USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 15 TYR OH : rot 151:sc= 1.08 USER MOD Set 1.2: A 45 SER OG : rot 93:sc= 2.32 USER MOD Set 1.3: A 49 LYS NZ :NH3+ -121:sc= 1.22 (180deg=-0.166) USER MOD Set 1.4: B 44 MET CE :methyl 160:sc= -0.246 (180deg=-0.4) USER MOD Set 2.1: A 22 CYS SG : rot -91:sc= -0.826 USER MOD Set 2.2: A 44 CYS SG : rot 92:sc= -0.375 USER MOD Set 3.1: A 12 MET CE :methyl -163:sc= -0.546 (180deg=-1.43) USER MOD Set 3.2: A 20 GLN : amide:sc= -2.49! C(o=-3!,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0385) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.024) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.575 (180deg=0.562) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.17) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00457 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -86:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 2.41 (180deg=2.26) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.769 (180deg=-2.13!) USER MOD Single : A 50 THR OG1 : rot -77:sc= 1.27 USER MOD Single : A 51 MET CE :methyl 168:sc= -0.572 (180deg=-0.82) USER MOD Single : A 52 SER OG : rot 139:sc= 1.34 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -177:sc= -0.728 (180deg=-0.788) USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= -1.37 (180deg=-3.78!) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.052 (180deg=-0.395) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.0272 K(o=-0.027,f=-0.58) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0.158 K(o=0.16,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 11.856 8.765 1.021 1.00 0.00 N ATOM 110 CA PRO A 8 11.237 8.015 2.119 1.00 0.00 C ATOM 111 C PRO A 8 10.437 6.826 1.600 1.00 0.00 C ATOM 112 O PRO A 8 10.091 6.767 0.415 1.00 0.00 O ATOM 113 CB PRO A 8 10.318 9.043 2.798 1.00 0.00 C ATOM 114 CG PRO A 8 10.199 10.173 1.828 1.00 0.00 C ATOM 115 CD PRO A 8 11.474 10.180 1.041 1.00 0.00 C ATOM 0 HA PRO A 8 11.975 7.593 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.342 8.611 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.739 9.381 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.338 10.036 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.057 11.120 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.325 10.572 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.237 10.798 1.514 1.00 0.00 H new ATOM 123 N ARG A 9 10.133 5.880 2.470 1.00 0.00 N ATOM 124 CA ARG A 9 9.525 4.640 2.027 1.00 0.00 C ATOM 125 C ARG A 9 8.017 4.804 1.870 1.00 0.00 C ATOM 126 O ARG A 9 7.341 3.941 1.306 1.00 0.00 O ATOM 127 CB ARG A 9 9.870 3.497 2.984 1.00 0.00 C ATOM 128 CG ARG A 9 9.575 2.127 2.405 1.00 0.00 C ATOM 129 CD ARG A 9 10.155 1.974 1.007 1.00 0.00 C ATOM 130 NE ARG A 9 11.618 1.979 1.010 1.00 0.00 N ATOM 131 CZ ARG A 9 12.374 2.948 0.486 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.814 4.017 -0.071 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 13.695 2.858 0.535 1.00 0.00 N ATOM 0 H ARG A 9 10.295 5.945 3.475 1.00 0.00 H new ATOM 0 HA ARG A 9 9.932 4.385 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.927 3.555 3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.307 3.623 3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.989 1.359 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.497 1.970 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.798 1.043 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.792 2.784 0.375 1.00 0.00 H new ATOM 0 HE ARG A 9 12.094 1.187 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.798 4.103 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.400 4.751 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.135 2.049 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.272 3.598 0.135 1.00 0.00 H new ATOM 147 N GLY A 10 7.499 5.912 2.365 1.00 0.00 N ATOM 148 CA GLY A 10 6.113 6.243 2.144 1.00 0.00 C ATOM 149 C GLY A 10 5.262 5.915 3.344 1.00 0.00 C ATOM 150 O GLY A 10 4.985 4.747 3.606 1.00 0.00 O ATOM 0 H GLY A 10 8.018 6.592 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.025 7.305 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.743 5.698 1.276 1.00 0.00 H new ATOM 154 N LYS A 11 4.855 6.957 4.067 1.00 0.00 N ATOM 155 CA LYS A 11 4.030 6.809 5.265 1.00 0.00 C ATOM 156 C LYS A 11 2.806 5.934 4.999 1.00 0.00 C ATOM 157 O LYS A 11 2.511 5.037 5.783 1.00 0.00 O ATOM 158 CB LYS A 11 3.602 8.185 5.789 1.00 0.00 C ATOM 159 CG LYS A 11 2.995 9.092 4.730 1.00 0.00 C ATOM 160 CD LYS A 11 2.634 10.451 5.305 1.00 0.00 C ATOM 161 CE LYS A 11 2.108 11.394 4.236 1.00 0.00 C ATOM 162 NZ LYS A 11 0.820 10.928 3.656 1.00 0.00 N1+ ATOM 0 H LYS A 11 5.087 7.924 3.840 1.00 0.00 H new ATOM 0 HA LYS A 11 4.632 6.312 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.878 8.047 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.469 8.682 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.701 9.218 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.103 8.623 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.881 10.328 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.512 10.891 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.973 12.387 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.848 11.488 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.441 11.658 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.978 10.050 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.139 10.749 4.422 1.00 0.00 H new ATOM 176 N MET A 12 2.138 6.194 3.865 1.00 0.00 N ATOM 177 CA MET A 12 0.971 5.423 3.401 1.00 0.00 C ATOM 178 C MET A 12 0.069 4.931 4.548 1.00 0.00 C ATOM 179 O MET A 12 -0.032 5.570 5.599 1.00 0.00 O ATOM 180 CB MET A 12 1.453 4.232 2.561 1.00 0.00 C ATOM 181 CG MET A 12 2.313 4.633 1.374 1.00 0.00 C ATOM 182 SD MET A 12 2.835 3.215 0.389 1.00 0.00 S ATOM 183 CE MET A 12 3.664 2.235 1.638 1.00 0.00 C ATOM 0 H MET A 12 2.395 6.954 3.236 1.00 0.00 H new ATOM 0 HA MET A 12 0.360 6.095 2.799 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.021 3.555 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.586 3.678 2.200 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.755 5.324 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.193 5.167 1.731 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.296 1.489 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.280 2.884 2.260 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.922 1.734 2.259 1.00 0.00 H new ATOM 193 N SER A 13 -0.654 3.848 4.301 1.00 0.00 N ATOM 194 CA SER A 13 -1.450 3.205 5.329 1.00 0.00 C ATOM 195 C SER A 13 -0.664 2.048 5.947 1.00 0.00 C ATOM 196 O SER A 13 0.278 1.536 5.336 1.00 0.00 O ATOM 197 CB SER A 13 -2.752 2.682 4.718 1.00 0.00 C ATOM 198 OG SER A 13 -3.398 3.680 3.942 1.00 0.00 O ATOM 0 H SER A 13 -0.704 3.395 3.388 1.00 0.00 H new ATOM 0 HA SER A 13 -1.685 3.930 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.540 1.814 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.420 2.348 5.512 1.00 0.00 H new ATOM 0 HG SER A 13 -4.225 3.316 3.564 1.00 0.00 H new ATOM 204 N SER A 14 -1.066 1.629 7.143 1.00 0.00 N ATOM 205 CA SER A 14 -0.426 0.509 7.832 1.00 0.00 C ATOM 206 C SER A 14 -0.557 -0.771 7.010 1.00 0.00 C ATOM 207 O SER A 14 0.324 -1.630 7.019 1.00 0.00 O ATOM 208 CB SER A 14 -1.069 0.321 9.209 1.00 0.00 C ATOM 209 OG SER A 14 -2.485 0.309 9.105 1.00 0.00 O ATOM 0 H SER A 14 -1.838 2.051 7.660 1.00 0.00 H new ATOM 0 HA SER A 14 0.634 0.729 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.724 -0.613 9.652 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.755 1.125 9.875 1.00 0.00 H new ATOM 0 HG SER A 14 -2.877 0.186 9.995 1.00 0.00 H new ATOM 215 N TYR A 15 -1.673 -0.873 6.303 1.00 0.00 N ATOM 216 CA TYR A 15 -1.947 -1.989 5.413 1.00 0.00 C ATOM 217 C TYR A 15 -0.836 -2.109 4.360 1.00 0.00 C ATOM 218 O TYR A 15 -0.224 -3.172 4.181 1.00 0.00 O ATOM 219 CB TYR A 15 -3.309 -1.739 4.752 1.00 0.00 C ATOM 220 CG TYR A 15 -3.961 -2.946 4.118 1.00 0.00 C ATOM 221 CD1 TYR A 15 -3.622 -4.237 4.500 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.930 -2.787 3.136 1.00 0.00 C ATOM 223 CE1 TYR A 15 -4.230 -5.333 3.918 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.541 -3.877 2.552 1.00 0.00 C ATOM 225 CZ TYR A 15 -5.188 -5.148 2.948 1.00 0.00 C ATOM 226 OH TYR A 15 -5.790 -6.237 2.362 1.00 0.00 O ATOM 0 H TYR A 15 -2.419 -0.178 6.332 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.974 -2.927 5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.988 -1.335 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.186 -0.972 3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.872 -4.387 5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.210 -1.792 2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.954 -6.331 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.292 -3.735 1.789 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.700 -5.999 2.087 1.00 0.00 H new ATOM 236 N ALA A 16 -0.548 -0.996 3.692 1.00 0.00 N ATOM 237 CA ALA A 16 0.494 -0.970 2.677 1.00 0.00 C ATOM 238 C ALA A 16 1.866 -1.173 3.305 1.00 0.00 C ATOM 239 O ALA A 16 2.748 -1.763 2.690 1.00 0.00 O ATOM 240 CB ALA A 16 0.456 0.335 1.896 1.00 0.00 C ATOM 0 H ALA A 16 -1.021 -0.104 3.836 1.00 0.00 H new ATOM 0 HA ALA A 16 0.308 -1.791 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.244 0.331 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.513 0.438 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.609 1.172 2.578 1.00 0.00 H new ATOM 246 N PHE A 17 2.035 -0.688 4.533 1.00 0.00 N ATOM 247 CA PHE A 17 3.293 -0.848 5.259 1.00 0.00 C ATOM 248 C PHE A 17 3.603 -2.319 5.492 1.00 0.00 C ATOM 249 O PHE A 17 4.770 -2.724 5.503 1.00 0.00 O ATOM 250 CB PHE A 17 3.241 -0.108 6.595 1.00 0.00 C ATOM 251 CG PHE A 17 4.239 1.004 6.687 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.996 2.215 6.068 1.00 0.00 C ATOM 253 CD2 PHE A 17 5.427 0.834 7.379 1.00 0.00 C ATOM 254 CE1 PHE A 17 4.914 3.240 6.140 1.00 0.00 C ATOM 255 CE2 PHE A 17 6.354 1.856 7.453 1.00 0.00 C ATOM 256 CZ PHE A 17 6.096 3.063 6.831 1.00 0.00 C ATOM 0 H PHE A 17 1.315 -0.180 5.047 1.00 0.00 H new ATOM 0 HA PHE A 17 4.088 -0.419 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.240 0.297 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.419 -0.817 7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.076 2.360 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.631 -0.108 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.709 4.183 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.277 1.712 7.995 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.817 3.865 6.885 1.00 0.00 H new ATOM 266 N PHE A 18 2.554 -3.112 5.669 1.00 0.00 N ATOM 267 CA PHE A 18 2.699 -4.553 5.808 1.00 0.00 C ATOM 268 C PHE A 18 3.405 -5.126 4.585 1.00 0.00 C ATOM 269 O PHE A 18 4.452 -5.769 4.710 1.00 0.00 O ATOM 270 CB PHE A 18 1.328 -5.207 5.995 1.00 0.00 C ATOM 271 CG PHE A 18 1.369 -6.705 6.051 1.00 0.00 C ATOM 272 CD1 PHE A 18 1.875 -7.360 7.161 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.899 -7.457 4.990 1.00 0.00 C ATOM 274 CE1 PHE A 18 1.911 -8.740 7.211 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.933 -8.833 5.034 1.00 0.00 C ATOM 276 CZ PHE A 18 1.439 -9.477 6.144 1.00 0.00 C ATOM 0 H PHE A 18 1.591 -2.779 5.720 1.00 0.00 H new ATOM 0 HA PHE A 18 3.304 -4.766 6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.880 -4.831 6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.677 -4.902 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.246 -6.786 7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.501 -6.960 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.307 -9.240 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.563 -9.409 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.466 -10.556 6.178 1.00 0.00 H new ATOM 286 N VAL A 19 2.846 -4.875 3.402 1.00 0.00 N ATOM 287 CA VAL A 19 3.485 -5.318 2.158 1.00 0.00 C ATOM 288 C VAL A 19 4.838 -4.638 1.981 1.00 0.00 C ATOM 289 O VAL A 19 5.819 -5.277 1.611 1.00 0.00 O ATOM 290 CB VAL A 19 2.620 -5.038 0.907 1.00 0.00 C ATOM 291 CG1 VAL A 19 3.395 -5.325 -0.369 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.368 -5.880 0.926 1.00 0.00 C ATOM 0 H VAL A 19 1.966 -4.375 3.276 1.00 0.00 H new ATOM 0 HA VAL A 19 3.610 -6.397 2.247 1.00 0.00 H new ATOM 0 HB VAL A 19 2.348 -3.983 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.763 -5.120 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.280 -4.690 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.699 -6.372 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.773 -5.668 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.640 -6.936 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.785 -5.646 1.817 1.00 0.00 H new ATOM 302 N GLN A 20 4.874 -3.345 2.280 1.00 0.00 N ATOM 303 CA GLN A 20 6.062 -2.513 2.101 1.00 0.00 C ATOM 304 C GLN A 20 7.327 -3.182 2.628 1.00 0.00 C ATOM 305 O GLN A 20 8.282 -3.392 1.872 1.00 0.00 O ATOM 306 CB GLN A 20 5.867 -1.177 2.813 1.00 0.00 C ATOM 307 CG GLN A 20 7.096 -0.290 2.789 1.00 0.00 C ATOM 308 CD GLN A 20 7.069 0.751 3.885 1.00 0.00 C ATOM 309 OE1 GLN A 20 7.533 0.504 4.993 1.00 0.00 O ATOM 310 NE2 GLN A 20 6.552 1.927 3.574 1.00 0.00 N ATOM 0 H GLN A 20 4.073 -2.838 2.657 1.00 0.00 H new ATOM 0 HA GLN A 20 6.189 -2.361 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.037 -0.645 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.585 -1.365 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.989 -0.906 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.166 0.206 1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.177 2.088 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.528 2.673 4.269 1.00 0.00 H new ATOM 319 N THR A 21 7.328 -3.522 3.911 1.00 0.00 N ATOM 320 CA THR A 21 8.541 -3.994 4.556 1.00 0.00 C ATOM 321 C THR A 21 8.860 -5.449 4.201 1.00 0.00 C ATOM 322 O THR A 21 10.024 -5.785 4.020 1.00 0.00 O ATOM 323 CB THR A 21 8.487 -3.813 6.092 1.00 0.00 C ATOM 324 OG1 THR A 21 9.774 -4.094 6.662 1.00 0.00 O ATOM 325 CG2 THR A 21 7.440 -4.716 6.729 1.00 0.00 C ATOM 0 H THR A 21 6.510 -3.480 4.518 1.00 0.00 H new ATOM 0 HA THR A 21 9.349 -3.373 4.169 1.00 0.00 H new ATOM 0 HB THR A 21 8.209 -2.779 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.734 -3.976 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.433 -4.560 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.458 -4.478 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.679 -5.758 6.515 1.00 0.00 H new ATOM 333 N CYS A 22 7.847 -6.306 4.067 1.00 0.00 N ATOM 334 CA CYS A 22 8.102 -7.710 3.734 1.00 0.00 C ATOM 335 C CYS A 22 8.561 -7.832 2.282 1.00 0.00 C ATOM 336 O CYS A 22 9.374 -8.694 1.938 1.00 0.00 O ATOM 337 CB CYS A 22 6.865 -8.580 3.994 1.00 0.00 C ATOM 338 SG CYS A 22 5.367 -8.046 3.141 1.00 0.00 S ATOM 0 H CYS A 22 6.863 -6.062 4.181 1.00 0.00 H new ATOM 0 HA CYS A 22 8.898 -8.075 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.090 -9.604 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.669 -8.596 5.066 1.00 0.00 H new ATOM 0 HG CYS A 22 4.701 -7.230 3.903 1.00 0.00 H new ATOM 344 N ARG A 23 8.037 -6.950 1.441 1.00 0.00 N ATOM 345 CA ARG A 23 8.480 -6.830 0.058 1.00 0.00 C ATOM 346 C ARG A 23 9.945 -6.426 -0.001 1.00 0.00 C ATOM 347 O ARG A 23 10.754 -7.033 -0.709 1.00 0.00 O ATOM 348 CB ARG A 23 7.635 -5.773 -0.655 1.00 0.00 C ATOM 349 CG ARG A 23 8.210 -5.305 -1.979 1.00 0.00 C ATOM 350 CD ARG A 23 8.007 -3.812 -2.163 1.00 0.00 C ATOM 351 NE ARG A 23 8.710 -3.027 -1.146 1.00 0.00 N ATOM 352 CZ ARG A 23 9.674 -2.149 -1.424 1.00 0.00 C ATOM 353 NH1 ARG A 23 10.134 -2.036 -2.664 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 10.197 -1.405 -0.455 1.00 0.00 N ATOM 0 H ARG A 23 7.295 -6.299 1.697 1.00 0.00 H new ATOM 0 HA ARG A 23 8.362 -7.796 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.638 -6.177 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.520 -4.912 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.274 -5.539 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.733 -5.844 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.358 -3.519 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.942 -3.584 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 23 8.447 -3.160 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.750 -2.621 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.872 -1.364 -2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.861 -1.505 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.934 -0.734 -0.669 1.00 0.00 H new ATOM 368 N GLU A 24 10.276 -5.391 0.750 1.00 0.00 N ATOM 369 CA GLU A 24 11.617 -4.849 0.751 1.00 0.00 C ATOM 370 C GLU A 24 12.582 -5.810 1.439 1.00 0.00 C ATOM 371 O GLU A 24 13.726 -5.961 1.010 1.00 0.00 O ATOM 372 CB GLU A 24 11.614 -3.476 1.420 1.00 0.00 C ATOM 373 CG GLU A 24 12.989 -2.837 1.518 1.00 0.00 C ATOM 374 CD GLU A 24 12.949 -1.452 2.120 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.325 -0.556 1.518 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.548 -1.253 3.200 1.00 0.00 O ATOM 0 H GLU A 24 9.627 -4.908 1.371 1.00 0.00 H new ATOM 0 HA GLU A 24 11.960 -4.727 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.954 -2.812 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.196 -3.572 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.638 -3.472 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.431 -2.783 0.523 1.00 0.00 H new ATOM 383 N GLU A 25 12.106 -6.469 2.494 1.00 0.00 N ATOM 384 CA GLU A 25 12.850 -7.549 3.135 1.00 0.00 C ATOM 385 C GLU A 25 13.279 -8.580 2.100 1.00 0.00 C ATOM 386 O GLU A 25 14.420 -9.047 2.099 1.00 0.00 O ATOM 387 CB GLU A 25 11.986 -8.239 4.197 1.00 0.00 C ATOM 388 CG GLU A 25 12.573 -9.542 4.695 1.00 0.00 C ATOM 389 CD GLU A 25 11.621 -10.329 5.569 1.00 0.00 C ATOM 390 OE1 GLU A 25 10.481 -10.590 5.129 1.00 0.00 O ATOM 391 OE2 GLU A 25 12.024 -10.729 6.678 1.00 0.00 O1- ATOM 0 H GLU A 25 11.203 -6.271 2.924 1.00 0.00 H new ATOM 0 HA GLU A 25 13.731 -7.118 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.852 -7.563 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.996 -8.430 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.861 -10.154 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.483 -9.332 5.257 1.00 0.00 H new ATOM 398 N HIS A 26 12.355 -8.903 1.202 1.00 0.00 N ATOM 399 CA HIS A 26 12.587 -9.924 0.197 1.00 0.00 C ATOM 400 C HIS A 26 13.754 -9.555 -0.705 1.00 0.00 C ATOM 401 O HIS A 26 14.525 -10.421 -1.096 1.00 0.00 O ATOM 402 CB HIS A 26 11.333 -10.154 -0.648 1.00 0.00 C ATOM 403 CG HIS A 26 11.487 -11.276 -1.626 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.587 -11.090 -2.989 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.568 -12.608 -1.427 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.721 -12.262 -3.579 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.709 -13.199 -2.655 1.00 0.00 N ATOM 0 H HIS A 26 11.434 -8.467 1.153 1.00 0.00 H new ATOM 0 HA HIS A 26 12.833 -10.847 0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.491 -10.366 0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.092 -9.238 -1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.529 -13.115 -0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.823 -12.425 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.791 -14.201 -2.825 1.00 0.00 H new ATOM 416 N LYS A 27 13.888 -8.280 -1.038 1.00 0.00 N ATOM 417 CA LYS A 27 14.973 -7.866 -1.919 1.00 0.00 C ATOM 418 C LYS A 27 16.278 -7.681 -1.142 1.00 0.00 C ATOM 419 O LYS A 27 17.361 -7.736 -1.717 1.00 0.00 O ATOM 420 CB LYS A 27 14.609 -6.594 -2.700 1.00 0.00 C ATOM 421 CG LYS A 27 15.728 -6.082 -3.604 1.00 0.00 C ATOM 422 CD LYS A 27 15.203 -5.130 -4.669 1.00 0.00 C ATOM 423 CE LYS A 27 14.507 -5.877 -5.799 1.00 0.00 C ATOM 424 NZ LYS A 27 15.475 -6.584 -6.686 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.276 -7.528 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 27 15.127 -8.665 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.726 -6.793 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.339 -5.810 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.479 -5.573 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.223 -6.926 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.506 -4.425 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.029 -4.546 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.808 -6.599 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.921 -5.174 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.962 -7.036 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.158 -5.900 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.981 -7.310 -6.139 1.00 0.00 H new ATOM 438 N LYS A 28 16.185 -7.475 0.166 1.00 0.00 N ATOM 439 CA LYS A 28 17.386 -7.420 0.995 1.00 0.00 C ATOM 440 C LYS A 28 18.017 -8.805 1.093 1.00 0.00 C ATOM 441 O LYS A 28 19.222 -8.973 0.891 1.00 0.00 O ATOM 442 CB LYS A 28 17.068 -6.916 2.403 1.00 0.00 C ATOM 443 CG LYS A 28 16.449 -5.533 2.450 1.00 0.00 C ATOM 444 CD LYS A 28 16.101 -5.141 3.878 1.00 0.00 C ATOM 445 CE LYS A 28 15.206 -3.917 3.926 1.00 0.00 C ATOM 446 NZ LYS A 28 15.883 -2.694 3.418 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.308 -7.345 0.670 1.00 0.00 H new ATOM 0 HA LYS A 28 18.081 -6.725 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.389 -7.621 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.987 -6.909 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.142 -4.806 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.550 -5.512 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.603 -5.975 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.017 -4.943 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.309 -4.104 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.882 -3.748 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.200 -1.911 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.664 -2.439 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.259 -2.876 2.466 1.00 0.00 H new ATOM 460 N LYS A 29 17.184 -9.788 1.405 1.00 0.00 N ATOM 461 CA LYS A 29 17.641 -11.157 1.611 1.00 0.00 C ATOM 462 C LYS A 29 17.683 -11.941 0.298 1.00 0.00 C ATOM 463 O LYS A 29 18.316 -12.990 0.212 1.00 0.00 O ATOM 464 CB LYS A 29 16.732 -11.832 2.640 1.00 0.00 C ATOM 465 CG LYS A 29 16.688 -11.060 3.953 1.00 0.00 C ATOM 466 CD LYS A 29 15.687 -11.628 4.944 1.00 0.00 C ATOM 467 CE LYS A 29 15.577 -10.723 6.165 1.00 0.00 C ATOM 468 NZ LYS A 29 14.602 -11.224 7.171 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.179 -9.662 1.522 1.00 0.00 H new ATOM 0 HA LYS A 29 18.663 -11.140 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.724 -11.916 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.086 -12.846 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.680 -11.065 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.437 -10.019 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.711 -11.728 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.996 -12.627 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.558 -10.630 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.280 -9.724 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.618 -10.607 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.647 -11.224 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.858 -12.193 7.450 1.00 0.00 H new ATOM 482 N HIS A 30 17.001 -11.429 -0.718 1.00 0.00 N ATOM 483 CA HIS A 30 17.089 -11.973 -2.075 1.00 0.00 C ATOM 484 C HIS A 30 17.120 -10.825 -3.080 1.00 0.00 C ATOM 485 O HIS A 30 16.093 -10.474 -3.660 1.00 0.00 O ATOM 486 CB HIS A 30 15.909 -12.902 -2.403 1.00 0.00 C ATOM 487 CG HIS A 30 15.925 -14.212 -1.679 1.00 0.00 C ATOM 488 ND1 HIS A 30 16.419 -15.371 -2.237 1.00 0.00 N ATOM 489 CD2 HIS A 30 15.497 -14.548 -0.441 1.00 0.00 C ATOM 490 CE1 HIS A 30 16.295 -16.359 -1.373 1.00 0.00 C ATOM 491 NE2 HIS A 30 15.741 -15.888 -0.272 1.00 0.00 N ATOM 0 H HIS A 30 16.374 -10.630 -0.630 1.00 0.00 H new ATOM 0 HA HIS A 30 18.004 -12.562 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.980 -12.383 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.903 -13.095 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.046 -13.884 0.282 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.596 -17.383 -1.539 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.529 -16.430 0.566 1.00 0.00 H new ATOM 500 N PRO A 31 18.297 -10.215 -3.285 1.00 0.00 N ATOM 501 CA PRO A 31 18.445 -9.027 -4.140 1.00 0.00 C ATOM 502 C PRO A 31 18.107 -9.314 -5.596 1.00 0.00 C ATOM 503 O PRO A 31 17.581 -8.456 -6.309 1.00 0.00 O ATOM 504 CB PRO A 31 19.928 -8.657 -4.002 1.00 0.00 C ATOM 505 CG PRO A 31 20.405 -9.380 -2.789 1.00 0.00 C ATOM 506 CD PRO A 31 19.582 -10.630 -2.702 1.00 0.00 C ATOM 0 HA PRO A 31 17.765 -8.230 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.492 -8.957 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.056 -7.580 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.466 -9.616 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.280 -8.768 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.033 -11.451 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.468 -10.969 -1.672 1.00 0.00 H new ATOM 514 N ASP A 32 18.386 -10.538 -6.014 1.00 0.00 N ATOM 515 CA ASP A 32 18.196 -10.955 -7.397 1.00 0.00 C ATOM 516 C ASP A 32 16.717 -11.173 -7.711 1.00 0.00 C ATOM 517 O ASP A 32 16.306 -11.157 -8.871 1.00 0.00 O ATOM 518 CB ASP A 32 18.999 -12.237 -7.652 1.00 0.00 C ATOM 519 CG ASP A 32 18.742 -12.856 -9.013 1.00 0.00 C ATOM 520 OD1 ASP A 32 19.011 -12.195 -10.036 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 18.275 -14.013 -9.059 1.00 0.00 O ATOM 0 H ASP A 32 18.750 -11.271 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 32 18.555 -10.165 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.062 -12.014 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.757 -12.967 -6.879 1.00 0.00 H new ATOM 526 N ALA A 33 15.913 -11.346 -6.674 1.00 0.00 N ATOM 527 CA ALA A 33 14.509 -11.665 -6.856 1.00 0.00 C ATOM 528 C ALA A 33 13.611 -10.473 -6.571 1.00 0.00 C ATOM 529 O ALA A 33 13.740 -9.802 -5.546 1.00 0.00 O ATOM 530 CB ALA A 33 14.104 -12.830 -5.969 1.00 0.00 C ATOM 0 H ALA A 33 16.209 -11.271 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 33 14.381 -11.942 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.048 -13.053 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.700 -13.706 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.273 -12.568 -4.925 1.00 0.00 H new ATOM 536 N SER A 34 12.706 -10.212 -7.492 1.00 0.00 N ATOM 537 CA SER A 34 11.624 -9.284 -7.252 1.00 0.00 C ATOM 538 C SER A 34 10.413 -10.080 -6.784 1.00 0.00 C ATOM 539 O SER A 34 10.538 -11.262 -6.453 1.00 0.00 O ATOM 540 CB SER A 34 11.317 -8.499 -8.527 1.00 0.00 C ATOM 541 OG SER A 34 11.138 -9.368 -9.630 1.00 0.00 O ATOM 0 H SER A 34 12.701 -10.634 -8.420 1.00 0.00 H new ATOM 0 HA SER A 34 11.899 -8.562 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.417 -7.901 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.131 -7.805 -8.735 1.00 0.00 H new ATOM 0 HG SER A 34 10.941 -8.841 -10.433 1.00 0.00 H new ATOM 547 N VAL A 35 9.255 -9.451 -6.725 1.00 0.00 N ATOM 548 CA VAL A 35 8.039 -10.167 -6.384 1.00 0.00 C ATOM 549 C VAL A 35 6.970 -9.895 -7.426 1.00 0.00 C ATOM 550 O VAL A 35 7.025 -8.891 -8.139 1.00 0.00 O ATOM 551 CB VAL A 35 7.496 -9.785 -4.989 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.552 -9.986 -3.912 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.990 -8.357 -4.985 1.00 0.00 C ATOM 0 H VAL A 35 9.130 -8.455 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 35 8.291 -11.227 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 35 6.660 -10.447 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.140 -9.709 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.856 -11.033 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.418 -9.361 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.612 -8.108 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.806 -7.681 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.188 -8.253 -5.716 1.00 0.00 H new ATOM 563 N ASN A 36 6.010 -10.793 -7.521 1.00 0.00 N ATOM 564 CA ASN A 36 4.892 -10.607 -8.428 1.00 0.00 C ATOM 565 C ASN A 36 3.807 -9.796 -7.734 1.00 0.00 C ATOM 566 O ASN A 36 3.252 -10.240 -6.731 1.00 0.00 O ATOM 567 CB ASN A 36 4.344 -11.959 -8.892 1.00 0.00 C ATOM 568 CG ASN A 36 5.368 -12.769 -9.663 1.00 0.00 C ATOM 569 OD1 ASN A 36 5.470 -12.659 -10.886 1.00 0.00 O ATOM 570 ND2 ASN A 36 6.138 -13.586 -8.956 1.00 0.00 N ATOM 0 H ASN A 36 5.980 -11.659 -6.982 1.00 0.00 H new ATOM 0 HA ASN A 36 5.233 -10.064 -9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.013 -12.530 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.468 -11.796 -9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.846 -14.152 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.022 -13.648 -7.945 1.00 0.00 H new ATOM 577 N PHE A 37 3.531 -8.604 -8.268 1.00 0.00 N ATOM 578 CA PHE A 37 2.568 -7.669 -7.671 1.00 0.00 C ATOM 579 C PHE A 37 1.285 -8.365 -7.235 1.00 0.00 C ATOM 580 O PHE A 37 0.941 -8.367 -6.053 1.00 0.00 O ATOM 581 CB PHE A 37 2.217 -6.555 -8.661 1.00 0.00 C ATOM 582 CG PHE A 37 3.239 -5.459 -8.765 1.00 0.00 C ATOM 583 CD1 PHE A 37 4.294 -5.553 -9.657 1.00 0.00 C ATOM 584 CD2 PHE A 37 3.131 -4.321 -7.982 1.00 0.00 C ATOM 585 CE1 PHE A 37 5.222 -4.535 -9.765 1.00 0.00 C ATOM 586 CE2 PHE A 37 4.052 -3.299 -8.089 1.00 0.00 C ATOM 587 CZ PHE A 37 5.100 -3.406 -8.980 1.00 0.00 C ATOM 0 H PHE A 37 3.966 -8.258 -9.123 1.00 0.00 H new ATOM 0 HA PHE A 37 3.047 -7.247 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.076 -6.996 -9.648 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.263 -6.116 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.393 -6.433 -10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.316 -4.233 -7.279 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.042 -4.622 -10.463 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.953 -2.416 -7.476 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.823 -2.608 -9.063 1.00 0.00 H new ATOM 597 N SER A 38 0.599 -8.972 -8.191 1.00 0.00 N ATOM 598 CA SER A 38 -0.700 -9.580 -7.940 1.00 0.00 C ATOM 599 C SER A 38 -0.596 -10.761 -6.974 1.00 0.00 C ATOM 600 O SER A 38 -1.524 -11.042 -6.213 1.00 0.00 O ATOM 601 CB SER A 38 -1.311 -10.034 -9.262 1.00 0.00 C ATOM 602 OG SER A 38 -1.261 -8.994 -10.230 1.00 0.00 O ATOM 0 H SER A 38 0.922 -9.057 -9.155 1.00 0.00 H new ATOM 0 HA SER A 38 -1.341 -8.832 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.775 -10.907 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.345 -10.338 -9.103 1.00 0.00 H new ATOM 0 HG SER A 38 -1.657 -9.309 -11.069 1.00 0.00 H new ATOM 608 N GLU A 39 0.539 -11.444 -6.992 1.00 0.00 N ATOM 609 CA GLU A 39 0.721 -12.631 -6.170 1.00 0.00 C ATOM 610 C GLU A 39 1.053 -12.252 -4.738 1.00 0.00 C ATOM 611 O GLU A 39 0.403 -12.707 -3.803 1.00 0.00 O ATOM 612 CB GLU A 39 1.828 -13.513 -6.742 1.00 0.00 C ATOM 613 CG GLU A 39 1.564 -13.945 -8.168 1.00 0.00 C ATOM 614 CD GLU A 39 0.251 -14.692 -8.308 1.00 0.00 C ATOM 615 OE1 GLU A 39 -0.796 -14.038 -8.511 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 0.255 -15.932 -8.199 1.00 0.00 O ATOM 0 H GLU A 39 1.346 -11.197 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.216 -13.189 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.773 -12.972 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.940 -14.398 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.551 -13.068 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.380 -14.582 -8.510 1.00 0.00 H new ATOM 623 N PHE A 40 2.053 -11.403 -4.583 1.00 0.00 N ATOM 624 CA PHE A 40 2.532 -10.998 -3.271 1.00 0.00 C ATOM 625 C PHE A 40 1.421 -10.302 -2.486 1.00 0.00 C ATOM 626 O PHE A 40 1.281 -10.504 -1.280 1.00 0.00 O ATOM 627 CB PHE A 40 3.738 -10.075 -3.439 1.00 0.00 C ATOM 628 CG PHE A 40 4.524 -9.848 -2.180 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.381 -10.825 -1.696 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.415 -8.654 -1.489 1.00 0.00 C ATOM 631 CE1 PHE A 40 6.111 -10.615 -0.544 1.00 0.00 C ATOM 632 CE2 PHE A 40 5.145 -8.439 -0.338 1.00 0.00 C ATOM 633 CZ PHE A 40 5.994 -9.420 0.134 1.00 0.00 C ATOM 0 H PHE A 40 2.556 -10.975 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 40 2.834 -11.881 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.400 -10.496 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.394 -9.112 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.478 -11.761 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.752 -7.883 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.772 -11.385 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.052 -7.503 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.566 -9.251 1.034 1.00 0.00 H new ATOM 643 N SER A 41 0.613 -9.514 -3.187 1.00 0.00 N ATOM 644 CA SER A 41 -0.469 -8.777 -2.557 1.00 0.00 C ATOM 645 C SER A 41 -1.530 -9.715 -1.976 1.00 0.00 C ATOM 646 O SER A 41 -1.890 -9.588 -0.805 1.00 0.00 O ATOM 647 CB SER A 41 -1.103 -7.817 -3.562 1.00 0.00 C ATOM 648 OG SER A 41 -1.391 -8.478 -4.780 1.00 0.00 O ATOM 0 H SER A 41 0.690 -9.371 -4.194 1.00 0.00 H new ATOM 0 HA SER A 41 -0.047 -8.206 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.019 -7.400 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.428 -6.981 -3.748 1.00 0.00 H new ATOM 0 HG SER A 41 -0.596 -8.468 -5.354 1.00 0.00 H new ATOM 654 N LYS A 42 -2.014 -10.663 -2.783 1.00 0.00 N ATOM 655 CA LYS A 42 -3.091 -11.548 -2.343 1.00 0.00 C ATOM 656 C LYS A 42 -2.684 -12.381 -1.124 1.00 0.00 C ATOM 657 O LYS A 42 -3.410 -12.411 -0.131 1.00 0.00 O ATOM 658 CB LYS A 42 -3.582 -12.459 -3.481 1.00 0.00 C ATOM 659 CG LYS A 42 -2.506 -13.329 -4.111 1.00 0.00 C ATOM 660 CD LYS A 42 -3.099 -14.421 -4.990 1.00 0.00 C ATOM 661 CE LYS A 42 -3.839 -13.850 -6.188 1.00 0.00 C ATOM 662 NZ LYS A 42 -2.924 -13.172 -7.145 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.681 -10.835 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.919 -10.905 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.372 -13.104 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.028 -11.838 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.839 -12.706 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.901 -13.784 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.303 -15.080 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.782 -15.031 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.369 -14.652 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.591 -13.141 -5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.440 -12.949 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.567 -12.293 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.125 -13.800 -7.365 1.00 0.00 H new ATOM 676 N LYS A 43 -1.515 -13.014 -1.174 1.00 0.00 N ATOM 677 CA LYS A 43 -1.091 -13.910 -0.102 1.00 0.00 C ATOM 678 C LYS A 43 -0.854 -13.143 1.192 1.00 0.00 C ATOM 679 O LYS A 43 -1.284 -13.567 2.267 1.00 0.00 O ATOM 680 CB LYS A 43 0.176 -14.672 -0.494 1.00 0.00 C ATOM 681 CG LYS A 43 1.190 -13.814 -1.226 1.00 0.00 C ATOM 682 CD LYS A 43 2.574 -14.436 -1.249 1.00 0.00 C ATOM 683 CE LYS A 43 3.353 -14.081 0.004 1.00 0.00 C ATOM 684 NZ LYS A 43 2.926 -14.874 1.187 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.848 -12.924 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.895 -14.628 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.638 -15.081 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.098 -15.517 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.852 -13.652 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.244 -12.835 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.488 -15.519 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.117 -14.090 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.416 -14.245 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.226 -13.020 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.733 -14.998 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.161 -14.374 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.585 -15.806 0.876 1.00 0.00 H new ATOM 698 N CYS A 44 -0.169 -12.012 1.095 1.00 0.00 N ATOM 699 CA CYS A 44 0.105 -11.202 2.270 1.00 0.00 C ATOM 700 C CYS A 44 -1.193 -10.653 2.853 1.00 0.00 C ATOM 701 O CYS A 44 -1.345 -10.558 4.069 1.00 0.00 O ATOM 702 CB CYS A 44 1.074 -10.070 1.925 1.00 0.00 C ATOM 703 SG CYS A 44 2.725 -10.647 1.463 1.00 0.00 S ATOM 0 H CYS A 44 0.204 -11.638 0.222 1.00 0.00 H new ATOM 0 HA CYS A 44 0.576 -11.831 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.659 -9.485 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.158 -9.401 2.782 1.00 0.00 H new ATOM 0 HG CYS A 44 2.781 -10.815 0.175 1.00 0.00 H new ATOM 709 N SER A 45 -2.141 -10.330 1.983 1.00 0.00 N ATOM 710 CA SER A 45 -3.426 -9.815 2.421 1.00 0.00 C ATOM 711 C SER A 45 -4.195 -10.871 3.214 1.00 0.00 C ATOM 712 O SER A 45 -4.819 -10.557 4.229 1.00 0.00 O ATOM 713 CB SER A 45 -4.252 -9.346 1.223 1.00 0.00 C ATOM 714 OG SER A 45 -5.468 -8.759 1.643 1.00 0.00 O ATOM 0 H SER A 45 -2.042 -10.416 0.972 1.00 0.00 H new ATOM 0 HA SER A 45 -3.243 -8.962 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.678 -8.625 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.460 -10.191 0.567 1.00 0.00 H new ATOM 0 HG SER A 45 -5.350 -7.790 1.732 1.00 0.00 H new ATOM 720 N GLU A 46 -4.143 -12.121 2.753 1.00 0.00 N ATOM 721 CA GLU A 46 -4.784 -13.226 3.464 1.00 0.00 C ATOM 722 C GLU A 46 -4.226 -13.330 4.876 1.00 0.00 C ATOM 723 O GLU A 46 -4.971 -13.468 5.850 1.00 0.00 O ATOM 724 CB GLU A 46 -4.558 -14.549 2.727 1.00 0.00 C ATOM 725 CG GLU A 46 -5.007 -14.533 1.277 1.00 0.00 C ATOM 726 CD GLU A 46 -4.725 -15.846 0.580 1.00 0.00 C ATOM 727 OE1 GLU A 46 -3.539 -16.237 0.496 1.00 0.00 O ATOM 728 OE2 GLU A 46 -5.688 -16.491 0.107 1.00 0.00 O1- ATOM 0 H GLU A 46 -3.665 -12.392 1.894 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.855 -13.028 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.497 -14.798 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.091 -15.341 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.075 -14.321 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.498 -13.726 0.749 1.00 0.00 H new ATOM 735 N ARG A 47 -2.908 -13.237 4.978 1.00 0.00 N ATOM 736 CA ARG A 47 -2.239 -13.313 6.263 1.00 0.00 C ATOM 737 C ARG A 47 -2.602 -12.107 7.123 1.00 0.00 C ATOM 738 O ARG A 47 -2.881 -12.255 8.303 1.00 0.00 O ATOM 739 CB ARG A 47 -0.726 -13.407 6.072 1.00 0.00 C ATOM 740 CG ARG A 47 0.025 -13.721 7.354 1.00 0.00 C ATOM 741 CD ARG A 47 1.512 -13.892 7.101 1.00 0.00 C ATOM 742 NE ARG A 47 2.217 -14.362 8.291 1.00 0.00 N ATOM 743 CZ ARG A 47 3.498 -14.731 8.306 1.00 0.00 C ATOM 744 NH1 ARG A 47 4.229 -14.684 7.199 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 4.056 -15.158 9.425 1.00 0.00 N ATOM 0 H ARG A 47 -2.282 -13.109 4.183 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.574 -14.213 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.508 -14.178 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.359 -12.464 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.132 -12.919 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.377 -14.632 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.662 -14.601 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.937 -12.941 6.779 1.00 0.00 H new ATOM 0 HE ARG A 47 1.696 -14.411 9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.812 -14.363 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.208 -14.969 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.506 -15.207 10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.036 -15.439 9.431 1.00 0.00 H new ATOM 759 N TRP A 48 -2.622 -10.923 6.515 1.00 0.00 N ATOM 760 CA TRP A 48 -2.978 -9.689 7.219 1.00 0.00 C ATOM 761 C TRP A 48 -4.370 -9.785 7.844 1.00 0.00 C ATOM 762 O TRP A 48 -4.549 -9.484 9.026 1.00 0.00 O ATOM 763 CB TRP A 48 -2.921 -8.495 6.260 1.00 0.00 C ATOM 764 CG TRP A 48 -3.460 -7.213 6.842 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.750 -6.759 6.772 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.730 -6.220 7.574 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.861 -5.549 7.414 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.638 -5.198 7.917 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.400 -6.096 7.978 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.253 -4.069 8.636 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -1.021 -4.975 8.693 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.945 -3.976 9.018 1.00 0.00 C ATOM 0 H TRP A 48 -2.394 -10.790 5.530 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.254 -9.544 8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.887 -8.337 5.955 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.485 -8.738 5.360 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.562 -7.277 6.283 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.717 -5.001 7.501 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.679 -6.863 7.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.964 -3.294 8.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.007 -4.869 9.006 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.618 -3.115 9.582 1.00 0.00 H new ATOM 783 N LYS A 49 -5.350 -10.210 7.047 1.00 0.00 N ATOM 784 CA LYS A 49 -6.733 -10.291 7.513 1.00 0.00 C ATOM 785 C LYS A 49 -6.867 -11.303 8.650 1.00 0.00 C ATOM 786 O LYS A 49 -7.796 -11.230 9.455 1.00 0.00 O ATOM 787 CB LYS A 49 -7.682 -10.684 6.374 1.00 0.00 C ATOM 788 CG LYS A 49 -7.637 -9.773 5.153 1.00 0.00 C ATOM 789 CD LYS A 49 -8.886 -9.954 4.301 1.00 0.00 C ATOM 790 CE LYS A 49 -8.766 -9.274 2.944 1.00 0.00 C ATOM 791 NZ LYS A 49 -7.782 -9.962 2.071 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.212 -10.502 6.080 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.008 -9.301 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.445 -11.700 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.701 -10.699 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.555 -8.734 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.750 -9.995 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.073 -11.018 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.747 -9.549 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.740 -9.262 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.466 -8.235 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.031 -9.295 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.364 -10.765 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.260 -10.309 1.215 1.00 0.00 H new ATOM 805 N THR A 50 -5.936 -12.245 8.714 1.00 0.00 N ATOM 806 CA THR A 50 -5.988 -13.300 9.713 1.00 0.00 C ATOM 807 C THR A 50 -4.841 -13.181 10.721 1.00 0.00 C ATOM 808 O THR A 50 -4.530 -14.135 11.443 1.00 0.00 O ATOM 809 CB THR A 50 -5.953 -14.684 9.038 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.785 -14.807 8.212 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.197 -14.902 8.189 1.00 0.00 C ATOM 0 H THR A 50 -5.135 -12.299 8.084 1.00 0.00 H new ATOM 0 HA THR A 50 -6.927 -13.189 10.256 1.00 0.00 H new ATOM 0 HB THR A 50 -5.923 -15.440 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.924 -14.318 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.151 -15.886 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.084 -14.841 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.249 -14.135 7.416 1.00 0.00 H new ATOM 819 N MET A 51 -4.225 -12.006 10.785 1.00 0.00 N ATOM 820 CA MET A 51 -3.078 -11.783 11.660 1.00 0.00 C ATOM 821 C MET A 51 -3.488 -11.000 12.904 1.00 0.00 C ATOM 822 O MET A 51 -4.500 -10.293 12.897 1.00 0.00 O ATOM 823 CB MET A 51 -1.978 -11.025 10.904 1.00 0.00 C ATOM 824 CG MET A 51 -0.662 -10.907 11.665 1.00 0.00 C ATOM 825 SD MET A 51 0.606 -10.017 10.739 1.00 0.00 S ATOM 826 CE MET A 51 -0.189 -8.427 10.526 1.00 0.00 C ATOM 0 H MET A 51 -4.501 -11.190 10.239 1.00 0.00 H new ATOM 0 HA MET A 51 -2.694 -12.754 11.974 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.792 -11.529 9.955 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.339 -10.024 10.668 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.840 -10.396 12.611 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.296 -11.905 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.539 -7.702 10.164 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.999 -8.519 9.803 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.592 -8.091 11.481 1.00 0.00 H new ATOM 836 N SER A 52 -2.702 -11.139 13.965 1.00 0.00 N ATOM 837 CA SER A 52 -2.934 -10.418 15.207 1.00 0.00 C ATOM 838 C SER A 52 -2.788 -8.906 15.014 1.00 0.00 C ATOM 839 O SER A 52 -1.959 -8.439 14.228 1.00 0.00 O ATOM 840 CB SER A 52 -1.964 -10.927 16.274 1.00 0.00 C ATOM 841 OG SER A 52 -0.730 -11.317 15.685 1.00 0.00 O ATOM 0 H SER A 52 -1.888 -11.754 13.987 1.00 0.00 H new ATOM 0 HA SER A 52 -3.958 -10.601 15.532 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.789 -10.147 17.015 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.405 -11.773 16.800 1.00 0.00 H new ATOM 0 HG SER A 52 0.012 -11.012 16.248 1.00 0.00 H new ATOM 847 N ALA A 53 -3.596 -8.145 15.745 1.00 0.00 N ATOM 848 CA ALA A 53 -3.641 -6.696 15.592 1.00 0.00 C ATOM 849 C ALA A 53 -2.412 -6.017 16.192 1.00 0.00 C ATOM 850 O ALA A 53 -2.096 -4.877 15.847 1.00 0.00 O ATOM 851 CB ALA A 53 -4.914 -6.146 16.214 1.00 0.00 C ATOM 0 H ALA A 53 -4.232 -8.511 16.453 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.639 -6.475 14.525 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.939 -5.063 16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.780 -6.585 15.719 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.938 -6.395 17.275 1.00 0.00 H new ATOM 857 N LYS A 54 -1.719 -6.719 17.079 1.00 0.00 N ATOM 858 CA LYS A 54 -0.509 -6.187 17.704 1.00 0.00 C ATOM 859 C LYS A 54 0.564 -5.945 16.650 1.00 0.00 C ATOM 860 O LYS A 54 1.210 -4.895 16.629 1.00 0.00 O ATOM 861 CB LYS A 54 0.014 -7.156 18.766 1.00 0.00 C ATOM 862 CG LYS A 54 -1.031 -7.541 19.796 1.00 0.00 C ATOM 863 CD LYS A 54 -0.441 -8.393 20.904 1.00 0.00 C ATOM 864 CE LYS A 54 0.512 -7.594 21.776 1.00 0.00 C ATOM 865 NZ LYS A 54 0.994 -8.392 22.934 1.00 0.00 N1+ ATOM 0 H LYS A 54 -1.972 -7.659 17.384 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.756 -5.240 18.184 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.380 -8.058 18.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.865 -6.702 19.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.469 -6.639 20.224 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.839 -8.087 19.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.244 -8.799 21.519 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.087 -9.242 20.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.364 -7.266 21.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.010 -6.696 22.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.642 -7.815 23.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.183 -8.684 23.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.494 -9.236 22.590 1.00 0.00 H new ATOM 879 N GLU A 55 0.737 -6.925 15.772 1.00 0.00 N ATOM 880 CA GLU A 55 1.668 -6.815 14.662 1.00 0.00 C ATOM 881 C GLU A 55 1.239 -5.695 13.720 1.00 0.00 C ATOM 882 O GLU A 55 2.072 -4.941 13.221 1.00 0.00 O ATOM 883 CB GLU A 55 1.754 -8.150 13.913 1.00 0.00 C ATOM 884 CG GLU A 55 2.619 -9.198 14.606 1.00 0.00 C ATOM 885 CD GLU A 55 2.326 -9.339 16.088 1.00 0.00 C ATOM 886 OE1 GLU A 55 1.227 -9.820 16.442 1.00 0.00 O1- ATOM 887 OE2 GLU A 55 3.186 -8.949 16.904 1.00 0.00 O ATOM 0 H GLU A 55 0.237 -7.813 15.811 1.00 0.00 H new ATOM 0 HA GLU A 55 2.656 -6.573 15.053 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.748 -8.550 13.788 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.151 -7.969 12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.467 -10.162 14.120 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.669 -8.936 14.474 1.00 0.00 H new ATOM 894 N LYS A 56 -0.066 -5.584 13.498 1.00 0.00 N ATOM 895 CA LYS A 56 -0.622 -4.508 12.679 1.00 0.00 C ATOM 896 C LYS A 56 -0.233 -3.149 13.256 1.00 0.00 C ATOM 897 O LYS A 56 0.233 -2.264 12.535 1.00 0.00 O ATOM 898 CB LYS A 56 -2.148 -4.611 12.601 1.00 0.00 C ATOM 899 CG LYS A 56 -2.656 -5.940 12.065 1.00 0.00 C ATOM 900 CD LYS A 56 -4.169 -5.927 11.902 1.00 0.00 C ATOM 901 CE LYS A 56 -4.705 -7.291 11.499 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.179 -7.275 11.312 1.00 0.00 N1+ ATOM 0 H LYS A 56 -0.762 -6.227 13.874 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.212 -4.606 11.674 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.563 -4.451 13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.523 -3.808 11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.186 -6.151 11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.368 -6.743 12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.633 -5.616 12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.447 -5.190 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.225 -7.610 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.444 -8.024 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.504 -8.224 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.639 -6.995 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.427 -6.595 10.565 1.00 0.00 H new ATOM 916 N GLY A 57 -0.413 -3.004 14.566 1.00 0.00 N ATOM 917 CA GLY A 57 -0.034 -1.779 15.244 1.00 0.00 C ATOM 918 C GLY A 57 1.458 -1.521 15.164 1.00 0.00 C ATOM 919 O GLY A 57 1.900 -0.373 15.174 1.00 0.00 O ATOM 0 H GLY A 57 -0.817 -3.718 15.172 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.571 -0.940 14.802 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.336 -1.836 16.290 1.00 0.00 H new ATOM 923 N LYS A 58 2.235 -2.597 15.093 1.00 0.00 N ATOM 924 CA LYS A 58 3.678 -2.502 14.910 1.00 0.00 C ATOM 925 C LYS A 58 4.005 -1.849 13.570 1.00 0.00 C ATOM 926 O LYS A 58 4.864 -0.969 13.488 1.00 0.00 O ATOM 927 CB LYS A 58 4.314 -3.893 14.995 1.00 0.00 C ATOM 928 CG LYS A 58 5.784 -3.927 14.610 1.00 0.00 C ATOM 929 CD LYS A 58 6.343 -5.342 14.632 1.00 0.00 C ATOM 930 CE LYS A 58 5.550 -6.285 13.738 1.00 0.00 C ATOM 931 NZ LYS A 58 6.260 -7.578 13.545 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.885 -3.553 15.160 1.00 0.00 H new ATOM 0 HA LYS A 58 4.089 -1.880 15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.207 -4.268 16.013 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.763 -4.573 14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.908 -3.503 13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.354 -3.301 15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.384 -5.325 14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.334 -5.719 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.570 -6.469 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.380 -5.814 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.693 -8.197 12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.184 -7.404 13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.400 -8.038 14.467 1.00 0.00 H new ATOM 945 N PHE A 59 3.305 -2.271 12.523 1.00 0.00 N ATOM 946 CA PHE A 59 3.502 -1.696 11.198 1.00 0.00 C ATOM 947 C PHE A 59 3.057 -0.238 11.181 1.00 0.00 C ATOM 948 O PHE A 59 3.671 0.596 10.520 1.00 0.00 O ATOM 949 CB PHE A 59 2.748 -2.495 10.127 1.00 0.00 C ATOM 950 CG PHE A 59 3.264 -3.897 9.948 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.518 -4.120 9.402 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.506 -4.987 10.335 1.00 0.00 C ATOM 953 CE1 PHE A 59 5.003 -5.403 9.248 1.00 0.00 C ATOM 954 CE2 PHE A 59 2.989 -6.273 10.188 1.00 0.00 C ATOM 955 CZ PHE A 59 4.238 -6.481 9.643 1.00 0.00 C ATOM 0 H PHE A 59 2.599 -3.006 12.566 1.00 0.00 H new ATOM 0 HA PHE A 59 4.566 -1.744 10.967 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.692 -2.537 10.393 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.817 -1.967 9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.123 -3.280 9.093 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.524 -4.831 10.757 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.981 -5.563 8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.388 -7.115 10.500 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.617 -7.486 9.526 1.00 0.00 H new ATOM 965 N GLU A 60 1.999 0.065 11.931 1.00 0.00 N ATOM 966 CA GLU A 60 1.501 1.433 12.033 1.00 0.00 C ATOM 967 C GLU A 60 2.498 2.315 12.790 1.00 0.00 C ATOM 968 O GLU A 60 2.672 3.493 12.472 1.00 0.00 O ATOM 969 CB GLU A 60 0.135 1.456 12.721 1.00 0.00 C ATOM 970 CG GLU A 60 -0.509 2.834 12.750 1.00 0.00 C ATOM 971 CD GLU A 60 -1.909 2.815 13.325 1.00 0.00 C ATOM 972 OE1 GLU A 60 -2.869 2.629 12.551 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -2.058 2.988 14.552 1.00 0.00 O ATOM 0 H GLU A 60 1.472 -0.618 12.475 1.00 0.00 H new ATOM 0 HA GLU A 60 1.387 1.832 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.532 0.763 12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.246 1.094 13.743 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.112 3.508 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.542 3.236 11.737 1.00 0.00 H new ATOM 980 N ASP A 61 3.156 1.736 13.790 1.00 0.00 N ATOM 981 CA ASP A 61 4.185 2.451 14.541 1.00 0.00 C ATOM 982 C ASP A 61 5.350 2.806 13.629 1.00 0.00 C ATOM 983 O ASP A 61 5.879 3.921 13.680 1.00 0.00 O ATOM 984 CB ASP A 61 4.688 1.609 15.715 1.00 0.00 C ATOM 985 CG ASP A 61 5.747 2.329 16.529 1.00 0.00 C ATOM 986 OD1 ASP A 61 5.387 3.040 17.491 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 6.948 2.186 16.218 1.00 0.00 O ATOM 0 H ASP A 61 2.996 0.777 14.099 1.00 0.00 H new ATOM 0 HA ASP A 61 3.742 3.366 14.934 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.848 1.353 16.361 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.098 0.672 15.338 1.00 0.00 H new ATOM 992 N MET A 62 5.735 1.857 12.786 1.00 0.00 N ATOM 993 CA MET A 62 6.815 2.074 11.835 1.00 0.00 C ATOM 994 C MET A 62 6.373 3.034 10.737 1.00 0.00 C ATOM 995 O MET A 62 7.192 3.750 10.159 1.00 0.00 O ATOM 996 CB MET A 62 7.284 0.749 11.230 1.00 0.00 C ATOM 997 CG MET A 62 7.922 -0.185 12.247 1.00 0.00 C ATOM 998 SD MET A 62 8.646 -1.656 11.496 1.00 0.00 S ATOM 999 CE MET A 62 7.198 -2.410 10.762 1.00 0.00 C ATOM 0 H MET A 62 5.314 0.929 12.742 1.00 0.00 H new ATOM 0 HA MET A 62 7.654 2.519 12.370 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.433 0.247 10.769 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.001 0.954 10.435 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.695 0.355 12.793 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.170 -0.488 12.975 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.475 -3.360 10.304 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.448 -2.584 11.533 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.788 -1.746 10.001 1.00 0.00 H new ATOM 1009 N ALA A 63 5.073 3.052 10.457 1.00 0.00 N ATOM 1010 CA ALA A 63 4.509 4.012 9.516 1.00 0.00 C ATOM 1011 C ALA A 63 4.744 5.426 10.019 1.00 0.00 C ATOM 1012 O ALA A 63 5.110 6.319 9.259 1.00 0.00 O ATOM 1013 CB ALA A 63 3.023 3.758 9.304 1.00 0.00 C ATOM 0 H ALA A 63 4.392 2.413 10.868 1.00 0.00 H new ATOM 0 HA ALA A 63 5.008 3.891 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.626 4.488 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.879 2.753 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.499 3.851 10.255 1.00 0.00 H new ATOM 1019 N LYS A 64 4.552 5.609 11.318 1.00 0.00 N ATOM 1020 CA LYS A 64 4.809 6.889 11.959 1.00 0.00 C ATOM 1021 C LYS A 64 6.294 7.223 11.902 1.00 0.00 C ATOM 1022 O LYS A 64 6.674 8.392 11.836 1.00 0.00 O ATOM 1023 CB LYS A 64 4.341 6.864 13.414 1.00 0.00 C ATOM 1024 CG LYS A 64 2.856 6.594 13.576 1.00 0.00 C ATOM 1025 CD LYS A 64 2.425 6.608 15.038 1.00 0.00 C ATOM 1026 CE LYS A 64 2.480 8.006 15.649 1.00 0.00 C ATOM 1027 NZ LYS A 64 3.862 8.418 16.026 1.00 0.00 N1+ ATOM 0 H LYS A 64 4.217 4.882 11.951 1.00 0.00 H new ATOM 0 HA LYS A 64 4.251 7.656 11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.901 6.099 13.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.580 7.821 13.879 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.290 7.345 13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.614 5.626 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.410 6.219 15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.068 5.939 15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.073 8.725 14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.843 8.037 16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.861 8.788 16.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.497 7.596 15.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.193 9.158 15.375 1.00 0.00 H new ATOM 1041 N ALA A 65 7.125 6.186 11.933 1.00 0.00 N ATOM 1042 CA ALA A 65 8.572 6.358 11.883 1.00 0.00 C ATOM 1043 C ALA A 65 9.009 6.961 10.551 1.00 0.00 C ATOM 1044 O ALA A 65 9.702 7.979 10.524 1.00 0.00 O ATOM 1045 CB ALA A 65 9.278 5.033 12.127 1.00 0.00 C ATOM 0 H ALA A 65 6.819 5.215 11.993 1.00 0.00 H new ATOM 0 HA ALA A 65 8.855 7.052 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.357 5.183 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.002 4.649 13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.981 4.316 11.361 1.00 0.00 H new ATOM 1051 N ASP A 66 8.591 6.339 9.447 1.00 0.00 N ATOM 1052 CA ASP A 66 8.920 6.856 8.117 1.00 0.00 C ATOM 1053 C ASP A 66 8.215 8.180 7.888 1.00 0.00 C ATOM 1054 O ASP A 66 8.759 9.068 7.255 1.00 0.00 O ATOM 1055 CB ASP A 66 8.548 5.865 7.004 1.00 0.00 C ATOM 1056 CG ASP A 66 8.929 6.378 5.621 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.107 6.218 5.224 1.00 0.00 O1- ATOM 1058 OD2 ASP A 66 8.059 6.947 4.926 1.00 0.00 O ATOM 0 H ASP A 66 8.031 5.487 9.446 1.00 0.00 H new ATOM 0 HA ASP A 66 10.000 7.002 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.047 4.913 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.475 5.673 7.035 1.00 0.00 H new ATOM 1063 N LYS A 67 7.011 8.311 8.434 1.00 0.00 N ATOM 1064 CA LYS A 67 6.236 9.543 8.324 1.00 0.00 C ATOM 1065 C LYS A 67 7.009 10.737 8.892 1.00 0.00 C ATOM 1066 O LYS A 67 7.079 11.792 8.263 1.00 0.00 O ATOM 1067 CB LYS A 67 4.887 9.368 9.040 1.00 0.00 C ATOM 1068 CG LYS A 67 3.931 10.541 8.888 1.00 0.00 C ATOM 1069 CD LYS A 67 4.177 11.621 9.929 1.00 0.00 C ATOM 1070 CE LYS A 67 3.184 12.759 9.792 1.00 0.00 C ATOM 1071 NZ LYS A 67 1.781 12.296 9.953 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.547 7.572 8.962 1.00 0.00 H new ATOM 0 HA LYS A 67 6.053 9.749 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.402 8.470 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.073 9.203 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.039 10.968 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.905 10.184 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.103 11.190 10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.191 12.006 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.402 13.522 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.301 13.227 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.160 13.116 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.481 11.791 9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.718 11.656 10.771 1.00 0.00 H new ATOM 1085 N ALA A 68 7.593 10.569 10.070 1.00 0.00 N ATOM 1086 CA ALA A 68 8.346 11.645 10.705 1.00 0.00 C ATOM 1087 C ALA A 68 9.651 11.900 9.964 1.00 0.00 C ATOM 1088 O ALA A 68 10.089 13.046 9.828 1.00 0.00 O ATOM 1089 CB ALA A 68 8.613 11.311 12.164 1.00 0.00 C ATOM 0 H ALA A 68 7.561 9.701 10.605 1.00 0.00 H new ATOM 0 HA ALA A 68 7.750 12.556 10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.176 12.122 12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.665 11.183 12.687 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.190 10.388 12.226 1.00 0.00 H new ATOM 1095 N ARG A 69 10.266 10.832 9.475 1.00 0.00 N ATOM 1096 CA ARG A 69 11.470 10.964 8.676 1.00 0.00 C ATOM 1097 C ARG A 69 11.128 11.664 7.370 1.00 0.00 C ATOM 1098 O ARG A 69 11.848 12.547 6.929 1.00 0.00 O ATOM 1099 CB ARG A 69 12.091 9.598 8.396 1.00 0.00 C ATOM 1100 CG ARG A 69 13.487 9.681 7.800 1.00 0.00 C ATOM 1101 CD ARG A 69 14.044 8.300 7.513 1.00 0.00 C ATOM 1102 NE ARG A 69 15.453 8.336 7.121 1.00 0.00 N ATOM 1103 CZ ARG A 69 16.099 7.306 6.568 1.00 0.00 C ATOM 1104 NH1 ARG A 69 15.433 6.210 6.220 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 17.404 7.377 6.335 1.00 0.00 N ATOM 0 H ARG A 69 9.952 9.872 9.618 1.00 0.00 H new ATOM 0 HA ARG A 69 12.199 11.556 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.134 9.029 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.445 9.046 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.458 10.263 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.148 10.207 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.932 7.675 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.461 7.834 6.719 1.00 0.00 H new ATOM 0 HE ARG A 69 15.973 9.199 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.426 6.154 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.928 5.425 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.920 8.222 6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.890 6.586 5.912 1.00 0.00 H new ATOM 1119 N TYR A 70 10.004 11.262 6.786 1.00 0.00 N ATOM 1120 CA TYR A 70 9.442 11.874 5.592 1.00 0.00 C ATOM 1121 C TYR A 70 9.377 13.388 5.747 1.00 0.00 C ATOM 1122 O TYR A 70 9.779 14.129 4.848 1.00 0.00 O ATOM 1123 CB TYR A 70 8.039 11.286 5.373 1.00 0.00 C ATOM 1124 CG TYR A 70 7.250 11.879 4.234 1.00 0.00 C ATOM 1125 CD1 TYR A 70 6.578 13.084 4.381 1.00 0.00 C ATOM 1126 CD2 TYR A 70 7.156 11.220 3.020 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.844 13.620 3.349 1.00 0.00 C ATOM 1128 CE2 TYR A 70 6.425 11.750 1.978 1.00 0.00 C ATOM 1129 CZ TYR A 70 5.768 12.951 2.146 1.00 0.00 C ATOM 1130 OH TYR A 70 5.038 13.482 1.108 1.00 0.00 O ATOM 0 H TYR A 70 9.447 10.484 7.139 1.00 0.00 H new ATOM 0 HA TYR A 70 10.072 11.663 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.137 10.214 5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.466 11.411 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.632 13.610 5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.663 10.276 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.330 14.560 3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.367 11.227 1.035 1.00 0.00 H new ATOM 0 HH TYR A 70 5.090 12.885 0.333 1.00 0.00 H new ATOM 1140 N GLU A 71 8.880 13.825 6.901 1.00 0.00 N ATOM 1141 CA GLU A 71 8.761 15.235 7.223 1.00 0.00 C ATOM 1142 C GLU A 71 10.092 15.965 7.011 1.00 0.00 C ATOM 1143 O GLU A 71 10.167 16.940 6.258 1.00 0.00 O ATOM 1144 CB GLU A 71 8.295 15.379 8.675 1.00 0.00 C ATOM 1145 CG GLU A 71 6.880 14.879 8.927 1.00 0.00 C ATOM 1146 CD GLU A 71 6.415 15.152 10.349 1.00 0.00 C ATOM 1147 OE1 GLU A 71 6.638 14.300 11.234 1.00 0.00 O ATOM 1148 OE2 GLU A 71 5.830 16.229 10.599 1.00 0.00 O1- ATOM 0 H GLU A 71 8.548 13.204 7.639 1.00 0.00 H new ATOM 0 HA GLU A 71 8.028 15.690 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.982 14.833 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.354 16.429 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.197 15.359 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.836 13.807 8.732 1.00 0.00 H new ATOM 1390 N GLN B 16 -33.593 -11.893 16.445 1.00 0.00 N ATOM 1391 CA GLN B 16 -33.849 -10.479 16.154 1.00 0.00 C ATOM 1392 C GLN B 16 -32.529 -9.721 16.020 1.00 0.00 C ATOM 1393 O GLN B 16 -32.470 -8.513 16.231 1.00 0.00 O ATOM 1394 CB GLN B 16 -34.703 -9.833 17.254 1.00 0.00 C ATOM 1395 CG GLN B 16 -35.987 -10.582 17.588 1.00 0.00 C ATOM 1396 CD GLN B 16 -36.913 -10.743 16.399 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -36.928 -9.919 15.483 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -37.707 -11.797 16.417 1.00 0.00 N ATOM 0 HA GLN B 16 -34.397 -10.425 15.213 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -34.102 -9.749 18.159 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -34.960 -8.819 16.947 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -35.734 -11.568 17.979 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -36.514 -10.051 18.381 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -37.663 -12.456 17.195 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -38.365 -11.953 15.653 1.00 0.00 H new ATOM 1407 N GLU B 17 -31.485 -10.442 15.634 1.00 0.00 N ATOM 1408 CA GLU B 17 -30.128 -9.909 15.632 1.00 0.00 C ATOM 1409 C GLU B 17 -29.901 -8.926 14.484 1.00 0.00 C ATOM 1410 O GLU B 17 -29.789 -7.722 14.699 1.00 0.00 O ATOM 1411 CB GLU B 17 -29.141 -11.069 15.540 1.00 0.00 C ATOM 1412 CG GLU B 17 -27.682 -10.664 15.630 1.00 0.00 C ATOM 1413 CD GLU B 17 -26.765 -11.855 15.472 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -26.769 -12.731 16.359 1.00 0.00 O1- ATOM 1415 OE2 GLU B 17 -26.071 -11.945 14.438 1.00 0.00 O ATOM 0 H GLU B 17 -31.553 -11.408 15.315 1.00 0.00 H new ATOM 0 HA GLU B 17 -29.973 -9.357 16.559 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -29.358 -11.778 16.339 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -29.302 -11.592 14.597 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -27.460 -9.928 14.858 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -27.495 -10.185 16.591 1.00 0.00 H new ATOM 1422 N THR B 18 -29.857 -9.441 13.266 1.00 0.00 N ATOM 1423 CA THR B 18 -29.573 -8.622 12.099 1.00 0.00 C ATOM 1424 C THR B 18 -30.854 -8.096 11.458 1.00 0.00 C ATOM 1425 O THR B 18 -30.850 -7.649 10.314 1.00 0.00 O ATOM 1426 CB THR B 18 -28.768 -9.431 11.065 1.00 0.00 C ATOM 1427 OG1 THR B 18 -29.346 -10.737 10.924 1.00 0.00 O ATOM 1428 CG2 THR B 18 -27.307 -9.550 11.482 1.00 0.00 C ATOM 0 H THR B 18 -30.015 -10.427 13.059 1.00 0.00 H new ATOM 0 HA THR B 18 -28.984 -7.767 12.431 1.00 0.00 H new ATOM 0 HB THR B 18 -28.805 -8.909 10.109 1.00 0.00 H new ATOM 0 HG1 THR B 18 -28.835 -11.251 10.265 1.00 0.00 H new ATOM 0 HG21 THR B 18 -26.761 -10.126 10.735 1.00 0.00 H new ATOM 0 HG22 THR B 18 -26.870 -8.555 11.564 1.00 0.00 H new ATOM 0 HG23 THR B 18 -27.244 -10.055 12.446 1.00 0.00 H new ATOM 1436 N PHE B 19 -31.939 -8.114 12.224 1.00 0.00 N ATOM 1437 CA PHE B 19 -33.250 -7.714 11.724 1.00 0.00 C ATOM 1438 C PHE B 19 -33.229 -6.272 11.213 1.00 0.00 C ATOM 1439 O PHE B 19 -33.853 -5.952 10.202 1.00 0.00 O ATOM 1440 CB PHE B 19 -34.290 -7.871 12.835 1.00 0.00 C ATOM 1441 CG PHE B 19 -35.714 -7.702 12.381 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -36.389 -8.753 11.783 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -36.375 -6.497 12.550 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -37.699 -8.608 11.368 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -37.687 -6.345 12.136 1.00 0.00 C ATOM 1446 CZ PHE B 19 -38.348 -7.403 11.542 1.00 0.00 C ATOM 0 H PHE B 19 -31.936 -8.404 13.202 1.00 0.00 H new ATOM 0 HA PHE B 19 -33.515 -8.359 10.886 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -34.179 -8.858 13.283 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -34.082 -7.141 13.617 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -35.885 -9.698 11.639 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -35.861 -5.666 13.010 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -38.215 -9.438 10.908 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -38.193 -5.401 12.277 1.00 0.00 H new ATOM 0 HZ PHE B 19 -39.371 -7.287 11.215 1.00 0.00 H new ATOM 1456 N SER B 20 -32.488 -5.416 11.903 1.00 0.00 N ATOM 1457 CA SER B 20 -32.410 -4.004 11.548 1.00 0.00 C ATOM 1458 C SER B 20 -31.561 -3.783 10.294 1.00 0.00 C ATOM 1459 O SER B 20 -31.715 -2.779 9.601 1.00 0.00 O ATOM 1460 CB SER B 20 -31.824 -3.207 12.712 1.00 0.00 C ATOM 1461 OG SER B 20 -32.527 -3.471 13.917 1.00 0.00 O ATOM 0 H SER B 20 -31.929 -5.676 12.716 1.00 0.00 H new ATOM 0 HA SER B 20 -33.422 -3.658 11.335 1.00 0.00 H new ATOM 0 HB2 SER B 20 -30.772 -3.462 12.838 1.00 0.00 H new ATOM 0 HB3 SER B 20 -31.869 -2.142 12.487 1.00 0.00 H new ATOM 0 HG SER B 20 -32.132 -2.950 14.647 1.00 0.00 H new ATOM 1467 N ASP B 21 -30.671 -4.725 10.001 1.00 0.00 N ATOM 1468 CA ASP B 21 -29.756 -4.586 8.868 1.00 0.00 C ATOM 1469 C ASP B 21 -30.352 -5.191 7.606 1.00 0.00 C ATOM 1470 O ASP B 21 -29.847 -4.972 6.507 1.00 0.00 O ATOM 1471 CB ASP B 21 -28.406 -5.247 9.168 1.00 0.00 C ATOM 1472 CG ASP B 21 -27.623 -4.518 10.242 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -27.919 -4.717 11.438 1.00 0.00 O ATOM 1474 OD2 ASP B 21 -26.706 -3.740 9.897 1.00 0.00 O1- ATOM 0 H ASP B 21 -30.562 -5.591 10.529 1.00 0.00 H new ATOM 0 HA ASP B 21 -29.598 -3.520 8.706 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -28.573 -6.277 9.482 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -27.813 -5.284 8.254 1.00 0.00 H new ATOM 1479 N LEU B 22 -31.440 -5.933 7.772 1.00 0.00 N ATOM 1480 CA LEU B 22 -32.060 -6.650 6.661 1.00 0.00 C ATOM 1481 C LEU B 22 -32.570 -5.705 5.575 1.00 0.00 C ATOM 1482 O LEU B 22 -32.455 -6.004 4.387 1.00 0.00 O ATOM 1483 CB LEU B 22 -33.211 -7.526 7.161 1.00 0.00 C ATOM 1484 CG LEU B 22 -32.805 -8.666 8.095 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -34.031 -9.413 8.591 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -31.855 -9.621 7.388 1.00 0.00 C ATOM 0 H LEU B 22 -31.913 -6.055 8.667 1.00 0.00 H new ATOM 0 HA LEU B 22 -31.286 -7.279 6.221 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -33.930 -6.892 7.680 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -33.724 -7.950 6.298 1.00 0.00 H new ATOM 0 HG LEU B 22 -32.290 -8.237 8.955 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -33.721 -10.221 9.254 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -34.681 -8.726 9.134 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -34.572 -9.829 7.741 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -31.576 -10.426 8.068 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -32.347 -10.041 6.511 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -30.960 -9.081 7.079 1.00 0.00 H new ATOM 1498 N TRP B 23 -33.123 -4.565 5.974 1.00 0.00 N ATOM 1499 CA TRP B 23 -33.752 -3.660 5.015 1.00 0.00 C ATOM 1500 C TRP B 23 -32.774 -2.601 4.508 1.00 0.00 C ATOM 1501 O TRP B 23 -33.127 -1.780 3.662 1.00 0.00 O ATOM 1502 CB TRP B 23 -34.983 -2.984 5.634 1.00 0.00 C ATOM 1503 CG TRP B 23 -34.658 -2.031 6.747 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -34.529 -2.329 8.071 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -34.432 -0.622 6.627 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -34.228 -1.191 8.781 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -34.163 -0.130 7.915 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -34.427 0.272 5.553 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -33.895 1.214 8.157 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -34.158 1.602 5.793 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -33.894 2.064 7.085 1.00 0.00 C ATOM 0 H TRP B 23 -33.150 -4.247 6.943 1.00 0.00 H new ATOM 0 HA TRP B 23 -34.066 -4.262 4.162 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -35.521 -2.446 4.853 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -35.656 -3.753 6.012 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -34.646 -3.314 8.499 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -34.077 -1.144 9.789 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -34.631 -0.074 4.550 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -33.695 1.573 9.156 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -34.151 2.299 4.968 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -33.685 3.112 7.240 1.00 0.00 H new ATOM 1522 N LYS B 24 -31.536 -2.643 4.992 1.00 0.00 N ATOM 1523 CA LYS B 24 -30.540 -1.623 4.648 1.00 0.00 C ATOM 1524 C LYS B 24 -30.001 -1.807 3.228 1.00 0.00 C ATOM 1525 O LYS B 24 -28.939 -1.284 2.882 1.00 0.00 O ATOM 1526 CB LYS B 24 -29.389 -1.646 5.652 1.00 0.00 C ATOM 1527 CG LYS B 24 -29.791 -1.209 7.052 1.00 0.00 C ATOM 1528 CD LYS B 24 -28.638 -1.359 8.029 1.00 0.00 C ATOM 1529 CE LYS B 24 -29.059 -1.046 9.457 1.00 0.00 C ATOM 1530 NZ LYS B 24 -29.152 0.414 9.723 1.00 0.00 N1+ ATOM 0 H LYS B 24 -31.195 -3.369 5.622 1.00 0.00 H new ATOM 0 HA LYS B 24 -31.038 -0.654 4.690 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -28.980 -2.655 5.699 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -28.592 -0.995 5.293 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -30.120 -0.170 7.031 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -30.638 -1.804 7.392 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -28.251 -2.377 7.980 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -27.825 -0.694 7.736 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -30.025 -1.509 9.656 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -28.344 -1.492 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -29.442 0.569 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -28.225 0.856 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -29.854 0.839 9.085 1.00 0.00 H new ATOM 1544 N LEU B 25 -30.747 -2.532 2.406 1.00 0.00 N ATOM 1545 CA LEU B 25 -30.390 -2.725 1.010 1.00 0.00 C ATOM 1546 C LEU B 25 -30.811 -1.513 0.187 1.00 0.00 C ATOM 1547 O LEU B 25 -30.200 -1.201 -0.837 1.00 0.00 O ATOM 1548 CB LEU B 25 -31.048 -3.991 0.456 1.00 0.00 C ATOM 1549 CG LEU B 25 -30.623 -5.296 1.133 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -31.352 -6.477 0.516 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -29.117 -5.486 1.033 1.00 0.00 C ATOM 0 H LEU B 25 -31.610 -2.999 2.686 1.00 0.00 H new ATOM 0 HA LEU B 25 -29.308 -2.840 0.944 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -32.129 -3.889 0.547 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -30.823 -4.062 -0.608 1.00 0.00 H new ATOM 0 HG LEU B 25 -30.891 -5.239 2.188 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -31.038 -7.397 1.009 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -32.427 -6.347 0.641 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -31.115 -6.536 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -28.835 -6.419 1.520 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -28.824 -5.521 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -28.612 -4.654 1.523 1.00 0.00 H new ATOM 1563 N LEU B 26 -31.851 -0.828 0.647 1.00 0.00 N ATOM 1564 CA LEU B 26 -32.325 0.378 -0.015 1.00 0.00 C ATOM 1565 C LEU B 26 -31.732 1.611 0.658 1.00 0.00 C ATOM 1566 O LEU B 26 -31.513 1.621 1.873 1.00 0.00 O ATOM 1567 CB LEU B 26 -33.862 0.432 -0.026 1.00 0.00 C ATOM 1568 CG LEU B 26 -34.566 0.138 1.303 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -34.652 1.387 2.157 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -35.954 -0.432 1.051 1.00 0.00 C ATOM 0 H LEU B 26 -32.382 -1.089 1.478 1.00 0.00 H new ATOM 0 HA LEU B 26 -31.993 0.361 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -34.166 1.424 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -34.223 -0.280 -0.768 1.00 0.00 H new ATOM 0 HG LEU B 26 -33.978 -0.602 1.845 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -35.156 1.153 3.095 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -33.647 1.754 2.367 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -35.215 2.154 1.625 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -36.442 -0.636 2.004 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -36.546 0.288 0.487 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -35.869 -1.357 0.481 1.00 0.00 H new ATOM 1582 N PRO B 27 -31.440 2.663 -0.118 1.00 0.00 N ATOM 1583 CA PRO B 27 -30.758 3.837 0.394 1.00 0.00 C ATOM 1584 C PRO B 27 -31.686 4.821 1.103 1.00 0.00 C ATOM 1585 O PRO B 27 -32.290 5.696 0.478 1.00 0.00 O ATOM 1586 CB PRO B 27 -30.147 4.481 -0.864 1.00 0.00 C ATOM 1587 CG PRO B 27 -30.568 3.622 -2.021 1.00 0.00 C ATOM 1588 CD PRO B 27 -31.726 2.792 -1.544 1.00 0.00 C ATOM 0 HA PRO B 27 -30.025 3.564 1.153 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -30.502 5.504 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -29.061 4.528 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -30.857 4.236 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -29.746 2.986 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -32.682 3.283 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -31.766 1.823 -2.041 1.00 0.00 H new ATOM 1596 N GLU B 28 -31.783 4.648 2.413 1.00 0.00 N ATOM 1597 CA GLU B 28 -32.348 5.644 3.317 1.00 0.00 C ATOM 1598 C GLU B 28 -32.156 5.172 4.754 1.00 0.00 C ATOM 1599 O GLU B 28 -33.052 5.262 5.594 1.00 0.00 O ATOM 1600 CB GLU B 28 -33.834 5.906 3.031 1.00 0.00 C ATOM 1601 CG GLU B 28 -34.732 4.689 3.167 1.00 0.00 C ATOM 1602 CD GLU B 28 -36.196 5.058 3.098 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -36.768 5.433 4.141 1.00 0.00 O1- ATOM 1604 OE2 GLU B 28 -36.781 5.002 1.997 1.00 0.00 O ATOM 0 H GLU B 28 -31.468 3.801 2.886 1.00 0.00 H new ATOM 0 HA GLU B 28 -31.826 6.588 3.160 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -34.189 6.680 3.711 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -33.931 6.301 2.020 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -34.500 3.976 2.376 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -34.527 4.191 4.115 1.00 0.00 H new ATOM 1811 N LEU B 43 -4.280 -3.609 -3.985 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.855 -3.724 -2.647 1.00 0.00 C ATOM 1813 C LEU B 43 -4.098 -2.857 -1.640 1.00 0.00 C ATOM 1814 O LEU B 43 -4.696 -2.259 -0.746 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.835 -5.187 -2.177 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.184 -5.761 -1.720 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.018 -7.198 -1.238 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -6.792 -4.898 -0.624 1.00 0.00 C ATOM 0 HA LEU B 43 -5.886 -3.374 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.456 -5.805 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -4.127 -5.275 -1.353 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.863 -5.759 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.984 -7.588 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.630 -7.812 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -5.321 -7.223 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -7.747 -5.322 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -6.116 -4.865 0.230 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -6.949 -3.888 -1.002 1.00 0.00 H new ATOM 1830 N MET B 44 -2.779 -2.798 -1.778 1.00 0.00 N ATOM 1831 CA MET B 44 -1.951 -2.094 -0.806 1.00 0.00 C ATOM 1832 C MET B 44 -0.957 -1.150 -1.470 1.00 0.00 C ATOM 1833 O MET B 44 -1.118 0.069 -1.421 1.00 0.00 O ATOM 1834 CB MET B 44 -1.230 -3.109 0.078 1.00 0.00 C ATOM 1835 CG MET B 44 -2.040 -3.510 1.296 1.00 0.00 C ATOM 1836 SD MET B 44 -1.559 -5.104 1.985 1.00 0.00 S ATOM 1837 CE MET B 44 -2.298 -6.237 0.812 1.00 0.00 C ATOM 0 H MET B 44 -2.263 -3.225 -2.547 1.00 0.00 H new ATOM 0 HA MET B 44 -2.604 -1.475 -0.192 1.00 0.00 H new ATOM 0 HB2 MET B 44 -1.002 -3.998 -0.510 1.00 0.00 H new ATOM 0 HB3 MET B 44 -0.278 -2.689 0.403 1.00 0.00 H new ATOM 0 HG2 MET B 44 -1.931 -2.744 2.063 1.00 0.00 H new ATOM 0 HG3 MET B 44 -3.095 -3.543 1.026 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.810 -7.209 0.887 1.00 0.00 H new ATOM 0 HE2 MET B 44 -3.360 -6.347 1.032 1.00 0.00 H new ATOM 0 HE3 MET B 44 -2.175 -5.846 -0.198 1.00 0.00 H new ATOM 1847 N LEU B 45 0.057 -1.712 -2.105 1.00 0.00 N ATOM 1848 CA LEU B 45 1.080 -0.903 -2.752 1.00 0.00 C ATOM 1849 C LEU B 45 0.668 -0.603 -4.191 1.00 0.00 C ATOM 1850 O LEU B 45 0.735 -1.473 -5.054 1.00 0.00 O ATOM 1851 CB LEU B 45 2.458 -1.602 -2.699 1.00 0.00 C ATOM 1852 CG LEU B 45 3.045 -1.788 -1.288 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.480 -2.307 -1.331 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.993 -0.482 -0.527 1.00 0.00 C ATOM 0 H LEU B 45 0.195 -2.719 -2.187 1.00 0.00 H new ATOM 0 HA LEU B 45 1.174 0.040 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.369 -2.581 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.164 -1.024 -3.295 1.00 0.00 H new ATOM 0 HG LEU B 45 2.437 -2.535 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.855 -2.424 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.503 -3.271 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.108 -1.597 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.411 -0.625 0.470 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.573 0.272 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.958 -0.151 -0.443 1.00 0.00 H new ATOM 1866 N SER B 46 0.205 0.624 -4.425 1.00 0.00 N ATOM 1867 CA SER B 46 -0.247 1.049 -5.749 1.00 0.00 C ATOM 1868 C SER B 46 0.930 1.223 -6.710 1.00 0.00 C ATOM 1869 O SER B 46 1.725 2.156 -6.570 1.00 0.00 O ATOM 1870 CB SER B 46 -1.038 2.354 -5.638 1.00 0.00 C ATOM 1871 OG SER B 46 -2.238 2.159 -4.905 1.00 0.00 O ATOM 0 H SER B 46 0.133 1.346 -3.709 1.00 0.00 H new ATOM 0 HA SER B 46 -0.894 0.270 -6.152 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.428 3.113 -5.149 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.273 2.727 -6.635 1.00 0.00 H new ATOM 0 HG SER B 46 -2.726 3.007 -4.845 1.00 0.00 H new ATOM 1877 N PRO B 47 1.024 0.326 -7.713 1.00 0.00 N ATOM 1878 CA PRO B 47 2.159 0.236 -8.652 1.00 0.00 C ATOM 1879 C PRO B 47 2.611 1.572 -9.241 1.00 0.00 C ATOM 1880 O PRO B 47 3.802 1.777 -9.469 1.00 0.00 O ATOM 1881 CB PRO B 47 1.620 -0.675 -9.754 1.00 0.00 C ATOM 1882 CG PRO B 47 0.651 -1.558 -9.051 1.00 0.00 C ATOM 1883 CD PRO B 47 0.001 -0.697 -8.007 1.00 0.00 C ATOM 0 HA PRO B 47 3.051 -0.130 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO B 47 1.136 -0.101 -10.545 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.419 -1.251 -10.221 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -0.089 -1.958 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO B 47 1.156 -2.410 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -0.921 -0.247 -8.376 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.258 -1.272 -7.118 1.00 0.00 H new ATOM 1891 N ASP B 48 1.674 2.480 -9.466 1.00 0.00 N ATOM 1892 CA ASP B 48 1.985 3.742 -10.126 1.00 0.00 C ATOM 1893 C ASP B 48 2.806 4.664 -9.222 1.00 0.00 C ATOM 1894 O ASP B 48 3.767 5.286 -9.674 1.00 0.00 O ATOM 1895 CB ASP B 48 0.701 4.450 -10.577 1.00 0.00 C ATOM 1896 CG ASP B 48 -0.172 4.884 -9.417 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -0.717 4.005 -8.718 1.00 0.00 O1- ATOM 1898 OD2 ASP B 48 -0.304 6.107 -9.191 1.00 0.00 O ATOM 0 H ASP B 48 0.695 2.369 -9.203 1.00 0.00 H new ATOM 0 HA ASP B 48 2.587 3.510 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.964 5.323 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.132 3.782 -11.223 1.00 0.00 H new ATOM 1903 N ASP B 49 2.451 4.729 -7.945 1.00 0.00 N ATOM 1904 CA ASP B 49 3.095 5.670 -7.027 1.00 0.00 C ATOM 1905 C ASP B 49 4.275 5.026 -6.309 1.00 0.00 C ATOM 1906 O ASP B 49 5.273 5.684 -6.012 1.00 0.00 O ATOM 1907 CB ASP B 49 2.087 6.185 -5.999 1.00 0.00 C ATOM 1908 CG ASP B 49 2.633 7.341 -5.179 1.00 0.00 C ATOM 1909 OD1 ASP B 49 2.667 8.478 -5.700 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 3.029 7.123 -4.015 1.00 0.00 O ATOM 0 H ASP B 49 1.728 4.148 -7.521 1.00 0.00 H new ATOM 0 HA ASP B 49 3.468 6.506 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP B 49 1.180 6.504 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP B 49 1.806 5.371 -5.331 1.00 0.00 H new ATOM 1915 N ILE B 50 4.157 3.733 -6.044 1.00 0.00 N ATOM 1916 CA ILE B 50 5.182 2.998 -5.308 1.00 0.00 C ATOM 1917 C ILE B 50 6.405 2.752 -6.162 1.00 0.00 C ATOM 1918 O ILE B 50 7.474 2.448 -5.643 1.00 0.00 O ATOM 1919 CB ILE B 50 4.661 1.629 -4.849 1.00 0.00 C ATOM 1920 CG1 ILE B 50 4.345 0.756 -6.069 1.00 0.00 C ATOM 1921 CG2 ILE B 50 3.441 1.818 -3.980 1.00 0.00 C ATOM 1922 CD1 ILE B 50 3.777 -0.602 -5.732 1.00 0.00 C ATOM 0 H ILE B 50 3.358 3.166 -6.328 1.00 0.00 H new ATOM 0 HA ILE B 50 5.442 3.614 -4.447 1.00 0.00 H new ATOM 0 HB ILE B 50 5.426 1.122 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.636 1.285 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.257 0.621 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.072 0.845 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.705 2.416 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.664 2.329 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.582 -1.153 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.492 -1.154 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.846 -0.480 -5.178 1.00 0.00 H new ATOM 1934 N GLU B 51 6.224 2.888 -7.469 1.00 0.00 N ATOM 1935 CA GLU B 51 7.223 2.493 -8.449 1.00 0.00 C ATOM 1936 C GLU B 51 8.612 3.023 -8.102 1.00 0.00 C ATOM 1937 O GLU B 51 9.611 2.338 -8.288 1.00 0.00 O ATOM 1938 CB GLU B 51 6.802 2.991 -9.831 1.00 0.00 C ATOM 1939 CG GLU B 51 7.774 2.643 -10.942 1.00 0.00 C ATOM 1940 CD GLU B 51 7.362 3.244 -12.270 1.00 0.00 C ATOM 1941 OE1 GLU B 51 6.454 2.688 -12.923 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 7.927 4.286 -12.662 1.00 0.00 O ATOM 0 H GLU B 51 5.375 3.277 -7.880 1.00 0.00 H new ATOM 0 HA GLU B 51 7.284 1.405 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU B 51 5.826 2.572 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.683 4.074 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.769 2.999 -10.677 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.839 1.559 -11.040 1.00 0.00 H new ATOM 1949 N GLN B 52 8.648 4.237 -7.579 1.00 0.00 N ATOM 1950 CA GLN B 52 9.897 4.910 -7.234 1.00 0.00 C ATOM 1951 C GLN B 52 10.741 4.134 -6.204 1.00 0.00 C ATOM 1952 O GLN B 52 11.959 4.309 -6.153 1.00 0.00 O ATOM 1953 CB GLN B 52 9.604 6.329 -6.733 1.00 0.00 C ATOM 1954 CG GLN B 52 8.511 6.402 -5.678 1.00 0.00 C ATOM 1955 CD GLN B 52 8.191 7.823 -5.260 1.00 0.00 C ATOM 1956 OE1 GLN B 52 9.056 8.700 -5.264 1.00 0.00 O ATOM 1957 NE2 GLN B 52 6.935 8.058 -4.916 1.00 0.00 N ATOM 0 H GLN B 52 7.813 4.788 -7.380 1.00 0.00 H new ATOM 0 HA GLN B 52 10.495 4.957 -8.144 1.00 0.00 H new ATOM 0 HB2 GLN B 52 10.520 6.754 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN B 52 9.317 6.950 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.608 5.930 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.819 5.831 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.253 7.300 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN B 52 6.649 8.997 -4.639 1.00 0.00 H new ATOM 1966 N TRP B 53 10.115 3.292 -5.377 1.00 0.00 N ATOM 1967 CA TRP B 53 10.878 2.489 -4.417 1.00 0.00 C ATOM 1968 C TRP B 53 10.496 1.008 -4.431 1.00 0.00 C ATOM 1969 O TRP B 53 11.247 0.169 -3.928 1.00 0.00 O ATOM 1970 CB TRP B 53 10.765 3.037 -2.995 1.00 0.00 C ATOM 1971 CG TRP B 53 9.428 3.601 -2.663 1.00 0.00 C ATOM 1972 CD1 TRP B 53 9.064 4.908 -2.745 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.283 2.890 -2.181 1.00 0.00 C ATOM 1974 NE1 TRP B 53 7.760 5.055 -2.369 1.00 0.00 N ATOM 1975 CE2 TRP B 53 7.257 3.835 -2.010 1.00 0.00 C ATOM 1976 CE3 TRP B 53 8.023 1.549 -1.882 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 5.993 3.484 -1.552 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 6.766 1.203 -1.426 1.00 0.00 C ATOM 1979 CH2 TRP B 53 5.766 2.169 -1.266 1.00 0.00 C ATOM 0 H TRP B 53 9.105 3.150 -5.351 1.00 0.00 H new ATOM 0 HA TRP B 53 11.915 2.565 -4.744 1.00 0.00 H new ATOM 0 HB2 TRP B 53 10.995 2.238 -2.290 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.519 3.812 -2.855 1.00 0.00 H new ATOM 0 HD1 TRP B 53 9.712 5.712 -3.061 1.00 0.00 H new ATOM 0 HE1 TRP B 53 7.243 5.934 -2.358 1.00 0.00 H new ATOM 0 HE3 TRP B 53 8.790 0.799 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 5.218 4.225 -1.427 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 6.552 0.171 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP B 53 4.793 1.867 -0.908 1.00 0.00 H new ATOM 1990 N PHE B 54 9.329 0.680 -4.975 1.00 0.00 N ATOM 1991 CA PHE B 54 8.903 -0.714 -5.054 1.00 0.00 C ATOM 1992 C PHE B 54 9.627 -1.403 -6.195 1.00 0.00 C ATOM 1993 O PHE B 54 10.223 -2.468 -6.017 1.00 0.00 O ATOM 1994 CB PHE B 54 7.379 -0.824 -5.260 1.00 0.00 C ATOM 1995 CG PHE B 54 6.824 -2.240 -5.239 1.00 0.00 C ATOM 1996 CD1 PHE B 54 7.246 -3.186 -6.163 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.868 -2.620 -4.301 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.737 -4.471 -6.154 1.00 0.00 C ATOM 1999 CE2 PHE B 54 5.356 -3.905 -4.296 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.792 -4.829 -5.220 1.00 0.00 C ATOM 0 H PHE B 54 8.667 1.351 -5.364 1.00 0.00 H new ATOM 0 HA PHE B 54 9.152 -1.201 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.881 -0.244 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE B 54 7.123 -0.365 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE B 54 7.985 -2.913 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.523 -1.904 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE B 54 7.081 -5.194 -6.879 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.612 -4.185 -3.565 1.00 0.00 H new ATOM 0 HZ PHE B 54 5.393 -5.833 -5.211 1.00 0.00 H new