.739 1.00 0.00 C ATOM 1648 NZ LYS A 102 -20.723 -0.519 11.016 1.00 0.00 N ATOM 0 H LYS A 102 -16.012 -1.584 7.032 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.007 -2.732 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.518 -3.291 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.004 -4.148 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.451 -3.509 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.409 -2.197 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.237 -0.682 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.423 -1.972 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.885 -2.448 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.714 -1.144 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.836 -0.411 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.480 0.401 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.614 -0.863 10.604 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.825 0.029 6.784 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.201 1.439 6.914 1.00 0.00 C ATOM 1664 C GLY A 103 -19.712 1.694 7.009 1.00 0.00 C ATOM 1665 O GLY A 103 -20.347 1.308 7.995 1.00 0.00 O ATOM 0 H GLY A 103 -16.900 -0.139 7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.721 1.849 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.807 1.986 6.058 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.281 2.389 6.024 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.708 2.682 5.889 1.00 0.00 C ATOM 1671 C HIS A 104 -22.115 2.425 4.431 1.00 0.00 C ATOM 1672 O HIS A 104 -21.252 2.512 3.554 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.997 4.149 6.280 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.929 4.453 7.761 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.974 4.886 8.548 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.828 4.363 8.571 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.516 5.028 9.801 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.219 4.686 9.877 1.00 0.00 N ATOM 0 H HIS A 104 -19.731 2.783 5.260 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.285 2.041 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.286 4.792 5.762 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.990 4.415 5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.831 4.090 8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.110 5.371 10.636 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.637 4.666 10.715 1.00 0.00 H new ATOM 1686 N PRO A 105 -23.396 2.126 4.147 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.901 1.894 2.801 1.00 0.00 C ATOM 1688 C PRO A 105 -23.995 3.194 1.999 1.00 0.00 C ATOM 1689 O PRO A 105 -23.551 4.267 2.427 1.00 0.00 O ATOM 1690 CB PRO A 105 -25.273 1.243 2.974 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.751 1.827 4.301 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.470 1.997 5.112 1.00 0.00 C ATOM 0 HA PRO A 105 -23.226 1.252 2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.947 1.493 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.205 0.156 3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -26.262 2.779 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.454 1.160 4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.528 2.878 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.306 1.140 5.765 1.00 0.00 H new ATOM 1700 N ASP A 106 -24.537 3.085 0.786 1.00 0.00 N ATOM 1701 CA ASP A 106 -24.304 4.064 -0.257 1.00 0.00 C ATOM 1702 C ASP A 106 -25.527 4.276 -1.145 1.00 0.00 C ATOM 1703 O ASP A 106 -26.309 3.341 -1.304 1.00 0.00 O ATOM 1704 CB ASP A 106 -23.116 3.590 -1.094 1.00 0.00 C ATOM 1705 CG ASP A 106 -21.841 4.205 -0.545 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -21.570 5.381 -0.852 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.182 3.559 0.296 1.00 0.00 O ATOM 0 H ASP A 106 -25.146 2.316 0.507 1.00 0.00 H new ATOM 0 HA ASP A 106 -24.094 5.027 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.049 2.502 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.253 3.877 -2.137 1.00 0.00 H new ATOM 1712 N PRO A 107 -25.666 5.465 -1.761 1.00 0.00 N ATOM 1713 CA PRO A 107 -26.860 5.873 -2.506 1.00 0.00 C ATOM 1714 C PRO A 107 -26.977 5.256 -3.902 1.00 0.00 C ATOM 1715 O PRO A 107 -28.058 5.286 -4.493 1.00 0.00 O ATOM 1716 CB PRO A 107 -26.744 7.397 -2.636 1.00 0.00 C ATOM 1717 CG PRO A 107 -25.241 7.668 -2.541 1.00 0.00 C ATOM 1718 CD PRO A 107 -24.751 6.586 -1.599 1.00 0.00 C ATOM 0 HA PRO A 107 -27.748 5.533 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -27.153 7.748 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -27.292 7.907 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -24.758 7.602 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -25.036 8.665 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -23.729 6.293 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -24.747 6.940 -0.568 1.00 0.00 H new ATOM 1726 N LEU A 108 -25.870 4.769 -4.460 1.00 0.00 N ATOM 1727 CA LEU A 108 -25.778 4.169 -5.783 1.00 0.00 C ATOM 1728 C LEU A 108 -24.755 3.039 -5.851 1.00 0.00 C ATOM 1729 O LEU A 108 -24.822 2.208 -6.760 1.00 0.00 O ATOM 1730 CB LEU A 108 -25.383 5.213 -6.836 1.00 0.00 C ATOM 1731 CG LEU A 108 -24.300 6.240 -6.449 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -23.242 6.360 -7.549 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -24.949 7.606 -6.223 1.00 0.00 C ATOM 0 H LEU A 108 -24.972 4.784 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 108 -26.770 3.765 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -25.041 4.682 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -26.281 5.762 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 108 -23.815 5.900 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -22.489 7.090 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.766 5.391 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -23.716 6.684 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -24.183 8.332 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -25.445 7.929 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -25.682 7.532 -5.420 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.775 3.039 -4.947 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.662 2.101 -4.982 1.00 0.00 C ATOM 1747 C LYS A 109 -22.979 0.808 -4.239 1.00 0.00 C ATOM 1748 O LYS A 109 -22.125 -0.068 -4.214 1.00 0.00 O ATOM 1749 CB LYS A 109 -21.401 2.759 -4.406 1.00 0.00 C ATOM 1750 CG LYS A 109 -20.937 3.979 -5.215 1.00 0.00 C ATOM 1751 CD LYS A 109 -20.363 3.612 -6.594 1.00 0.00 C ATOM 1752 CE LYS A 109 -19.192 4.521 -6.979 1.00 0.00 C ATOM 1753 NZ LYS A 109 -19.529 5.962 -7.005 1.00 0.00 N ATOM 0 H LYS A 109 -23.734 3.695 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.485 1.837 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.595 3.064 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -20.597 2.024 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -21.778 4.659 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -20.179 4.517 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.031 2.574 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -21.147 3.690 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.376 4.362 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.826 4.227 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.697 6.508 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -20.310 6.124 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -19.818 6.268 -6.054 1.00 0.00 H new ATOM 1767 N GLY A 110 -24.141 0.703 -3.587 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.608 -0.465 -2.849 1.00 0.00 C ATOM 1769 C GLY A 110 -23.493 -1.173 -2.083 1.00 0.00 C ATOM 1770 O GLY A 110 -23.151 -2.316 -2.390 1.00 0.00 O ATOM 0 H GLY A 110 -24.812 1.471 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.384 -0.158 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.066 -1.168 -3.545 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.924 -0.474 -1.093 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.848 -0.915 -0.190 1.00 0.00 C ATOM 1776 C ASP A 111 -20.533 -1.364 -0.855 1.00 0.00 C ATOM 1777 O ASP A 111 -19.581 -1.733 -0.160 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.374 -1.874 0.899 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.652 -3.317 0.489 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -21.706 -4.138 0.415 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -23.850 -3.639 0.335 1.00 0.00 O ATOM 0 H ASP A 111 -23.222 0.479 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.524 -0.004 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.650 -1.889 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.296 -1.454 1.301 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.426 -1.267 -2.183 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.303 -1.780 -2.950 1.00 0.00 C ATOM 1788 C ALA A 112 -17.988 -1.050 -2.667 1.00 0.00 C ATOM 1789 O ALA A 112 -16.935 -1.679 -2.676 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.620 -1.699 -4.439 1.00 0.00 C ATOM 0 H ALA A 112 -21.137 -0.819 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.161 -2.815 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.777 -2.084 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.507 -2.294 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.803 -0.661 -4.716 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.024 0.263 -2.414 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.822 1.060 -2.133 1.00 0.00 C ATOM 1798 C LEU A 113 -16.113 0.498 -0.900 1.00 0.00 C ATOM 1799 O LEU A 113 -14.888 0.421 -0.857 1.00 0.00 O ATOM 1800 CB LEU A 113 -17.188 2.548 -1.912 1.00 0.00 C ATOM 1801 CG LEU A 113 -16.355 3.575 -2.692 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -16.605 3.455 -4.201 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.789 4.968 -2.225 1.00 0.00 C ATOM 0 H LEU A 113 -18.888 0.805 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.153 1.002 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.236 2.686 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.096 2.769 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.295 3.401 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -16.003 4.194 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.330 2.455 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.660 3.631 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.216 5.726 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.851 5.105 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.609 5.065 -1.154 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.882 0.119 0.126 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.334 -0.466 1.347 1.00 0.00 C ATOM 1817 C ASN A 114 -16.075 -1.956 1.152 1.00 0.00 C ATOM 1818 O ASN A 114 -15.174 -2.493 1.793 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.287 -0.284 2.545 1.00 0.00 C ATOM 1820 CG ASN A 114 -17.601 1.175 2.854 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -18.493 1.785 2.104 1.00 0.00 O flip ATOM 1822 ND2 ASN A 114 -17.021 1.789 3.742 1.00 0.00 N flip ATOM 0 H ASN A 114 -17.898 0.210 0.131 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.400 0.054 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -18.218 -0.813 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.843 -0.747 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -16.330 1.314 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -17.230 2.775 3.901 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.817 -2.627 0.266 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.552 -4.014 -0.088 1.00 0.00 C ATOM 1831 C LYS A 115 -15.166 -4.134 -0.713 1.00 0.00 C ATOM 1832 O LYS A 115 -14.422 -5.024 -0.315 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.662 -4.547 -1.010 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.520 -6.045 -1.308 1.00 0.00 C ATOM 1835 CD LYS A 115 -16.807 -6.328 -2.627 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.716 -6.119 -3.841 1.00 0.00 C ATOM 1837 NZ LYS A 115 -18.505 -7.323 -4.172 1.00 0.00 N ATOM 0 H LYS A 115 -17.615 -2.220 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.558 -4.632 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.632 -4.364 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.647 -3.992 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.970 -6.520 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.510 -6.500 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.936 -5.678 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.439 -7.354 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.393 -5.288 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.108 -5.839 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.103 -7.129 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.862 -8.112 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.106 -7.577 -3.363 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.802 -3.231 -1.628 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.548 -3.264 -2.366 1.00 0.00 C ATOM 1853 C ALA A 116 -12.340 -3.277 -1.429 1.00 0.00 C ATOM 1854 O ALA A 116 -11.405 -4.043 -1.652 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.487 -2.076 -3.330 1.00 0.00 C ATOM 0 H ALA A 116 -15.392 -2.437 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.511 -4.190 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.547 -2.103 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.320 -2.133 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.550 -1.146 -2.765 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.381 -2.473 -0.359 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.402 -2.485 0.731 1.00 0.00 C ATOM 1863 C VAL A 117 -11.158 -3.929 1.197 1.00 0.00 C ATOM 1864 O VAL A 117 -10.014 -4.338 1.381 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.897 -1.600 1.885 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.941 -1.621 3.081 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.088 -0.148 1.434 1.00 0.00 C ATOM 0 H VAL A 117 -13.116 -1.779 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.454 -2.080 0.377 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.856 -2.017 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.333 -0.981 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.847 -2.641 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.962 -1.256 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.439 0.451 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.138 0.250 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.823 -0.110 0.630 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.233 -4.679 1.445 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.179 -6.015 2.014 1.00 0.00 C ATOM 1879 C ARG A 118 -11.476 -6.967 1.044 1.00 0.00 C ATOM 1880 O ARG A 118 -10.528 -7.629 1.453 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.600 -6.415 2.482 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.303 -7.569 1.749 1.00 0.00 C ATOM 1883 CD ARG A 118 -15.800 -7.549 2.065 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.505 -8.640 1.388 1.00 0.00 N ATOM 1885 CZ ARG A 118 -17.760 -8.593 0.935 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -18.576 -7.604 1.294 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -18.160 -9.513 0.073 1.00 0.00 N ATOM 0 H ARG A 118 -13.183 -4.362 1.250 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.564 -6.063 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.542 -6.676 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.237 -5.534 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.148 -7.477 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -13.871 -8.522 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -15.947 -7.632 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.225 -6.593 1.758 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.993 -9.511 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -18.244 -6.872 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -19.533 -7.579 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.514 -10.240 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -19.115 -9.495 -0.285 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.895 -7.020 -0.226 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.367 -8.001 -1.177 1.00 0.00 C ATOM 1903 C GLU A 119 -9.883 -7.731 -1.408 1.00 0.00 C ATOM 1904 O GLU A 119 -9.046 -8.635 -1.361 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.044 -7.939 -2.563 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.540 -7.620 -2.642 1.00 0.00 C ATOM 1907 CD GLU A 119 -13.906 -7.264 -4.089 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.907 -8.165 -4.957 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -14.086 -6.057 -4.380 1.00 0.00 O ATOM 0 H GLU A 119 -12.599 -6.394 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.558 -8.979 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.516 -7.191 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.886 -8.901 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.125 -8.477 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.782 -6.790 -1.979 1.00 0.00 H new ATOM 1916 N THR A 120 -9.574 -6.467 -1.705 1.00 0.00 N ATOM 1917 CA THR A 120 -8.258 -6.050 -2.125 1.00 0.00 C ATOM 1918 C THR A 120 -7.268 -6.230 -0.960 1.00 0.00 C ATOM 1919 O THR A 120 -6.097 -6.490 -1.227 1.00 0.00 O ATOM 1920 CB THR A 120 -8.392 -4.630 -2.717 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.315 -4.652 -3.801 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.105 -4.043 -3.292 1.00 0.00 C ATOM 0 H THR A 120 -10.248 -5.703 -1.656 1.00 0.00 H new ATOM 0 HA THR A 120 -7.833 -6.664 -2.919 1.00 0.00 H new ATOM 0 HB THR A 120 -8.706 -4.015 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.218 -4.475 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.303 -3.045 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.350 -3.983 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.741 -4.682 -4.097 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.714 -6.193 0.307 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.850 -6.430 1.457 1.00 0.00 C ATOM 1932 C ALA A 121 -6.361 -7.876 1.536 1.00 0.00 C ATOM 1933 O ALA A 121 -5.186 -8.084 1.839 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.562 -6.049 2.761 1.00 0.00 C ATOM 0 H ALA A 121 -8.684 -5.997 0.554 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.975 -5.794 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.898 -6.234 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.829 -4.993 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.465 -6.649 2.871 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.227 -8.863 1.275 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.831 -10.276 1.244 1.00 0.00 C ATOM 1942 C HIS A 122 -5.715 -10.467 0.213 1.00 0.00 C ATOM 1943 O HIS A 122 -4.671 -11.072 0.471 1.00 0.00 O ATOM 1944 CB HIS A 122 -8.033 -11.164 0.880 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.966 -11.495 2.016 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.226 -12.762 2.479 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.763 -10.632 2.717 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.148 -12.669 3.442 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.522 -11.389 3.616 1.00 0.00 N ATOM 0 H HIS A 122 -8.216 -8.706 1.081 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.473 -10.566 2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.605 -10.667 0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.658 -12.096 0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.800 -9.559 2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.538 -13.506 4.003 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.220 -11.040 4.273 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.935 -9.882 -0.961 1.00 0.00 N ATOM 1958 CA GLU A 123 -5.013 -9.873 -2.078 1.00 0.00 C ATOM 1959 C GLU A 123 -3.669 -9.240 -1.686 1.00 0.00 C ATOM 1960 O GLU A 123 -2.617 -9.749 -2.075 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.693 -9.098 -3.214 1.00 0.00 C ATOM 1962 CG GLU A 123 -5.953 -9.963 -4.443 1.00 0.00 C ATOM 1963 CD GLU A 123 -4.655 -10.263 -5.174 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.039 -9.293 -5.668 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -4.235 -11.440 -5.211 1.00 0.00 O ATOM 0 H GLU A 123 -6.800 -9.381 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.784 -10.890 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.638 -8.690 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.067 -8.251 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.431 -10.896 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.644 -9.452 -5.114 1.00 0.00 H new ATOM 1972 N THR A 124 -3.684 -8.154 -0.908 1.00 0.00 N ATOM 1973 CA THR A 124 -2.475 -7.474 -0.467 1.00 0.00 C ATOM 1974 C THR A 124 -1.596 -8.395 0.383 1.00 0.00 C ATOM 1975 O THR A 124 -0.401 -8.485 0.107 1.00 0.00 O ATOM 1976 CB THR A 124 -2.838 -6.174 0.269 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.514 -5.286 -0.597 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.602 -5.447 0.792 1.00 0.00 C ATOM 0 H THR A 124 -4.544 -7.724 -0.567 1.00 0.00 H new ATOM 0 HA THR A 124 -1.885 -7.206 -1.343 1.00 0.00 H new ATOM 0 HB THR A 124 -3.472 -6.464 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.874 -4.648 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.906 -4.535 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.067 -6.093 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.949 -5.193 -0.043 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.133 -9.047 1.421 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.310 -9.847 2.340 1.00 0.00 C ATOM 1988 C ILE A 125 -0.615 -10.975 1.588 1.00 0.00 C ATOM 1989 O ILE A 125 0.553 -11.269 1.844 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.159 -10.366 3.520 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.787 -9.199 4.304 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.351 -11.241 4.493 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.785 -8.149 4.781 1.00 0.00 C ATOM 0 H ILE A 125 -3.128 -9.038 1.646 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.531 -9.212 2.762 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.942 -10.982 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.532 -8.713 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.314 -9.600 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.998 -11.578 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.955 -12.106 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.526 -10.660 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.311 -7.364 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.053 -8.617 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.275 -7.716 3.921 1.00 0.00 H new ATOM 2005 N SER A 126 -1.309 -11.542 0.609 1.00 0.00 N ATOM 2006 CA SER A 126 -0.787 -12.583 -0.250 1.00 0.00 C ATOM 2007 C SER A 126 0.498 -12.136 -0.971 1.00 0.00 C ATOM 2008 O SER A 126 1.384 -12.960 -1.183 1.00 0.00 O ATOM 2009 CB SER A 126 -1.911 -12.987 -1.204 1.00 0.00 C ATOM 2010 OG SER A 126 -3.101 -13.257 -0.460 1.00 0.00 O ATOM 0 H SER A 126 -2.271 -11.281 0.390 1.00 0.00 H new ATOM 0 HA SER A 126 -0.482 -13.453 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.094 -12.189 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.618 -13.869 -1.773 1.00 0.00 H new ATOM 0 HG SER A 126 -3.611 -12.428 -0.347 1.00 0.00 H new ATOM 2016 N ALA A 127 0.636 -10.845 -1.302 1.00 0.00 N ATOM 2017 CA ALA A 127 1.862 -10.265 -1.840 1.00 0.00 C ATOM 2018 C ALA A 127 2.874 -9.960 -0.737 1.00 0.00 C ATOM 2019 O ALA A 127 4.051 -10.252 -0.934 1.00 0.00 O ATOM 2020 CB ALA A 127 1.533 -8.974 -2.578 1.00 0.00 C ATOM 0 H ALA A 127 -0.119 -10.167 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 127 2.304 -10.994 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.449 -8.541 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.844 -9.187 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.070 -8.268 -1.888 1.00 0.00 H new ATOM 2026 N ILE A 128 2.454 -9.372 0.399 1.00 0.00 N ATOM 2027 CA ILE A 128 3.352 -9.030 1.517 1.00 0.00 C ATOM 2028 C ILE A 128 4.209 -10.259 1.865 1.00 0.00 C ATOM 2029 O ILE A 128 5.420 -10.132 2.041 1.00 0.00 O ATOM 2030 CB ILE A 128 2.592 -8.483 2.755 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.843 -7.165 2.441 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.598 -8.263 3.901 1.00 0.00 C ATOM 2033 CD1 ILE A 128 1.158 -6.535 3.668 1.00 0.00 C ATOM 0 H ILE A 128 1.480 -9.120 0.567 1.00 0.00 H new ATOM 0 HA ILE A 128 4.002 -8.215 1.198 1.00 0.00 H new ATOM 0 HB ILE A 128 1.840 -9.216 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.548 -6.448 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.091 -7.358 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.074 -7.879 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.077 -9.210 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.356 -7.545 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.654 -5.615 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.428 -7.234 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.907 -6.309 4.427 1.00 0.00 H new ATOM 2045 N PHE A 129 3.596 -11.444 1.937 1.00 0.00 N ATOM 2046 CA PHE A 129 4.254 -12.689 2.316 1.00 0.00 C ATOM 2047 C PHE A 129 4.489 -13.598 1.099 1.00 0.00 C ATOM 2048 O PHE A 129 4.670 -14.804 1.279 1.00 0.00 O ATOM 2049 CB PHE A 129 3.442 -13.361 3.435 1.00 0.00 C ATOM 2050 CG PHE A 129 3.343 -12.528 4.704 1.00 0.00 C ATOM 2051 CD1 PHE A 129 2.286 -11.615 4.871 1.00 0.00 C ATOM 2052 CD2 PHE A 129 4.304 -12.665 5.725 1.00 0.00 C ATOM 2053 CE1 PHE A 129 2.190 -10.841 6.039 1.00 0.00 C ATOM 2054 CE2 PHE A 129 4.206 -11.892 6.898 1.00 0.00 C ATOM 2055 CZ PHE A 129 3.149 -10.977 7.053 1.00 0.00 C ATOM 0 H PHE A 129 2.605 -11.563 1.728 1.00 0.00 H new ATOM 0 HA PHE A 129 5.250 -12.478 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.437 -13.568 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.898 -14.321 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 129 1.542 -11.508 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 129 5.118 -13.365 5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 129 1.377 -10.140 6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.943 -12.002 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.076 -10.381 7.951 1.00 0.00 H new ATOM 2065 N SER A 130 4.507 -13.049 -0.124 1.00 0.00 N ATOM 2066 CA SER A 130 4.949 -13.742 -1.331 1.00 0.00 C ATOM 2067 C SER A 130 6.467 -13.934 -1.241 1.00 0.00 C ATOM 2068 O SER A 130 7.236 -13.214 -1.882 1.00 0.00 O ATOM 2069 CB SER A 130 4.537 -12.947 -2.576 1.00 0.00 C ATOM 2070 OG SER A 130 4.778 -13.677 -3.765 1.00 0.00 O ATOM 0 H SER A 130 4.207 -12.090 -0.300 1.00 0.00 H new ATOM 0 HA SER A 130 4.476 -14.721 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.479 -12.693 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.089 -12.007 -2.607 1.00 0.00 H new ATOM 0 HG SER A 130 4.503 -13.142 -4.539 1.00 0.00 H new