USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 759 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 131 TYR OH : rot 180:sc= -0.0704 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= -0.162 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -4.25! C(o=-4.4!,f=-2.4!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.434 USER MOD Single : A 22 SER OG : rot 42:sc= -3.79! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -54:sc= 0.00098 USER MOD Single : A 37 ASN : amide:sc= -4.73! C(o=-4.7!,f=-3.6!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 43 SER OG : rot 180:sc= -0.12 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 145:sc= 0.744 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 130:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.61! K(o=-3.6!,f=-0.72) USER MOD Single : A 85 SER OG : rot -25:sc= 0.419 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.031) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.02 USER MOD Single : A 107 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 110 SER OG : rot -102:sc= 0.0702 USER MOD Single : A 112 SER OG : rot -51:sc= 0.251 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -37:sc= 1.07 USER MOD Single : A 121 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0492) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0166 K(o=-0.017,f=-2!) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.813 15.740 1.016 1.00 0.00 N ATOM 81 CA SER A 6 -5.913 14.885 1.842 1.00 0.00 C ATOM 82 C SER A 6 -6.654 14.464 3.115 1.00 0.00 C ATOM 83 O SER A 6 -7.445 15.213 3.650 1.00 0.00 O ATOM 84 CB SER A 6 -4.657 15.677 2.215 1.00 0.00 C ATOM 85 OG SER A 6 -4.871 16.338 3.455 1.00 0.00 O ATOM 0 HA SER A 6 -5.623 13.999 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.800 15.008 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.427 16.405 1.437 1.00 0.00 H new ATOM 0 HG SER A 6 -4.068 16.845 3.698 1.00 0.00 H new ATOM 91 N LYS A 7 -6.412 13.273 3.601 1.00 0.00 N ATOM 92 CA LYS A 7 -7.117 12.812 4.839 1.00 0.00 C ATOM 93 C LYS A 7 -6.096 12.545 5.947 1.00 0.00 C ATOM 94 O LYS A 7 -5.154 11.804 5.770 1.00 0.00 O ATOM 95 CB LYS A 7 -7.884 11.523 4.536 1.00 0.00 C ATOM 96 CG LYS A 7 -8.876 11.760 3.383 1.00 0.00 C ATOM 97 CD LYS A 7 -10.305 11.871 3.928 1.00 0.00 C ATOM 98 CE LYS A 7 -10.425 13.114 4.811 1.00 0.00 C ATOM 99 NZ LYS A 7 -11.866 13.440 5.013 1.00 0.00 N ATOM 0 H LYS A 7 -5.760 12.601 3.197 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.812 13.585 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.186 10.729 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.420 11.191 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.611 12.672 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.815 10.941 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.015 11.929 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.556 10.979 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.942 12.939 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.912 13.955 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.950 14.285 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.313 13.624 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.342 12.639 5.475 1.00 0.00 H new ATOM 113 N ALA A 8 -6.273 13.144 7.093 1.00 0.00 N ATOM 114 CA ALA A 8 -5.308 12.919 8.206 1.00 0.00 C ATOM 115 C ALA A 8 -5.678 11.642 8.962 1.00 0.00 C ATOM 116 O ALA A 8 -6.837 11.346 9.172 1.00 0.00 O ATOM 117 CB ALA A 8 -5.343 14.106 9.168 1.00 0.00 C ATOM 0 H ALA A 8 -7.043 13.778 7.306 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.305 12.817 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.636 13.937 9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.071 15.016 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.347 14.213 9.578 1.00 0.00 H new ATOM 123 N TYR A 9 -4.698 10.885 9.371 1.00 0.00 N ATOM 124 CA TYR A 9 -4.981 9.628 10.117 1.00 0.00 C ATOM 125 C TYR A 9 -3.793 9.311 11.027 1.00 0.00 C ATOM 126 O TYR A 9 -2.654 9.334 10.606 1.00 0.00 O ATOM 127 CB TYR A 9 -5.191 8.480 9.125 1.00 0.00 C ATOM 128 CG TYR A 9 -5.937 7.354 9.802 1.00 0.00 C ATOM 129 CD1 TYR A 9 -5.229 6.343 10.463 1.00 0.00 C ATOM 130 CD2 TYR A 9 -7.336 7.320 9.767 1.00 0.00 C ATOM 131 CE1 TYR A 9 -5.920 5.300 11.091 1.00 0.00 C ATOM 132 CE2 TYR A 9 -8.028 6.276 10.394 1.00 0.00 C ATOM 133 CZ TYR A 9 -7.320 5.265 11.057 1.00 0.00 C ATOM 134 OH TYR A 9 -8.001 4.238 11.674 1.00 0.00 O ATOM 0 H TYR A 9 -3.709 11.084 9.220 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.882 9.750 10.718 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.752 8.832 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.229 8.123 8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.150 6.368 10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.882 8.099 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.373 4.522 11.602 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.107 6.250 10.366 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.965 4.367 11.556 1.00 0.00 H new ATOM 144 N GLY A 10 -4.044 9.023 12.273 1.00 0.00 N ATOM 145 CA GLY A 10 -2.921 8.714 13.202 1.00 0.00 C ATOM 146 C GLY A 10 -2.191 10.010 13.557 1.00 0.00 C ATOM 147 O GLY A 10 -2.232 10.467 14.682 1.00 0.00 O ATOM 0 H GLY A 10 -4.975 8.988 12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.301 8.238 14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.231 8.010 12.736 1.00 0.00 H new ATOM 151 N SER A 11 -1.524 10.610 12.607 1.00 0.00 N ATOM 152 CA SER A 11 -0.794 11.879 12.895 1.00 0.00 C ATOM 153 C SER A 11 -0.067 12.361 11.634 1.00 0.00 C ATOM 154 O SER A 11 0.939 13.037 11.712 1.00 0.00 O ATOM 155 CB SER A 11 0.226 11.636 14.010 1.00 0.00 C ATOM 156 OG SER A 11 0.816 10.355 13.836 1.00 0.00 O ATOM 0 H SER A 11 -1.453 10.277 11.646 1.00 0.00 H new ATOM 0 HA SER A 11 -1.508 12.640 13.209 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.995 12.409 13.990 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.261 11.696 14.983 1.00 0.00 H new ATOM 0 HG SER A 11 1.471 10.197 14.548 1.00 0.00 H new ATOM 162 N HIS A 12 -0.565 12.023 10.473 1.00 0.00 N ATOM 163 CA HIS A 12 0.099 12.466 9.219 1.00 0.00 C ATOM 164 C HIS A 12 -0.973 12.758 8.166 1.00 0.00 C ATOM 165 O HIS A 12 -2.050 12.198 8.196 1.00 0.00 O ATOM 166 CB HIS A 12 1.016 11.352 8.710 1.00 0.00 C ATOM 167 CG HIS A 12 1.918 10.883 9.820 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.285 11.101 9.799 1.00 0.00 N ATOM 169 CD2 HIS A 12 1.664 10.201 10.983 1.00 0.00 C ATOM 170 CE1 HIS A 12 3.799 10.560 10.919 1.00 0.00 C ATOM 171 NE2 HIS A 12 2.854 9.997 11.677 1.00 0.00 N ATOM 0 H HIS A 12 -1.404 11.458 10.343 1.00 0.00 H new ATOM 0 HA HIS A 12 0.687 13.364 9.409 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.419 10.519 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.613 11.715 7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.689 9.872 11.311 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.848 10.579 11.174 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.977 9.521 12.571 1.00 0.00 H new ATOM 179 N CYS A 13 -0.687 13.623 7.233 1.00 0.00 N ATOM 180 CA CYS A 13 -1.694 13.936 6.183 1.00 0.00 C ATOM 181 C CYS A 13 -1.563 12.922 5.048 1.00 0.00 C ATOM 182 O CYS A 13 -0.493 12.717 4.511 1.00 0.00 O ATOM 183 CB CYS A 13 -1.447 15.340 5.628 1.00 0.00 C ATOM 184 SG CYS A 13 -1.330 16.530 6.988 1.00 0.00 S ATOM 0 H CYS A 13 0.197 14.125 7.153 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.693 13.889 6.616 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.528 15.352 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.257 15.622 4.955 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.118 17.719 6.507 1.00 0.00 H new ATOM 189 N TYR A 14 -2.641 12.282 4.676 1.00 0.00 N ATOM 190 CA TYR A 14 -2.566 11.280 3.576 1.00 0.00 C ATOM 191 C TYR A 14 -3.017 11.930 2.270 1.00 0.00 C ATOM 192 O TYR A 14 -3.973 12.679 2.239 1.00 0.00 O ATOM 193 CB TYR A 14 -3.475 10.090 3.892 1.00 0.00 C ATOM 194 CG TYR A 14 -2.891 9.294 5.037 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.794 9.865 6.313 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.446 7.984 4.823 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.251 9.126 7.370 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.904 7.246 5.881 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.807 7.817 7.156 1.00 0.00 C ATOM 200 OH TYR A 14 -1.273 7.089 8.199 1.00 0.00 O ATOM 0 H TYR A 14 -3.566 12.410 5.086 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.539 10.929 3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.473 10.441 4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.580 9.456 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.138 10.875 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.521 7.543 3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.175 9.567 8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.560 6.236 5.714 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.015 6.199 7.879 1.00 0.00 H new ATOM 210 N ALA A 15 -2.337 11.652 1.191 1.00 0.00 N ATOM 211 CA ALA A 15 -2.727 12.256 -0.115 1.00 0.00 C ATOM 212 C ALA A 15 -2.665 11.195 -1.213 1.00 0.00 C ATOM 213 O ALA A 15 -1.750 10.399 -1.276 1.00 0.00 O ATOM 214 CB ALA A 15 -1.767 13.399 -0.455 1.00 0.00 C ATOM 0 H ALA A 15 -1.528 11.032 1.157 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.744 12.642 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.051 13.841 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.815 14.159 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.750 13.012 -0.523 1.00 0.00 H new ATOM 220 N LEU A 16 -3.638 11.185 -2.081 1.00 0.00 N ATOM 221 CA LEU A 16 -3.659 10.186 -3.185 1.00 0.00 C ATOM 222 C LEU A 16 -3.103 10.836 -4.456 1.00 0.00 C ATOM 223 O LEU A 16 -3.577 11.866 -4.894 1.00 0.00 O ATOM 224 CB LEU A 16 -5.114 9.738 -3.408 1.00 0.00 C ATOM 225 CG LEU A 16 -5.288 9.128 -4.803 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.352 7.929 -4.967 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.737 8.664 -4.973 1.00 0.00 C ATOM 0 H LEU A 16 -4.426 11.832 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.047 9.320 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.395 9.008 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.783 10.590 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.047 9.878 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.481 7.500 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.319 8.254 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.588 7.177 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.866 8.229 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.971 7.916 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.407 9.516 -4.861 1.00 0.00 H new ATOM 239 N PHE A 17 -2.114 10.231 -5.060 1.00 0.00 N ATOM 240 CA PHE A 17 -1.536 10.788 -6.307 1.00 0.00 C ATOM 241 C PHE A 17 -1.792 9.785 -7.424 1.00 0.00 C ATOM 242 O PHE A 17 -1.317 8.667 -7.391 1.00 0.00 O ATOM 243 CB PHE A 17 -0.030 10.992 -6.129 1.00 0.00 C ATOM 244 CG PHE A 17 0.217 12.221 -5.286 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.103 13.495 -5.856 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.557 12.088 -3.935 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.329 14.634 -5.075 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.783 13.227 -3.154 1.00 0.00 C ATOM 249 CZ PHE A 17 0.669 14.500 -3.724 1.00 0.00 C ATOM 0 H PHE A 17 -1.681 9.366 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.991 11.749 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.412 10.117 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.450 11.103 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.159 13.599 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.645 11.106 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.241 15.616 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.045 13.124 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.843 15.379 -3.121 1.00 0.00 H new ATOM 259 N LEU A 18 -2.543 10.168 -8.411 1.00 0.00 N ATOM 260 CA LEU A 18 -2.830 9.231 -9.522 1.00 0.00 C ATOM 261 C LEU A 18 -1.563 9.073 -10.337 1.00 0.00 C ATOM 262 O LEU A 18 -1.569 8.554 -11.435 1.00 0.00 O ATOM 263 CB LEU A 18 -3.956 9.787 -10.398 1.00 0.00 C ATOM 264 CG LEU A 18 -5.102 10.290 -9.511 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.362 10.469 -10.360 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.383 9.273 -8.399 1.00 0.00 C ATOM 0 H LEU A 18 -2.971 11.090 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.150 8.265 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.579 10.601 -11.018 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.320 9.013 -11.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.819 11.244 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.177 10.826 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.168 11.195 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.640 9.514 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.198 9.635 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.663 8.317 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.488 9.142 -7.791 1.00 0.00 H new ATOM 278 N SER A 19 -0.466 9.521 -9.797 1.00 0.00 N ATOM 279 CA SER A 19 0.817 9.394 -10.543 1.00 0.00 C ATOM 280 C SER A 19 1.438 8.017 -10.261 1.00 0.00 C ATOM 281 O SER A 19 1.716 7.683 -9.127 1.00 0.00 O ATOM 282 CB SER A 19 1.796 10.484 -10.110 1.00 0.00 C ATOM 283 OG SER A 19 1.113 11.445 -9.317 1.00 0.00 O ATOM 0 H SER A 19 -0.400 9.965 -8.881 1.00 0.00 H new ATOM 0 HA SER A 19 0.615 9.501 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.617 10.046 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.234 10.964 -10.986 1.00 0.00 H new ATOM 0 HG SER A 19 1.741 12.144 -9.037 1.00 0.00 H new ATOM 289 N PRO A 20 1.659 7.224 -11.280 1.00 0.00 N ATOM 290 CA PRO A 20 2.263 5.874 -11.091 1.00 0.00 C ATOM 291 C PRO A 20 3.684 5.951 -10.514 1.00 0.00 C ATOM 292 O PRO A 20 4.425 6.868 -10.801 1.00 0.00 O ATOM 293 CB PRO A 20 2.291 5.319 -12.518 1.00 0.00 C ATOM 294 CG PRO A 20 1.726 6.377 -13.477 1.00 0.00 C ATOM 295 CD PRO A 20 1.322 7.610 -12.675 1.00 0.00 C ATOM 0 HA PRO A 20 1.705 5.260 -10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.311 5.060 -12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.702 4.404 -12.578 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.472 6.643 -14.226 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.865 5.978 -14.013 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.871 8.496 -12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.261 7.835 -12.787 1.00 0.00 H new ATOM 303 N LYS A 21 4.078 4.990 -9.715 1.00 0.00 N ATOM 304 CA LYS A 21 5.457 5.021 -9.139 1.00 0.00 C ATOM 305 C LYS A 21 5.833 3.624 -8.637 1.00 0.00 C ATOM 306 O LYS A 21 5.115 3.022 -7.869 1.00 0.00 O ATOM 307 CB LYS A 21 5.501 6.008 -7.962 1.00 0.00 C ATOM 308 CG LYS A 21 5.850 7.419 -8.456 1.00 0.00 C ATOM 309 CD LYS A 21 6.359 8.257 -7.280 1.00 0.00 C ATOM 310 CE LYS A 21 6.484 9.720 -7.711 1.00 0.00 C ATOM 311 NZ LYS A 21 7.133 10.505 -6.624 1.00 0.00 N ATOM 0 H LYS A 21 3.508 4.191 -9.438 1.00 0.00 H new ATOM 0 HA LYS A 21 6.161 5.337 -9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.536 6.022 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.240 5.679 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.610 7.366 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.972 7.889 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.674 8.173 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.326 7.882 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.072 9.792 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.499 10.130 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.218 11.499 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.555 10.446 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.079 10.118 -6.434 1.00 0.00 H new ATOM 325 N SER A 22 6.960 3.106 -9.049 1.00 0.00 N ATOM 326 CA SER A 22 7.368 1.753 -8.572 1.00 0.00 C ATOM 327 C SER A 22 7.218 1.693 -7.054 1.00 0.00 C ATOM 328 O SER A 22 7.330 2.693 -6.372 1.00 0.00 O ATOM 329 CB SER A 22 8.825 1.492 -8.947 1.00 0.00 C ATOM 330 OG SER A 22 9.307 0.388 -8.195 1.00 0.00 O ATOM 0 H SER A 22 7.611 3.558 -9.691 1.00 0.00 H new ATOM 0 HA SER A 22 6.736 0.997 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.908 1.285 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.429 2.377 -8.746 1.00 0.00 H new ATOM 0 HG SER A 22 8.619 -0.309 -8.160 1.00 0.00 H new ATOM 336 N TRP A 23 6.980 0.533 -6.510 1.00 0.00 N ATOM 337 CA TRP A 23 6.838 0.433 -5.033 1.00 0.00 C ATOM 338 C TRP A 23 8.134 0.926 -4.405 1.00 0.00 C ATOM 339 O TRP A 23 8.185 1.312 -3.255 1.00 0.00 O ATOM 340 CB TRP A 23 6.597 -1.025 -4.632 1.00 0.00 C ATOM 341 CG TRP A 23 6.623 -1.147 -3.141 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.541 -1.046 -2.336 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.763 -1.389 -2.268 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.944 -1.211 -1.023 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.305 -1.426 -0.930 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.137 -1.578 -2.504 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.178 -1.642 0.137 1.00 0.00 C ATOM 348 CZ3 TRP A 23 10.019 -1.796 -1.433 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.540 -1.829 -0.115 1.00 0.00 C ATOM 0 H TRP A 23 6.878 -0.344 -7.021 1.00 0.00 H new ATOM 0 HA TRP A 23 5.994 1.033 -4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.636 -1.365 -5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.362 -1.665 -5.073 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.528 -0.866 -2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.313 -1.178 -0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.516 -1.555 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.804 -1.665 1.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.072 -1.939 -1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.223 -1.999 0.704 1.00 0.00 H new ATOM 360 N THR A 24 9.185 0.923 -5.173 1.00 0.00 N ATOM 361 CA THR A 24 10.502 1.389 -4.660 1.00 0.00 C ATOM 362 C THR A 24 10.661 2.874 -4.979 1.00 0.00 C ATOM 363 O THR A 24 11.476 3.569 -4.407 1.00 0.00 O ATOM 364 CB THR A 24 11.616 0.584 -5.342 1.00 0.00 C ATOM 365 OG1 THR A 24 12.821 0.733 -4.605 1.00 0.00 O ATOM 366 CG2 THR A 24 11.825 1.084 -6.777 1.00 0.00 C ATOM 0 H THR A 24 9.188 0.614 -6.145 1.00 0.00 H new ATOM 0 HA THR A 24 10.561 1.244 -3.581 1.00 0.00 H new ATOM 0 HB THR A 24 11.331 -0.468 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.535 0.219 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.618 0.506 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.901 0.965 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.105 2.137 -6.758 1.00 0.00 H new ATOM 374 N ASP A 25 9.884 3.350 -5.905 1.00 0.00 N ATOM 375 CA ASP A 25 9.964 4.784 -6.302 1.00 0.00 C ATOM 376 C ASP A 25 9.059 5.611 -5.398 1.00 0.00 C ATOM 377 O ASP A 25 9.441 6.661 -4.918 1.00 0.00 O ATOM 378 CB ASP A 25 9.510 4.937 -7.752 1.00 0.00 C ATOM 379 CG ASP A 25 9.398 6.423 -8.102 1.00 0.00 C ATOM 380 OD1 ASP A 25 9.826 7.236 -7.299 1.00 0.00 O ATOM 381 OD2 ASP A 25 8.888 6.723 -9.169 1.00 0.00 O ATOM 0 H ASP A 25 9.188 2.803 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 25 10.993 5.131 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.220 4.449 -8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.548 4.446 -7.896 1.00 0.00 H new ATOM 386 N ALA A 26 7.868 5.145 -5.139 1.00 0.00 N ATOM 387 CA ALA A 26 6.973 5.913 -4.249 1.00 0.00 C ATOM 388 C ALA A 26 7.477 5.715 -2.829 1.00 0.00 C ATOM 389 O ALA A 26 7.363 6.578 -1.986 1.00 0.00 O ATOM 390 CB ALA A 26 5.545 5.397 -4.385 1.00 0.00 C ATOM 0 H ALA A 26 7.485 4.273 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 26 6.972 6.972 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.888 5.966 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.213 5.512 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.511 4.343 -4.109 1.00 0.00 H new ATOM 396 N ASP A 27 8.049 4.574 -2.567 1.00 0.00 N ATOM 397 CA ASP A 27 8.586 4.307 -1.213 1.00 0.00 C ATOM 398 C ASP A 27 9.707 5.305 -0.905 1.00 0.00 C ATOM 399 O ASP A 27 9.802 5.830 0.185 1.00 0.00 O ATOM 400 CB ASP A 27 9.144 2.885 -1.186 1.00 0.00 C ATOM 401 CG ASP A 27 9.935 2.661 0.104 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.440 3.042 1.153 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.022 2.114 0.022 1.00 0.00 O ATOM 0 H ASP A 27 8.166 3.814 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 27 7.798 4.413 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.329 2.164 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.787 2.721 -2.051 1.00 0.00 H new ATOM 408 N LEU A 28 10.558 5.564 -1.860 1.00 0.00 N ATOM 409 CA LEU A 28 11.676 6.522 -1.626 1.00 0.00 C ATOM 410 C LEU A 28 11.134 7.955 -1.584 1.00 0.00 C ATOM 411 O LEU A 28 11.433 8.715 -0.685 1.00 0.00 O ATOM 412 CB LEU A 28 12.702 6.391 -2.763 1.00 0.00 C ATOM 413 CG LEU A 28 13.827 5.421 -2.363 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.740 6.073 -1.314 1.00 0.00 C ATOM 415 CD2 LEU A 28 13.225 4.129 -1.791 1.00 0.00 C ATOM 0 H LEU A 28 10.527 5.153 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 28 12.154 6.295 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.209 6.033 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.123 7.369 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 28 14.416 5.183 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.532 5.377 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.181 6.980 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.155 6.326 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.027 3.447 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.625 4.365 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.595 3.657 -2.544 1.00 0.00 H new ATOM 427 N ALA A 29 10.347 8.335 -2.552 1.00 0.00 N ATOM 428 CA ALA A 29 9.800 9.721 -2.566 1.00 0.00 C ATOM 429 C ALA A 29 8.932 9.950 -1.328 1.00 0.00 C ATOM 430 O ALA A 29 9.105 10.914 -0.612 1.00 0.00 O ATOM 431 CB ALA A 29 8.955 9.926 -3.821 1.00 0.00 C ATOM 0 H ALA A 29 10.059 7.746 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 29 10.628 10.430 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.556 10.940 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.574 9.772 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.131 9.212 -3.826 1.00 0.00 H new ATOM 437 N CYS A 30 7.999 9.078 -1.065 1.00 0.00 N ATOM 438 CA CYS A 30 7.143 9.270 0.129 1.00 0.00 C ATOM 439 C CYS A 30 8.023 9.179 1.373 1.00 0.00 C ATOM 440 O CYS A 30 7.702 9.716 2.412 1.00 0.00 O ATOM 441 CB CYS A 30 6.058 8.197 0.151 1.00 0.00 C ATOM 442 SG CYS A 30 4.987 8.432 -1.289 1.00 0.00 S ATOM 0 H CYS A 30 7.796 8.248 -1.623 1.00 0.00 H new ATOM 0 HA CYS A 30 6.658 10.246 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.507 7.204 0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.477 8.265 1.070 1.00 0.00 H new ATOM 447 N GLN A 31 9.151 8.534 1.264 1.00 0.00 N ATOM 448 CA GLN A 31 10.065 8.452 2.433 1.00 0.00 C ATOM 449 C GLN A 31 10.784 9.792 2.558 1.00 0.00 C ATOM 450 O GLN A 31 11.192 10.199 3.627 1.00 0.00 O ATOM 451 CB GLN A 31 11.090 7.332 2.222 1.00 0.00 C ATOM 452 CG GLN A 31 12.169 7.414 3.305 1.00 0.00 C ATOM 453 CD GLN A 31 12.949 6.099 3.350 1.00 0.00 C ATOM 454 OE1 GLN A 31 13.800 5.854 2.519 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.690 5.235 4.294 1.00 0.00 N ATOM 0 H GLN A 31 9.477 8.063 0.420 1.00 0.00 H new ATOM 0 HA GLN A 31 9.500 8.234 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.596 6.361 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.543 7.421 1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.845 8.243 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.712 7.611 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.975 5.441 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.203 4.354 4.334 1.00 0.00 H new ATOM 464 N LYS A 32 10.926 10.486 1.460 1.00 0.00 N ATOM 465 CA LYS A 32 11.597 11.806 1.490 1.00 0.00 C ATOM 466 C LYS A 32 10.651 12.829 2.124 1.00 0.00 C ATOM 467 O LYS A 32 11.043 13.926 2.467 1.00 0.00 O ATOM 468 CB LYS A 32 11.949 12.228 0.060 1.00 0.00 C ATOM 469 CG LYS A 32 12.342 13.707 0.036 1.00 0.00 C ATOM 470 CD LYS A 32 13.067 14.031 -1.276 1.00 0.00 C ATOM 471 CE LYS A 32 14.442 13.351 -1.303 1.00 0.00 C ATOM 472 NZ LYS A 32 15.397 14.202 -2.067 1.00 0.00 N ATOM 0 H LYS A 32 10.602 10.188 0.540 1.00 0.00 H new ATOM 0 HA LYS A 32 12.513 11.749 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.770 11.618 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.097 12.058 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.453 14.330 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.987 13.935 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.470 13.694 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.185 15.110 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.805 13.199 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.365 12.367 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.330 13.744 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.051 14.325 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.478 15.132 -1.608 1.00 0.00 H new ATOM 486 N ARG A 33 9.405 12.470 2.285 1.00 0.00 N ATOM 487 CA ARG A 33 8.423 13.408 2.899 1.00 0.00 C ATOM 488 C ARG A 33 8.638 13.434 4.412 1.00 0.00 C ATOM 489 O ARG A 33 9.214 12.522 4.969 1.00 0.00 O ATOM 490 CB ARG A 33 7.001 12.925 2.577 1.00 0.00 C ATOM 491 CG ARG A 33 6.480 13.635 1.320 1.00 0.00 C ATOM 492 CD ARG A 33 5.163 12.994 0.869 1.00 0.00 C ATOM 493 NE ARG A 33 4.294 14.034 0.247 1.00 0.00 N ATOM 494 CZ ARG A 33 4.587 14.510 -0.932 1.00 0.00 C ATOM 495 NH1 ARG A 33 5.752 15.056 -1.144 1.00 0.00 N ATOM 496 NH2 ARG A 33 3.712 14.440 -1.899 1.00 0.00 N ATOM 0 H ARG A 33 9.024 11.563 2.016 1.00 0.00 H new ATOM 0 HA ARG A 33 8.560 14.413 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.000 11.846 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.340 13.127 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.327 14.694 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.219 13.569 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.361 12.195 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.655 12.542 1.721 1.00 0.00 H new ATOM 0 HE ARG A 33 3.470 14.373 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.435 15.111 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.981 15.428 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.801 14.014 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.940 14.812 -2.821 1.00 0.00 H new ATOM 510 N PRO A 34 8.179 14.466 5.079 1.00 0.00 N ATOM 511 CA PRO A 34 8.342 14.561 6.552 1.00 0.00 C ATOM 512 C PRO A 34 7.944 13.255 7.240 1.00 0.00 C ATOM 513 O PRO A 34 6.853 13.108 7.754 1.00 0.00 O ATOM 514 CB PRO A 34 7.400 15.720 6.915 1.00 0.00 C ATOM 515 CG PRO A 34 6.756 16.249 5.621 1.00 0.00 C ATOM 516 CD PRO A 34 7.466 15.596 4.430 1.00 0.00 C ATOM 0 HA PRO A 34 9.370 14.733 6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.631 15.380 7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.953 16.515 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.691 16.015 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.845 17.334 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.761 15.253 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.154 16.284 3.937 1.00 0.00 H new ATOM 524 N SER A 35 8.827 12.295 7.231 1.00 0.00 N ATOM 525 CA SER A 35 8.518 10.985 7.854 1.00 0.00 C ATOM 526 C SER A 35 7.399 10.308 7.064 1.00 0.00 C ATOM 527 O SER A 35 6.726 9.425 7.556 1.00 0.00 O ATOM 528 CB SER A 35 8.081 11.191 9.307 1.00 0.00 C ATOM 529 OG SER A 35 8.353 10.012 10.051 1.00 0.00 O ATOM 0 H SER A 35 9.755 12.366 6.815 1.00 0.00 H new ATOM 0 HA SER A 35 9.407 10.354 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.611 12.039 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.017 11.424 9.349 1.00 0.00 H new ATOM 0 HG SER A 35 7.938 9.243 9.608 1.00 0.00 H new ATOM 535 N GLY A 36 7.190 10.719 5.840 1.00 0.00 N ATOM 536 CA GLY A 36 6.108 10.094 5.031 1.00 0.00 C ATOM 537 C GLY A 36 6.577 8.747 4.475 1.00 0.00 C ATOM 538 O GLY A 36 7.678 8.308 4.733 1.00 0.00 O ATOM 0 H GLY A 36 7.718 11.455 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.219 9.953 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.827 10.756 4.212 1.00 0.00 H new ATOM 542 N ASN A 37 5.739 8.086 3.716 1.00 0.00 N ATOM 543 CA ASN A 37 6.115 6.758 3.137 1.00 0.00 C ATOM 544 C ASN A 37 4.843 6.067 2.634 1.00 0.00 C ATOM 545 O ASN A 37 3.793 6.203 3.231 1.00 0.00 O ATOM 546 CB ASN A 37 6.766 5.888 4.225 1.00 0.00 C ATOM 547 CG ASN A 37 8.276 5.796 3.989 1.00 0.00 C ATOM 548 OD1 ASN A 37 9.053 6.406 4.695 1.00 0.00 O ATOM 549 ND2 ASN A 37 8.726 5.048 3.017 1.00 0.00 N ATOM 0 H ASN A 37 4.804 8.411 3.471 1.00 0.00 H new ATOM 0 HA ASN A 37 6.819 6.897 2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.569 6.314 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.327 4.890 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.730 4.977 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.073 4.535 2.424 1.00 0.00 H new ATOM 556 N LEU A 38 4.924 5.331 1.547 1.00 0.00 N ATOM 557 CA LEU A 38 3.711 4.627 1.022 1.00 0.00 C ATOM 558 C LEU A 38 2.698 4.392 2.155 1.00 0.00 C ATOM 559 O LEU A 38 3.053 4.006 3.252 1.00 0.00 O ATOM 560 CB LEU A 38 4.129 3.286 0.421 1.00 0.00 C ATOM 561 CG LEU A 38 4.837 3.515 -0.917 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.574 2.241 -1.338 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.807 3.876 -1.988 1.00 0.00 C ATOM 0 H LEU A 38 5.776 5.189 1.004 1.00 0.00 H new ATOM 0 HA LEU A 38 3.242 5.245 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.792 2.760 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.253 2.653 0.276 1.00 0.00 H new ATOM 0 HG LEU A 38 5.552 4.330 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.076 2.409 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.312 1.980 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.859 1.425 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.313 4.039 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.090 3.061 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.282 4.786 -1.696 1.00 0.00 H new ATOM 575 N VAL A 39 1.446 4.646 1.890 1.00 0.00 N ATOM 576 CA VAL A 39 0.376 4.475 2.926 1.00 0.00 C ATOM 577 C VAL A 39 0.680 3.303 3.868 1.00 0.00 C ATOM 578 O VAL A 39 1.356 2.359 3.514 1.00 0.00 O ATOM 579 CB VAL A 39 -0.959 4.220 2.219 1.00 0.00 C ATOM 580 CG1 VAL A 39 -1.008 2.777 1.713 1.00 0.00 C ATOM 581 CG2 VAL A 39 -2.124 4.468 3.193 1.00 0.00 C ATOM 0 H VAL A 39 1.109 4.971 0.984 1.00 0.00 H new ATOM 0 HA VAL A 39 0.331 5.384 3.526 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.050 4.902 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.959 2.600 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.191 2.609 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.909 2.092 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.070 4.285 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.035 3.795 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.094 5.500 3.541 1.00 0.00 H new ATOM 591 N SER A 40 0.155 3.367 5.067 1.00 0.00 N ATOM 592 CA SER A 40 0.365 2.273 6.065 1.00 0.00 C ATOM 593 C SER A 40 -0.984 1.593 6.335 1.00 0.00 C ATOM 594 O SER A 40 -2.028 2.133 6.027 1.00 0.00 O ATOM 595 CB SER A 40 0.911 2.880 7.364 1.00 0.00 C ATOM 596 OG SER A 40 0.036 2.563 8.440 1.00 0.00 O ATOM 0 H SER A 40 -0.418 4.142 5.401 1.00 0.00 H new ATOM 0 HA SER A 40 1.076 1.540 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.910 2.493 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.003 3.961 7.262 1.00 0.00 H new ATOM 0 HG SER A 40 0.385 2.949 9.270 1.00 0.00 H new ATOM 602 N VAL A 41 -0.982 0.410 6.901 1.00 0.00 N ATOM 603 CA VAL A 41 -2.281 -0.284 7.170 1.00 0.00 C ATOM 604 C VAL A 41 -2.123 -1.249 8.360 1.00 0.00 C ATOM 605 O VAL A 41 -1.767 -2.398 8.192 1.00 0.00 O ATOM 606 CB VAL A 41 -2.716 -1.076 5.917 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.229 -0.957 5.723 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.012 -0.527 4.667 1.00 0.00 C ATOM 0 H VAL A 41 -0.146 -0.101 7.186 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.040 0.461 7.410 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.441 -2.121 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.528 -1.518 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.741 -1.359 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.498 0.092 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.328 -1.095 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.275 0.522 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.933 -0.618 4.788 1.00 0.00 H new ATOM 618 N LEU A 42 -2.383 -0.788 9.561 1.00 0.00 N ATOM 619 CA LEU A 42 -2.247 -1.679 10.759 1.00 0.00 C ATOM 620 C LEU A 42 -3.613 -1.907 11.414 1.00 0.00 C ATOM 621 O LEU A 42 -3.694 -2.389 12.527 1.00 0.00 O ATOM 622 CB LEU A 42 -1.324 -1.023 11.787 1.00 0.00 C ATOM 623 CG LEU A 42 0.124 -1.093 11.308 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.025 -0.336 12.298 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.569 -2.563 11.208 1.00 0.00 C ATOM 0 H LEU A 42 -2.683 0.166 9.764 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.834 -2.633 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.616 0.016 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.422 -1.526 12.749 1.00 0.00 H new ATOM 0 HG LEU A 42 0.205 -0.633 10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.060 -0.384 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.710 0.706 12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.945 -0.792 13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.603 -2.608 10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.490 -3.034 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.071 -3.089 10.500 1.00 0.00 H new ATOM 637 N SER A 43 -4.687 -1.563 10.756 1.00 0.00 N ATOM 638 CA SER A 43 -6.027 -1.767 11.385 1.00 0.00 C ATOM 639 C SER A 43 -7.062 -2.132 10.321 1.00 0.00 C ATOM 640 O SER A 43 -6.987 -1.697 9.188 1.00 0.00 O ATOM 641 CB SER A 43 -6.457 -0.478 12.087 1.00 0.00 C ATOM 642 OG SER A 43 -5.344 0.069 12.783 1.00 0.00 O ATOM 0 H SER A 43 -4.698 -1.154 9.822 1.00 0.00 H new ATOM 0 HA SER A 43 -5.959 -2.580 12.108 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.833 0.239 11.358 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.271 -0.683 12.782 1.00 0.00 H new ATOM 0 HG SER A 43 -5.614 0.896 13.233 1.00 0.00 H new ATOM 648 N GLY A 44 -8.038 -2.922 10.684 1.00 0.00 N ATOM 649 CA GLY A 44 -9.090 -3.309 9.703 1.00 0.00 C ATOM 650 C GLY A 44 -9.862 -2.061 9.284 1.00 0.00 C ATOM 651 O GLY A 44 -10.510 -2.033 8.258 1.00 0.00 O ATOM 0 H GLY A 44 -8.151 -3.315 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.637 -3.781 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.767 -4.040 10.146 1.00 0.00 H new ATOM 655 N ALA A 45 -9.788 -1.022 10.072 1.00 0.00 N ATOM 656 CA ALA A 45 -10.506 0.233 9.722 1.00 0.00 C ATOM 657 C ALA A 45 -9.645 1.037 8.749 1.00 0.00 C ATOM 658 O ALA A 45 -10.143 1.679 7.845 1.00 0.00 O ATOM 659 CB ALA A 45 -10.750 1.056 10.989 1.00 0.00 C ATOM 0 H ALA A 45 -9.260 -0.990 10.944 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.465 -0.005 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.276 1.975 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.353 0.477 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.795 1.303 11.452 1.00 0.00 H new ATOM 665 N GLU A 46 -8.353 0.999 8.925 1.00 0.00 N ATOM 666 CA GLU A 46 -7.453 1.752 8.008 1.00 0.00 C ATOM 667 C GLU A 46 -7.486 1.093 6.630 1.00 0.00 C ATOM 668 O GLU A 46 -7.541 1.757 5.615 1.00 0.00 O ATOM 669 CB GLU A 46 -6.024 1.722 8.555 1.00 0.00 C ATOM 670 CG GLU A 46 -5.179 2.777 7.839 1.00 0.00 C ATOM 671 CD GLU A 46 -3.766 2.782 8.420 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.503 1.973 9.295 1.00 0.00 O ATOM 673 OE2 GLU A 46 -2.969 3.596 7.982 1.00 0.00 O ATOM 0 H GLU A 46 -7.882 0.479 9.665 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.786 2.787 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.030 1.913 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.589 0.733 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.143 2.565 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.634 3.761 7.954 1.00 0.00 H new ATOM 680 N GLY A 47 -7.462 -0.210 6.585 1.00 0.00 N ATOM 681 CA GLY A 47 -7.499 -0.909 5.269 1.00 0.00 C ATOM 682 C GLY A 47 -8.751 -0.474 4.509 1.00 0.00 C ATOM 683 O GLY A 47 -8.747 -0.357 3.299 1.00 0.00 O ATOM 0 H GLY A 47 -7.418 -0.821 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.606 -0.671 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.504 -1.989 5.416 1.00 0.00 H new ATOM 687 N SER A 48 -9.822 -0.226 5.212 1.00 0.00 N ATOM 688 CA SER A 48 -11.075 0.210 4.538 1.00 0.00 C ATOM 689 C SER A 48 -11.013 1.719 4.298 1.00 0.00 C ATOM 690 O SER A 48 -11.562 2.230 3.341 1.00 0.00 O ATOM 691 CB SER A 48 -12.275 -0.118 5.428 1.00 0.00 C ATOM 692 OG SER A 48 -13.441 0.488 4.885 1.00 0.00 O ATOM 0 H SER A 48 -9.882 -0.307 6.227 1.00 0.00 H new ATOM 0 HA SER A 48 -11.181 -0.310 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.409 -1.198 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.101 0.244 6.441 1.00 0.00 H new ATOM 0 HG SER A 48 -14.213 0.279 5.452 1.00 0.00 H new ATOM 698 N PHE A 49 -10.344 2.435 5.159 1.00 0.00 N ATOM 699 CA PHE A 49 -10.239 3.910 4.983 1.00 0.00 C ATOM 700 C PHE A 49 -9.384 4.208 3.750 1.00 0.00 C ATOM 701 O PHE A 49 -9.772 4.965 2.883 1.00 0.00 O ATOM 702 CB PHE A 49 -9.587 4.526 6.225 1.00 0.00 C ATOM 703 CG PHE A 49 -9.921 5.997 6.298 1.00 0.00 C ATOM 704 CD1 PHE A 49 -9.244 6.912 5.480 1.00 0.00 C ATOM 705 CD2 PHE A 49 -10.907 6.449 7.185 1.00 0.00 C ATOM 706 CE1 PHE A 49 -9.552 8.275 5.551 1.00 0.00 C ATOM 707 CE2 PHE A 49 -11.214 7.813 7.254 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.537 8.725 6.438 1.00 0.00 C ATOM 0 H PHE A 49 -9.865 2.061 5.978 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.233 4.338 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.940 4.018 7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.506 4.390 6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.485 6.565 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.430 5.745 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.030 8.980 4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.974 8.161 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.774 9.777 6.492 1.00 0.00 H new ATOM 718 N VAL A 50 -8.229 3.605 3.657 1.00 0.00 N ATOM 719 CA VAL A 50 -7.365 3.847 2.471 1.00 0.00 C ATOM 720 C VAL A 50 -8.114 3.382 1.224 1.00 0.00 C ATOM 721 O VAL A 50 -7.996 3.961 0.163 1.00 0.00 O ATOM 722 CB VAL A 50 -6.058 3.058 2.608 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.109 3.439 1.468 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.398 3.391 3.949 1.00 0.00 C ATOM 0 H VAL A 50 -7.850 2.959 4.349 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.129 4.908 2.395 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.273 1.990 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.180 2.878 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.576 3.204 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.895 4.507 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.469 2.830 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.184 4.459 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.071 3.122 4.763 1.00 0.00 H new ATOM 734 N SER A 51 -8.889 2.339 1.350 1.00 0.00 N ATOM 735 CA SER A 51 -9.655 1.833 0.179 1.00 0.00 C ATOM 736 C SER A 51 -10.614 2.920 -0.306 1.00 0.00 C ATOM 737 O SER A 51 -10.643 3.257 -1.469 1.00 0.00 O ATOM 738 CB SER A 51 -10.455 0.598 0.591 1.00 0.00 C ATOM 739 OG SER A 51 -11.453 0.337 -0.387 1.00 0.00 O ATOM 0 H SER A 51 -9.024 1.816 2.215 1.00 0.00 H new ATOM 0 HA SER A 51 -8.965 1.570 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.793 -0.262 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.917 0.758 1.565 1.00 0.00 H new ATOM 0 HG SER A 51 -11.579 -0.631 -0.475 1.00 0.00 H new ATOM 745 N SER A 52 -11.400 3.470 0.580 1.00 0.00 N ATOM 746 CA SER A 52 -12.362 4.536 0.171 1.00 0.00 C ATOM 747 C SER A 52 -11.597 5.749 -0.361 1.00 0.00 C ATOM 748 O SER A 52 -12.123 6.545 -1.111 1.00 0.00 O ATOM 749 CB SER A 52 -13.201 4.952 1.379 1.00 0.00 C ATOM 750 OG SER A 52 -13.714 6.261 1.165 1.00 0.00 O ATOM 0 H SER A 52 -11.418 3.227 1.571 1.00 0.00 H new ATOM 0 HA SER A 52 -13.014 4.152 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.020 4.248 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.593 4.930 2.284 1.00 0.00 H new ATOM 0 HG SER A 52 -14.254 6.531 1.937 1.00 0.00 H new ATOM 756 N LEU A 53 -10.360 5.900 0.024 1.00 0.00 N ATOM 757 CA LEU A 53 -9.563 7.062 -0.454 1.00 0.00 C ATOM 758 C LEU A 53 -9.108 6.800 -1.891 1.00 0.00 C ATOM 759 O LEU A 53 -8.818 7.715 -2.637 1.00 0.00 O ATOM 760 CB LEU A 53 -8.342 7.234 0.466 1.00 0.00 C ATOM 761 CG LEU A 53 -7.245 8.055 -0.223 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.736 9.490 -0.446 1.00 0.00 C ATOM 763 CD2 LEU A 53 -6.002 8.092 0.670 1.00 0.00 C ATOM 0 H LEU A 53 -9.866 5.266 0.652 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.164 7.971 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.645 7.728 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.949 6.255 0.742 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.003 7.596 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.954 10.070 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.626 9.476 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.978 9.945 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.221 8.675 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.254 8.551 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.645 7.076 0.839 1.00 0.00 H new ATOM 775 N VAL A 54 -9.026 5.556 -2.279 1.00 0.00 N ATOM 776 CA VAL A 54 -8.569 5.223 -3.659 1.00 0.00 C ATOM 777 C VAL A 54 -9.653 4.435 -4.404 1.00 0.00 C ATOM 778 O VAL A 54 -9.391 3.801 -5.408 1.00 0.00 O ATOM 779 CB VAL A 54 -7.290 4.390 -3.557 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.255 5.168 -2.746 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.587 3.068 -2.848 1.00 0.00 C ATOM 0 H VAL A 54 -9.257 4.752 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.374 6.140 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.909 4.186 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.339 4.582 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.039 6.114 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.647 5.364 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.672 2.479 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.966 3.270 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.335 2.512 -3.414 1.00 0.00 H new ATOM 791 N LYS A 55 -10.867 4.467 -3.923 1.00 0.00 N ATOM 792 CA LYS A 55 -11.963 3.717 -4.606 1.00 0.00 C ATOM 793 C LYS A 55 -12.563 4.582 -5.719 1.00 0.00 C ATOM 794 O LYS A 55 -13.280 4.099 -6.572 1.00 0.00 O ATOM 795 CB LYS A 55 -13.055 3.371 -3.587 1.00 0.00 C ATOM 796 CG LYS A 55 -13.951 2.260 -4.147 1.00 0.00 C ATOM 797 CD LYS A 55 -15.272 2.223 -3.374 1.00 0.00 C ATOM 798 CE LYS A 55 -15.017 1.748 -1.943 1.00 0.00 C ATOM 799 NZ LYS A 55 -16.319 1.475 -1.269 1.00 0.00 N ATOM 0 H LYS A 55 -11.148 4.980 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.560 2.801 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.602 3.048 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.652 4.256 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.143 2.434 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.445 1.298 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.726 3.214 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.976 1.555 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.404 0.847 -1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.462 2.506 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.145 1.152 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.888 2.345 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.833 0.737 -1.792 1.00 0.00 H new ATOM 896 N SER A 62 -6.928 -0.217 -11.530 1.00 0.00 N ATOM 897 CA SER A 62 -7.610 -1.223 -10.667 1.00 0.00 C ATOM 898 C SER A 62 -6.760 -1.500 -9.430 1.00 0.00 C ATOM 899 O SER A 62 -7.277 -1.775 -8.371 1.00 0.00 O ATOM 900 CB SER A 62 -7.799 -2.517 -11.466 1.00 0.00 C ATOM 901 OG SER A 62 -9.090 -2.515 -12.060 1.00 0.00 O ATOM 0 HA SER A 62 -8.581 -0.841 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.032 -2.599 -12.236 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.688 -3.382 -10.812 1.00 0.00 H new ATOM 0 HG SER A 62 -9.215 -3.340 -12.574 1.00 0.00 H new ATOM 907 N TYR A 63 -5.462 -1.441 -9.551 1.00 0.00 N ATOM 908 CA TYR A 63 -4.598 -1.722 -8.365 1.00 0.00 C ATOM 909 C TYR A 63 -3.924 -0.440 -7.872 1.00 0.00 C ATOM 910 O TYR A 63 -3.875 0.561 -8.559 1.00 0.00 O ATOM 911 CB TYR A 63 -3.532 -2.751 -8.744 1.00 0.00 C ATOM 912 CG TYR A 63 -4.160 -4.124 -8.820 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.128 -4.397 -9.792 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.773 -5.123 -7.918 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.711 -5.667 -9.864 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.358 -6.395 -7.989 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.324 -6.666 -8.962 1.00 0.00 C ATOM 918 OH TYR A 63 -5.902 -7.918 -9.033 1.00 0.00 O ATOM 0 H TYR A 63 -4.964 -1.213 -10.411 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.222 -2.116 -7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.085 -2.490 -9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.729 -2.747 -8.007 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.426 -3.627 -10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.024 -4.914 -7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.459 -5.877 -10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.062 -7.165 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.200 -8.602 -9.040 1.00 0.00 H new ATOM 928 N VAL A 64 -3.407 -0.471 -6.669 1.00 0.00 N ATOM 929 CA VAL A 64 -2.735 0.732 -6.093 1.00 0.00 C ATOM 930 C VAL A 64 -1.532 0.272 -5.254 1.00 0.00 C ATOM 931 O VAL A 64 -1.586 -0.736 -4.586 1.00 0.00 O ATOM 932 CB VAL A 64 -3.751 1.476 -5.217 1.00 0.00 C ATOM 933 CG1 VAL A 64 -3.122 2.727 -4.608 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.954 1.879 -6.073 1.00 0.00 C ATOM 0 H VAL A 64 -3.423 -1.287 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.381 1.398 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.069 0.816 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.859 3.241 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.268 2.442 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.790 3.392 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.679 2.408 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.623 2.530 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.418 0.986 -6.492 1.00 0.00 H new ATOM 944 N TRP A 65 -0.439 0.988 -5.297 1.00 0.00 N ATOM 945 CA TRP A 65 0.764 0.561 -4.512 1.00 0.00 C ATOM 946 C TRP A 65 0.622 0.986 -3.044 1.00 0.00 C ATOM 947 O TRP A 65 0.046 2.012 -2.741 1.00 0.00 O ATOM 948 CB TRP A 65 2.020 1.245 -5.081 1.00 0.00 C ATOM 949 CG TRP A 65 2.824 0.331 -5.959 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.454 0.738 -7.083 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.124 -1.094 -5.820 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.118 -0.331 -7.644 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.942 -1.483 -6.911 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.777 -2.081 -4.877 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.390 -2.792 -7.059 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.232 -3.401 -5.029 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.033 -3.754 -6.118 1.00 0.00 C ATOM 0 H TRP A 65 -0.324 1.845 -5.837 1.00 0.00 H new ATOM 0 HA TRP A 65 0.849 -0.524 -4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.723 2.125 -5.652 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.644 1.595 -4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.439 1.743 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.672 -0.276 -8.498 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.157 -1.821 -4.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.012 -3.061 -7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.961 -4.149 -4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.375 -4.772 -6.230 1.00 0.00 H new ATOM 968 N ILE A 66 1.188 0.229 -2.134 1.00 0.00 N ATOM 969 CA ILE A 66 1.135 0.623 -0.694 1.00 0.00 C ATOM 970 C ILE A 66 2.505 0.320 -0.070 1.00 0.00 C ATOM 971 O ILE A 66 3.390 -0.185 -0.733 1.00 0.00 O ATOM 972 CB ILE A 66 0.024 -0.138 0.039 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.272 -1.644 -0.026 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.320 0.175 -0.621 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.922 -2.376 0.596 1.00 0.00 C ATOM 0 H ILE A 66 1.683 -0.642 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 66 0.910 1.686 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 66 0.015 0.174 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.408 -1.958 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.188 -1.898 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.114 -0.364 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.512 1.246 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.293 -0.134 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.752 -3.452 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.036 -2.068 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.828 -2.130 0.043 1.00 0.00 H new ATOM 987 N GLY A 67 2.720 0.665 1.174 1.00 0.00 N ATOM 988 CA GLY A 67 4.061 0.436 1.785 1.00 0.00 C ATOM 989 C GLY A 67 4.164 -0.925 2.471 1.00 0.00 C ATOM 990 O GLY A 67 4.639 -1.012 3.579 1.00 0.00 O ATOM 0 H GLY A 67 2.028 1.093 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.826 0.509 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.265 1.222 2.512 1.00 0.00 H new ATOM 994 N LEU A 68 3.770 -1.992 1.826 1.00 0.00 N ATOM 995 CA LEU A 68 3.914 -3.332 2.478 1.00 0.00 C ATOM 996 C LEU A 68 4.552 -4.304 1.496 1.00 0.00 C ATOM 997 O LEU A 68 4.095 -4.465 0.387 1.00 0.00 O ATOM 998 CB LEU A 68 2.553 -3.880 2.923 1.00 0.00 C ATOM 999 CG LEU A 68 2.722 -5.253 3.611 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.919 -5.249 4.563 1.00 0.00 C ATOM 1001 CD2 LEU A 68 1.481 -5.571 4.438 1.00 0.00 C ATOM 0 H LEU A 68 3.361 -1.998 0.892 1.00 0.00 H new ATOM 0 HA LEU A 68 4.544 -3.219 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.079 -3.179 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.894 -3.977 2.060 1.00 0.00 H new ATOM 0 HG LEU A 68 2.875 -5.996 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.013 -6.228 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.828 -5.026 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.770 -4.491 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.604 -6.540 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.343 -4.802 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.607 -5.599 3.787 1.00 0.00 H new ATOM 1013 N HIS A 69 5.606 -4.955 1.902 1.00 0.00 N ATOM 1014 CA HIS A 69 6.280 -5.925 1.001 1.00 0.00 C ATOM 1015 C HIS A 69 6.353 -7.276 1.687 1.00 0.00 C ATOM 1016 O HIS A 69 5.851 -7.470 2.773 1.00 0.00 O ATOM 1017 CB HIS A 69 7.693 -5.446 0.666 1.00 0.00 C ATOM 1018 CG HIS A 69 8.472 -5.277 1.935 1.00 0.00 C ATOM 1019 ND1 HIS A 69 9.637 -5.978 2.194 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.254 -4.490 3.029 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.071 -5.600 3.412 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.263 -4.693 3.965 1.00 0.00 N ATOM 0 H HIS A 69 6.030 -4.855 2.824 1.00 0.00 H new ATOM 0 HA HIS A 69 5.709 -6.008 0.076 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.189 -6.166 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.650 -4.502 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.423 -3.811 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.964 -5.984 3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.363 -4.246 4.876 1.00 0.00 H new ATOM 1180 N TRP A 82 5.733 -10.283 5.595 1.00 0.00 N ATOM 1181 CA TRP A 82 4.857 -9.095 5.383 1.00 0.00 C ATOM 1182 C TRP A 82 5.216 -8.002 6.395 1.00 0.00 C ATOM 1183 O TRP A 82 4.877 -8.093 7.557 1.00 0.00 O ATOM 1184 CB TRP A 82 3.394 -9.503 5.575 1.00 0.00 C ATOM 1185 CG TRP A 82 3.184 -10.885 5.043 1.00 0.00 C ATOM 1186 CD1 TRP A 82 3.894 -11.447 4.036 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.216 -11.887 5.469 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.422 -12.729 3.819 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.388 -13.047 4.677 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.214 -11.900 6.457 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.595 -14.180 4.858 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.413 -13.039 6.642 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.605 -14.177 5.844 1.00 0.00 C ATOM 0 HA TRP A 82 5.003 -8.714 4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.131 -9.466 6.632 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.739 -8.801 5.059 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.697 -10.972 3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.793 -13.363 3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.060 -11.029 7.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.745 -15.053 4.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.354 -13.039 7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.012 -15.051 5.992 1.00 0.00 H new ATOM 1204 N GLU A 83 5.894 -6.963 5.970 1.00 0.00 N ATOM 1205 CA GLU A 83 6.252 -5.871 6.933 1.00 0.00 C ATOM 1206 C GLU A 83 6.099 -4.508 6.252 1.00 0.00 C ATOM 1207 O GLU A 83 6.636 -4.275 5.188 1.00 0.00 O ATOM 1208 CB GLU A 83 7.703 -6.053 7.399 1.00 0.00 C ATOM 1209 CG GLU A 83 7.874 -5.474 8.808 1.00 0.00 C ATOM 1210 CD GLU A 83 9.346 -5.127 9.046 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.736 -4.024 8.702 1.00 0.00 O ATOM 1212 OE2 GLU A 83 10.056 -5.970 9.569 1.00 0.00 O ATOM 0 H GLU A 83 6.212 -6.823 5.011 1.00 0.00 H new ATOM 0 HA GLU A 83 5.585 -5.918 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.965 -7.111 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.382 -5.555 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.257 -4.583 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.535 -6.195 9.552 1.00 0.00 H new ATOM 1219 N TRP A 84 5.362 -3.607 6.851 1.00 0.00 N ATOM 1220 CA TRP A 84 5.170 -2.268 6.234 1.00 0.00 C ATOM 1221 C TRP A 84 6.485 -1.499 6.262 1.00 0.00 C ATOM 1222 O TRP A 84 7.361 -1.781 7.058 1.00 0.00 O ATOM 1223 CB TRP A 84 4.105 -1.502 7.015 1.00 0.00 C ATOM 1224 CG TRP A 84 3.107 -2.469 7.561 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.254 -3.169 8.708 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.820 -2.857 7.007 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.137 -3.963 8.893 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.226 -3.809 7.869 1.00 0.00 C ATOM 1229 CE3 TRP A 84 1.116 -2.482 5.850 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 -0.021 -4.369 7.592 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.138 -3.042 5.567 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.705 -3.985 6.436 1.00 0.00 C ATOM 0 H TRP A 84 4.886 -3.745 7.742 1.00 0.00 H new ATOM 0 HA TRP A 84 4.847 -2.384 5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.566 -0.940 7.827 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.611 -0.778 6.366 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.105 -3.117 9.371 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.003 -4.586 9.689 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.544 -1.757 5.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -0.454 -5.094 8.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.670 -2.745 4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.670 -4.414 6.212 1.00 0.00 H new ATOM 1243 N SER A 85 6.643 -0.530 5.400 1.00 0.00 N ATOM 1244 CA SER A 85 7.914 0.238 5.392 1.00 0.00 C ATOM 1245 C SER A 85 7.773 1.466 6.279 1.00 0.00 C ATOM 1246 O SER A 85 8.707 2.222 6.466 1.00 0.00 O ATOM 1247 CB SER A 85 8.256 0.664 3.964 1.00 0.00 C ATOM 1248 OG SER A 85 9.523 1.310 3.959 1.00 0.00 O ATOM 0 H SER A 85 5.951 -0.242 4.708 1.00 0.00 H new ATOM 0 HA SER A 85 8.717 -0.392 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.275 -0.206 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.490 1.337 3.579 1.00 0.00 H new ATOM 0 HG SER A 85 9.699 1.692 4.844 1.00 0.00 H new ATOM 1288 N VAL A 89 5.819 -3.583 12.387 1.00 0.00 N ATOM 1289 CA VAL A 89 5.702 -5.018 12.022 1.00 0.00 C ATOM 1290 C VAL A 89 4.297 -5.292 11.488 1.00 0.00 C ATOM 1291 O VAL A 89 3.519 -4.387 11.264 1.00 0.00 O ATOM 1292 CB VAL A 89 5.960 -5.876 13.264 1.00 0.00 C ATOM 1293 CG1 VAL A 89 7.467 -6.052 13.466 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.362 -5.184 14.491 1.00 0.00 C ATOM 0 HA VAL A 89 6.434 -5.264 11.252 1.00 0.00 H new ATOM 0 HB VAL A 89 5.497 -6.854 13.130 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.647 -6.663 14.351 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.896 -6.543 12.593 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.933 -5.076 13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.544 -5.793 15.377 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.827 -4.207 14.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.288 -5.059 14.351 1.00 0.00 H new ATOM 1304 N MET A 90 3.969 -6.535 11.283 1.00 0.00 N ATOM 1305 CA MET A 90 2.617 -6.873 10.762 1.00 0.00 C ATOM 1306 C MET A 90 1.619 -6.918 11.919 1.00 0.00 C ATOM 1307 O MET A 90 1.371 -7.960 12.492 1.00 0.00 O ATOM 1308 CB MET A 90 2.668 -8.243 10.080 1.00 0.00 C ATOM 1309 CG MET A 90 1.384 -8.476 9.277 1.00 0.00 C ATOM 1310 SD MET A 90 0.067 -9.026 10.392 1.00 0.00 S ATOM 1311 CE MET A 90 0.432 -10.796 10.319 1.00 0.00 C ATOM 0 H MET A 90 4.580 -7.334 11.454 1.00 0.00 H new ATOM 0 HA MET A 90 2.303 -6.116 10.043 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.534 -8.298 9.421 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.786 -9.027 10.828 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.087 -7.557 8.771 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.557 -9.224 8.504 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.274 -11.339 10.947 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.344 -11.144 9.290 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.446 -10.973 10.676 1.00 0.00 H new ATOM 1321 N ASN A 91 1.025 -5.802 12.261 1.00 0.00 N ATOM 1322 CA ASN A 91 0.032 -5.808 13.369 1.00 0.00 C ATOM 1323 C ASN A 91 -1.348 -6.056 12.764 1.00 0.00 C ATOM 1324 O ASN A 91 -2.332 -6.199 13.461 1.00 0.00 O ATOM 1325 CB ASN A 91 0.055 -4.456 14.103 1.00 0.00 C ATOM 1326 CG ASN A 91 0.094 -4.688 15.616 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -0.736 -4.178 16.342 1.00 0.00 O ATOM 1328 ND2 ASN A 91 1.030 -5.442 16.125 1.00 0.00 N ATOM 0 H ASN A 91 1.186 -4.895 11.822 1.00 0.00 H new ATOM 0 HA ASN A 91 0.272 -6.590 14.089 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.925 -3.878 13.792 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.827 -3.873 13.838 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.064 -5.603 17.132 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.727 -5.871 15.516 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.415 -6.122 11.459 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.716 -6.374 10.783 1.00 0.00 C ATOM 1337 C TYR A 92 -2.488 -7.302 9.587 1.00 0.00 C ATOM 1338 O TYR A 92 -1.435 -7.294 8.981 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.315 -5.053 10.301 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.649 -5.315 9.634 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.692 -5.903 10.360 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.839 -4.973 8.289 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -6.924 -6.148 9.742 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.071 -5.218 7.672 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.113 -5.806 8.398 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.327 -6.048 7.789 1.00 0.00 O ATOM 0 H TYR A 92 -0.618 -6.011 10.832 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.406 -6.841 11.485 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.445 -4.372 11.142 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.635 -4.568 9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.546 -6.168 11.397 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.035 -4.520 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.729 -6.601 10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.218 -4.953 6.635 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.290 -5.750 6.856 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.461 -8.108 9.245 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.292 -9.042 8.090 1.00 0.00 C ATOM 1358 C PHE A 93 -4.507 -8.947 7.163 1.00 0.00 C ATOM 1359 O PHE A 93 -5.622 -8.747 7.602 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.162 -10.473 8.612 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.212 -10.721 9.671 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -5.482 -11.181 9.303 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -3.914 -10.490 11.019 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -6.454 -11.409 10.284 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -4.886 -10.718 11.999 1.00 0.00 C ATOM 1366 CZ PHE A 93 -6.156 -11.178 11.632 1.00 0.00 C ATOM 0 H PHE A 93 -4.365 -8.160 9.715 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.395 -8.770 7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.282 -11.182 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.167 -10.631 9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.712 -11.360 8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.934 -10.136 11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -7.434 -11.763 10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.656 -10.539 13.039 1.00 0.00 H new ATOM 0 HZ PHE A 93 -6.906 -11.355 12.389 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.301 -9.099 5.880 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.446 -9.024 4.927 1.00 0.00 C ATOM 1378 C ALA A 94 -4.988 -9.468 3.531 1.00 0.00 C ATOM 1379 O ALA A 94 -5.579 -9.112 2.530 1.00 0.00 O ATOM 1380 CB ALA A 94 -5.969 -7.583 4.867 1.00 0.00 C ATOM 0 H ALA A 94 -3.391 -9.271 5.453 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.244 -9.684 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.806 -7.528 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.301 -7.275 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.172 -6.920 4.529 1.00 0.00 H new ATOM 1386 N TRP A 95 -3.941 -10.245 3.455 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.452 -10.711 2.126 1.00 0.00 C ATOM 1388 C TRP A 95 -4.551 -11.525 1.440 1.00 0.00 C ATOM 1389 O TRP A 95 -5.416 -12.086 2.085 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.214 -11.596 2.320 1.00 0.00 C ATOM 1391 CG TRP A 95 -0.997 -10.740 2.478 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -0.502 -10.302 3.659 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -0.112 -10.219 1.445 1.00 0.00 C ATOM 1394 NE1 TRP A 95 0.629 -9.543 3.415 1.00 0.00 N ATOM 1395 CE2 TRP A 95 0.910 -9.462 2.066 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -0.099 -10.326 0.043 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 1.910 -8.835 1.322 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 0.908 -9.696 -0.710 1.00 0.00 C ATOM 1399 CH2 TRP A 95 1.910 -8.953 -0.071 1.00 0.00 C ATOM 0 H TRP A 95 -3.404 -10.577 4.256 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.193 -9.850 1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.342 -12.228 3.199 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -2.093 -12.261 1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.921 -10.511 4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.187 -9.098 4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.867 -10.896 -0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.679 -8.262 1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.909 -9.785 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.681 -8.472 -0.654 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.524 -11.599 0.137 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.566 -12.381 -0.587 1.00 0.00 C ATOM 1412 C GLU A 96 -5.187 -13.864 -0.566 1.00 0.00 C ATOM 1413 O GLU A 96 -6.025 -14.728 -0.398 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.653 -11.898 -2.036 1.00 0.00 C ATOM 1415 CG GLU A 96 -6.896 -12.492 -2.700 1.00 0.00 C ATOM 1416 CD GLU A 96 -6.947 -12.062 -4.167 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -5.953 -11.541 -4.645 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -7.979 -12.263 -4.788 1.00 0.00 O ATOM 0 H GLU A 96 -3.826 -11.152 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.532 -12.242 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.698 -10.809 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.759 -12.195 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.874 -13.580 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.794 -12.157 -2.181 1.00 0.00 H new ATOM 1564 N HIS A 107 7.734 -9.360 -4.618 1.00 0.00 N ATOM 1565 CA HIS A 107 8.128 -9.065 -3.209 1.00 0.00 C ATOM 1566 C HIS A 107 7.557 -7.706 -2.801 1.00 0.00 C ATOM 1567 O HIS A 107 8.212 -6.912 -2.155 1.00 0.00 O ATOM 1568 CB HIS A 107 9.654 -9.046 -3.089 1.00 0.00 C ATOM 1569 CG HIS A 107 10.233 -10.161 -3.915 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.482 -11.417 -3.390 1.00 0.00 N ATOM 1571 CD2 HIS A 107 10.620 -10.227 -5.230 1.00 0.00 C ATOM 1572 CE1 HIS A 107 10.993 -12.172 -4.377 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.098 -11.496 -5.519 1.00 0.00 N ATOM 0 HA HIS A 107 7.733 -9.838 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.045 -8.087 -3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.949 -9.160 -2.046 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.561 -9.411 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.284 -13.205 -4.258 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.453 -11.837 -6.412 1.00 0.00 H new ATOM 1581 N CYS A 108 6.335 -7.437 -3.175 1.00 0.00 N ATOM 1582 CA CYS A 108 5.701 -6.137 -2.811 1.00 0.00 C ATOM 1583 C CYS A 108 4.188 -6.344 -2.696 1.00 0.00 C ATOM 1584 O CYS A 108 3.665 -7.345 -3.139 1.00 0.00 O ATOM 1585 CB CYS A 108 6.008 -5.098 -3.888 1.00 0.00 C ATOM 1586 SG CYS A 108 7.610 -4.337 -3.533 1.00 0.00 S ATOM 0 H CYS A 108 5.745 -8.066 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 108 6.095 -5.781 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 108 6.024 -5.568 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.227 -4.338 -3.911 1.00 0.00 H new ATOM 1591 N ALA A 109 3.480 -5.422 -2.093 1.00 0.00 N ATOM 1592 CA ALA A 109 2.002 -5.597 -1.945 1.00 0.00 C ATOM 1593 C ALA A 109 1.259 -4.377 -2.504 1.00 0.00 C ATOM 1594 O ALA A 109 1.697 -3.244 -2.384 1.00 0.00 O ATOM 1595 CB ALA A 109 1.655 -5.770 -0.465 1.00 0.00 C ATOM 0 H ALA A 109 3.858 -4.561 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 109 1.695 -6.482 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.578 -5.898 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.166 -6.649 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.973 -4.887 0.089 1.00 0.00 H new ATOM 1601 N SER A 110 0.130 -4.616 -3.112 1.00 0.00 N ATOM 1602 CA SER A 110 -0.676 -3.510 -3.695 1.00 0.00 C ATOM 1603 C SER A 110 -2.161 -3.815 -3.477 1.00 0.00 C ATOM 1604 O SER A 110 -2.533 -4.931 -3.173 1.00 0.00 O ATOM 1605 CB SER A 110 -0.380 -3.407 -5.198 1.00 0.00 C ATOM 1606 OG SER A 110 0.786 -4.164 -5.496 1.00 0.00 O ATOM 0 H SER A 110 -0.273 -5.546 -3.231 1.00 0.00 H new ATOM 0 HA SER A 110 -0.422 -2.565 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.227 -3.779 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.234 -2.365 -5.482 1.00 0.00 H new ATOM 0 HG SER A 110 1.552 -3.560 -5.593 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.013 -2.840 -3.630 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.468 -3.086 -3.433 1.00 0.00 C ATOM 1614 C LEU A 111 -5.061 -3.599 -4.746 1.00 0.00 C ATOM 1615 O LEU A 111 -4.620 -3.234 -5.815 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.166 -1.775 -3.048 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.652 -1.271 -1.685 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.295 0.215 -1.779 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.745 -1.444 -0.628 1.00 0.00 C ATOM 0 H LEU A 111 -2.764 -1.884 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.612 -3.820 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.984 -1.021 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.244 -1.930 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.769 -1.846 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.933 0.564 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.518 0.356 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.180 0.785 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.380 -1.087 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.625 -0.870 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.010 -2.498 -0.548 1.00 0.00 H new ATOM 1631 N SER A 112 -6.047 -4.448 -4.671 1.00 0.00 N ATOM 1632 CA SER A 112 -6.674 -4.998 -5.913 1.00 0.00 C ATOM 1633 C SER A 112 -8.129 -4.529 -6.013 1.00 0.00 C ATOM 1634 O SER A 112 -8.940 -4.808 -5.153 1.00 0.00 O ATOM 1635 CB SER A 112 -6.640 -6.527 -5.858 1.00 0.00 C ATOM 1636 OG SER A 112 -5.377 -6.950 -5.369 1.00 0.00 O ATOM 0 H SER A 112 -6.451 -4.789 -3.799 1.00 0.00 H new ATOM 0 HA SER A 112 -6.121 -4.644 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.436 -6.897 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.816 -6.942 -6.850 1.00 0.00 H new ATOM 0 HG SER A 112 -4.665 -6.506 -5.875 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.464 -3.819 -7.056 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.866 -3.333 -7.212 1.00 0.00 C ATOM 1644 C ARG A 113 -10.822 -4.530 -7.192 1.00 0.00 C ATOM 1645 O ARG A 113 -11.936 -4.438 -6.715 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.983 -2.572 -8.547 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.415 -2.639 -9.107 1.00 0.00 C ATOM 1648 CD ARG A 113 -12.408 -2.010 -8.120 1.00 0.00 C ATOM 1649 NE ARG A 113 -13.157 -0.919 -8.803 1.00 0.00 N ATOM 1650 CZ ARG A 113 -14.242 -0.433 -8.264 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -14.699 -0.939 -7.151 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -14.868 0.559 -8.836 1.00 0.00 N ATOM 0 H ARG A 113 -7.827 -3.554 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.128 -2.663 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.696 -1.531 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.287 -2.995 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.463 -2.117 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.690 -3.677 -9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.101 -2.767 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.877 -1.615 -7.254 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.822 -0.551 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.208 -1.713 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.547 -0.560 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.510 0.955 -9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.716 0.938 -8.414 1.00 0.00 H new ATOM 1666 N SER A 114 -10.400 -5.649 -7.709 1.00 0.00 N ATOM 1667 CA SER A 114 -11.289 -6.846 -7.723 1.00 0.00 C ATOM 1668 C SER A 114 -11.784 -7.140 -6.305 1.00 0.00 C ATOM 1669 O SER A 114 -12.747 -7.857 -6.114 1.00 0.00 O ATOM 1670 CB SER A 114 -10.509 -8.050 -8.251 1.00 0.00 C ATOM 1671 OG SER A 114 -11.409 -9.127 -8.482 1.00 0.00 O ATOM 0 H SER A 114 -9.478 -5.788 -8.123 1.00 0.00 H new ATOM 0 HA SER A 114 -12.145 -6.652 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.993 -7.787 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.745 -8.347 -7.532 1.00 0.00 H new ATOM 0 HG SER A 114 -10.913 -9.901 -8.822 1.00 0.00 H new ATOM 1677 N THR A 115 -11.131 -6.602 -5.306 1.00 0.00 N ATOM 1678 CA THR A 115 -11.560 -6.857 -3.897 1.00 0.00 C ATOM 1679 C THR A 115 -11.940 -5.537 -3.219 1.00 0.00 C ATOM 1680 O THR A 115 -11.826 -5.393 -2.018 1.00 0.00 O ATOM 1681 CB THR A 115 -10.409 -7.513 -3.130 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.332 -6.594 -3.019 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.943 -8.765 -3.878 1.00 0.00 C ATOM 0 H THR A 115 -10.317 -5.995 -5.406 1.00 0.00 H new ATOM 0 HA THR A 115 -12.426 -7.518 -3.898 1.00 0.00 H new ATOM 0 HB THR A 115 -10.749 -7.795 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.259 -6.074 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.123 -9.232 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.771 -9.469 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.602 -8.487 -4.875 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.392 -4.575 -3.977 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.781 -3.266 -3.373 1.00 0.00 C ATOM 1693 C ALA A 116 -11.566 -2.635 -2.687 1.00 0.00 C ATOM 1694 O ALA A 116 -11.695 -1.870 -1.752 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.894 -3.486 -2.345 1.00 0.00 C ATOM 0 H ALA A 116 -12.509 -4.638 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.140 -2.599 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.177 -2.530 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.760 -3.930 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.538 -4.155 -1.561 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.387 -2.952 -3.148 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.157 -2.377 -2.533 1.00 0.00 C ATOM 1703 C PHE A 117 -9.089 -2.762 -1.057 1.00 0.00 C ATOM 1704 O PHE A 117 -8.562 -2.032 -0.240 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.174 -0.850 -2.652 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.547 -0.444 -4.057 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.570 -0.408 -5.058 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.869 -0.096 -4.356 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.915 -0.023 -6.359 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.216 0.289 -5.657 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.237 0.325 -6.658 1.00 0.00 C ATOM 0 H PHE A 117 -10.222 -3.588 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.286 -2.772 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.887 -0.430 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.194 -0.446 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.550 -0.677 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.622 -0.124 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.161 0.005 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.236 0.558 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.503 0.622 -7.662 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.617 -3.903 -0.703 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.585 -4.335 0.724 1.00 0.00 C ATOM 1723 C LEU A 118 -8.557 -5.454 0.899 1.00 0.00 C ATOM 1724 O LEU A 118 -8.043 -5.672 1.980 1.00 0.00 O ATOM 1725 CB LEU A 118 -10.970 -4.842 1.127 1.00 0.00 C ATOM 1726 CG LEU A 118 -11.963 -3.675 1.153 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.371 -4.215 1.420 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.578 -2.680 2.259 1.00 0.00 C ATOM 0 H LEU A 118 -10.070 -4.556 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.307 -3.491 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.308 -5.603 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.923 -5.314 2.109 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.940 -3.163 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.080 -3.388 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.649 -4.913 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.387 -4.729 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.290 -1.854 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.594 -3.185 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.577 -2.294 2.068 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.249 -6.165 -0.155 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.250 -7.270 -0.050 1.00 0.00 C ATOM 1742 C ARG A 119 -5.937 -6.829 -0.701 1.00 0.00 C ATOM 1743 O ARG A 119 -5.908 -5.909 -1.494 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.783 -8.511 -0.770 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.114 -8.946 -0.141 1.00 0.00 C ATOM 1746 CD ARG A 119 -8.849 -9.870 1.054 1.00 0.00 C ATOM 1747 NE ARG A 119 -8.613 -11.258 0.564 1.00 0.00 N ATOM 1748 CZ ARG A 119 -8.689 -12.263 1.393 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -8.066 -12.213 2.539 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -9.386 -13.320 1.077 1.00 0.00 N ATOM 0 H ARG A 119 -8.646 -6.028 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.077 -7.506 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.924 -8.296 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.057 -9.321 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.677 -8.070 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.725 -9.461 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.983 -9.518 1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.699 -9.853 1.736 1.00 0.00 H new ATOM 0 HE ARG A 119 -8.392 -11.422 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.520 -11.388 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.126 -12.999 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.872 -13.361 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.445 -14.105 1.726 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.850 -7.476 -0.368 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.534 -7.092 -0.962 1.00 0.00 C ATOM 1766 C TRP A 120 -3.060 -8.181 -1.927 1.00 0.00 C ATOM 1767 O TRP A 120 -3.252 -9.357 -1.694 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.502 -6.932 0.155 1.00 0.00 C ATOM 1769 CG TRP A 120 -3.094 -6.147 1.279 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.846 -5.032 1.143 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -2.990 -6.401 2.705 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.213 -4.586 2.401 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.707 -5.399 3.397 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.348 -7.398 3.458 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.784 -5.386 4.791 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.422 -7.390 4.859 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.139 -6.386 5.524 1.00 0.00 C ATOM 0 H TRP A 120 -4.817 -8.254 0.290 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.647 -6.152 -1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.183 -7.911 0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.615 -6.427 -0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -4.116 -4.566 0.207 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.786 -3.760 2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -1.793 -8.176 2.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.337 -4.610 5.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -1.924 -8.161 5.428 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.193 -6.385 6.603 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.431 -7.792 -3.006 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.926 -8.796 -3.991 1.00 0.00 C ATOM 1790 C LYS A 121 -0.446 -8.546 -4.254 1.00 0.00 C ATOM 1791 O LYS A 121 0.038 -7.437 -4.147 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.708 -8.672 -5.301 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.449 -9.905 -6.169 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.287 -9.813 -7.448 1.00 0.00 C ATOM 1795 CE LYS A 121 -3.244 -11.152 -8.186 1.00 0.00 C ATOM 1796 NZ LYS A 121 -1.877 -11.373 -8.738 1.00 0.00 N ATOM 0 H LYS A 121 -2.245 -6.819 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.060 -9.799 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.774 -8.578 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.406 -7.770 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.390 -9.971 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.704 -10.811 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.317 -9.554 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.904 -9.020 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.509 -11.962 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.978 -11.159 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.878 -12.222 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.594 -10.548 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.204 -11.503 -7.956 1.00 0.00 H new ATOM 1810 N ASP A 122 0.282 -9.576 -4.586 1.00 0.00 N ATOM 1811 CA ASP A 122 1.734 -9.400 -4.841 1.00 0.00 C ATOM 1812 C ASP A 122 1.950 -8.770 -6.220 1.00 0.00 C ATOM 1813 O ASP A 122 1.210 -9.024 -7.150 1.00 0.00 O ATOM 1814 CB ASP A 122 2.433 -10.760 -4.788 1.00 0.00 C ATOM 1815 CG ASP A 122 2.079 -11.464 -3.475 1.00 0.00 C ATOM 1816 OD1 ASP A 122 2.718 -11.172 -2.479 1.00 0.00 O ATOM 1817 OD2 ASP A 122 1.175 -12.285 -3.491 1.00 0.00 O ATOM 0 H ASP A 122 -0.067 -10.529 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 122 2.152 -8.744 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.126 -11.372 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.513 -10.629 -4.864 1.00 0.00 H new ATOM 1822 N TYR A 123 2.957 -7.950 -6.360 1.00 0.00 N ATOM 1823 CA TYR A 123 3.216 -7.305 -7.683 1.00 0.00 C ATOM 1824 C TYR A 123 4.710 -6.978 -7.817 1.00 0.00 C ATOM 1825 O TYR A 123 5.402 -6.768 -6.841 1.00 0.00 O ATOM 1826 CB TYR A 123 2.384 -6.016 -7.786 1.00 0.00 C ATOM 1827 CG TYR A 123 1.317 -6.178 -8.846 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.669 -6.154 -10.202 1.00 0.00 C ATOM 1829 CD2 TYR A 123 -0.022 -6.351 -8.474 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.684 -6.304 -11.184 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -1.008 -6.501 -9.457 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.655 -6.478 -10.811 1.00 0.00 C ATOM 1833 OH TYR A 123 -1.626 -6.625 -11.780 1.00 0.00 O ATOM 0 H TYR A 123 3.611 -7.698 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 123 2.932 -7.985 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 123 1.923 -5.792 -6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.030 -5.174 -8.033 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.701 -6.020 -10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -0.294 -6.369 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 123 0.956 -6.286 -12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.041 -6.634 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.501 -6.737 -11.352 1.00 0.00 H new ATOM 1843 N ASN A 124 5.211 -6.937 -9.026 1.00 0.00 N ATOM 1844 CA ASN A 124 6.658 -6.626 -9.235 1.00 0.00 C ATOM 1845 C ASN A 124 7.000 -5.290 -8.570 1.00 0.00 C ATOM 1846 O ASN A 124 6.513 -4.249 -8.959 1.00 0.00 O ATOM 1847 CB ASN A 124 6.947 -6.540 -10.736 1.00 0.00 C ATOM 1848 CG ASN A 124 6.968 -7.948 -11.334 1.00 0.00 C ATOM 1849 OD1 ASN A 124 6.508 -8.888 -10.719 1.00 0.00 O ATOM 1850 ND2 ASN A 124 7.486 -8.133 -12.516 1.00 0.00 N ATOM 0 H ASN A 124 4.679 -7.106 -9.879 1.00 0.00 H new ATOM 0 HA ASN A 124 7.266 -7.414 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.186 -5.935 -11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 124 7.905 -6.047 -10.905 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.505 -9.068 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 124 7.873 -7.343 -13.033 1.00 0.00 H new ATOM 1857 N CYS A 125 7.832 -5.320 -7.566 1.00 0.00 N ATOM 1858 CA CYS A 125 8.211 -4.064 -6.852 1.00 0.00 C ATOM 1859 C CYS A 125 8.598 -2.958 -7.840 1.00 0.00 C ATOM 1860 O CYS A 125 8.822 -1.831 -7.447 1.00 0.00 O ATOM 1861 CB CYS A 125 9.411 -4.342 -5.946 1.00 0.00 C ATOM 1862 SG CYS A 125 8.917 -5.442 -4.601 1.00 0.00 S ATOM 0 H CYS A 125 8.270 -6.167 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 125 7.351 -3.733 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.217 -4.796 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.797 -3.407 -5.541 1.00 0.00 H new ATOM 1867 N ASN A 126 8.706 -3.261 -9.107 1.00 0.00 N ATOM 1868 CA ASN A 126 9.111 -2.201 -10.080 1.00 0.00 C ATOM 1869 C ASN A 126 7.893 -1.657 -10.835 1.00 0.00 C ATOM 1870 O ASN A 126 7.848 -0.493 -11.184 1.00 0.00 O ATOM 1871 CB ASN A 126 10.109 -2.784 -11.082 1.00 0.00 C ATOM 1872 CG ASN A 126 10.827 -1.647 -11.812 1.00 0.00 C ATOM 1873 OD1 ASN A 126 10.392 -1.213 -12.860 1.00 0.00 O ATOM 1874 ND2 ASN A 126 11.914 -1.141 -11.298 1.00 0.00 N ATOM 0 H ASN A 126 8.534 -4.183 -9.507 1.00 0.00 H new ATOM 0 HA ASN A 126 9.571 -1.382 -9.527 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.834 -3.413 -10.565 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.590 -3.420 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.398 -0.381 -11.776 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.279 -1.505 -10.418 1.00 0.00 H new ATOM 1881 N VAL A 127 6.898 -2.465 -11.083 1.00 0.00 N ATOM 1882 CA VAL A 127 5.701 -1.941 -11.806 1.00 0.00 C ATOM 1883 C VAL A 127 5.193 -0.734 -11.027 1.00 0.00 C ATOM 1884 O VAL A 127 4.998 -0.808 -9.830 1.00 0.00 O ATOM 1885 CB VAL A 127 4.615 -3.025 -11.861 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.258 -2.388 -12.181 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.967 -4.042 -12.949 1.00 0.00 C ATOM 0 H VAL A 127 6.860 -3.450 -10.822 1.00 0.00 H new ATOM 0 HA VAL A 127 5.956 -1.659 -12.828 1.00 0.00 H new ATOM 0 HB VAL A 127 4.558 -3.525 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.492 -3.163 -12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.004 -1.664 -11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.311 -1.884 -13.146 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.197 -4.813 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.027 -3.537 -13.913 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.929 -4.502 -12.720 1.00 0.00 H new ATOM 1897 N ARG A 128 5.010 0.394 -11.663 1.00 0.00 N ATOM 1898 CA ARG A 128 4.563 1.574 -10.891 1.00 0.00 C ATOM 1899 C ARG A 128 3.056 1.609 -10.814 1.00 0.00 C ATOM 1900 O ARG A 128 2.387 1.120 -11.701 1.00 0.00 O ATOM 1901 CB ARG A 128 5.073 2.839 -11.596 1.00 0.00 C ATOM 1902 CG ARG A 128 5.308 2.544 -13.082 1.00 0.00 C ATOM 1903 CD ARG A 128 5.642 3.843 -13.826 1.00 0.00 C ATOM 1904 NE ARG A 128 6.722 3.578 -14.819 1.00 0.00 N ATOM 1905 CZ ARG A 128 6.925 4.412 -15.801 1.00 0.00 C ATOM 1906 NH1 ARG A 128 5.910 4.927 -16.440 1.00 0.00 N ATOM 1907 NH2 ARG A 128 8.143 4.732 -16.145 1.00 0.00 N ATOM 0 H ARG A 128 5.149 0.541 -12.663 1.00 0.00 H new ATOM 0 HA ARG A 128 4.960 1.520 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.348 3.646 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.999 3.177 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.124 1.830 -13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.420 2.085 -13.515 1.00 0.00 H new ATOM 0 HD2 ARG A 128 4.754 4.225 -14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 128 5.962 4.609 -13.119 1.00 0.00 H new ATOM 0 HE ARG A 128 7.302 2.744 -14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.958 4.677 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.069 5.579 -17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.936 4.330 -15.646 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.301 5.384 -16.913 1.00 0.00 H new ATOM 1921 N LEU A 129 2.486 2.175 -9.771 1.00 0.00 N ATOM 1922 CA LEU A 129 0.983 2.169 -9.751 1.00 0.00 C ATOM 1923 C LEU A 129 0.480 3.426 -9.096 1.00 0.00 C ATOM 1924 O LEU A 129 1.196 4.016 -8.308 1.00 0.00 O ATOM 1925 CB LEU A 129 0.504 0.972 -8.915 1.00 0.00 C ATOM 1926 CG LEU A 129 0.469 -0.312 -9.762 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.387 -1.368 -9.140 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.959 -0.849 -9.794 1.00 0.00 C ATOM 0 H LEU A 129 2.958 2.614 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 129 0.609 2.105 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.167 0.831 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.490 1.176 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 129 0.808 -0.088 -10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.359 -2.275 -9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.408 -0.987 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.049 -1.594 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.992 -1.759 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.287 -1.070 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.619 -0.101 -10.234 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.737 3.829 -9.314 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.233 5.008 -8.582 1.00 0.00 C ATOM 1942 C PRO A 130 -1.095 4.683 -7.092 1.00 0.00 C ATOM 1943 O PRO A 130 -1.335 3.558 -6.703 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.699 5.089 -9.020 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.981 3.940 -10.006 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.673 3.177 -10.263 1.00 0.00 C ATOM 0 HA PRO A 130 -0.714 5.948 -8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.357 5.015 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.900 6.051 -9.492 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.736 3.268 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.378 4.334 -10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.778 2.111 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.340 3.276 -11.296 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.662 5.584 -6.254 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.485 5.174 -4.826 1.00 0.00 C ATOM 1956 C TYR A 131 -0.914 6.244 -3.836 1.00 0.00 C ATOM 1957 O TYR A 131 -1.348 7.320 -4.198 1.00 0.00 O ATOM 1958 CB TYR A 131 0.997 4.889 -4.600 1.00 0.00 C ATOM 1959 CG TYR A 131 1.784 6.158 -4.829 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.182 6.510 -6.124 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.109 6.984 -3.747 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.908 7.688 -6.337 1.00 0.00 C ATOM 1963 CE2 TYR A 131 2.837 8.162 -3.961 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.236 8.514 -5.255 1.00 0.00 C ATOM 1965 OH TYR A 131 3.951 9.675 -5.466 1.00 0.00 O ATOM 0 H TYR A 131 -0.430 6.551 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 131 -1.115 4.301 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.159 4.523 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.338 4.107 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.929 5.873 -6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 131 1.799 6.714 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 131 3.215 7.960 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.090 8.799 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 131 4.093 10.132 -4.611 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.763 5.943 -2.565 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.127 6.929 -1.506 1.00 0.00 C ATOM 1977 C VAL A 132 0.072 7.078 -0.573 1.00 0.00 C ATOM 1978 O VAL A 132 0.940 6.230 -0.540 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.334 6.413 -0.718 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.551 7.280 0.524 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.580 6.472 -1.602 1.00 0.00 C ATOM 0 H VAL A 132 -0.402 5.054 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.384 7.890 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.150 5.384 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.411 6.909 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.664 7.239 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.733 8.311 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.441 6.105 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.760 7.502 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.429 5.851 -2.485 1.00 0.00 H new ATOM 1991 N CYS A 133 0.144 8.132 0.189 1.00 0.00 N ATOM 1992 CA CYS A 133 1.312 8.279 1.105 1.00 0.00 C ATOM 1993 C CYS A 133 0.947 9.153 2.302 1.00 0.00 C ATOM 1994 O CYS A 133 0.169 10.081 2.200 1.00 0.00 O ATOM 1995 CB CYS A 133 2.477 8.906 0.340 1.00 0.00 C ATOM 1996 SG CYS A 133 3.216 7.649 -0.729 1.00 0.00 S ATOM 0 H CYS A 133 -0.541 8.887 0.220 1.00 0.00 H new ATOM 0 HA CYS A 133 1.601 7.295 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.127 9.749 -0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 133 3.221 9.294 1.036 1.00 0.00 H new ATOM 2001 N LYS A 134 1.513 8.854 3.442 1.00 0.00 N ATOM 2002 CA LYS A 134 1.222 9.647 4.669 1.00 0.00 C ATOM 2003 C LYS A 134 2.391 10.599 4.936 1.00 0.00 C ATOM 2004 O LYS A 134 3.495 10.360 4.496 1.00 0.00 O ATOM 2005 CB LYS A 134 1.044 8.687 5.853 1.00 0.00 C ATOM 2006 CG LYS A 134 2.399 8.387 6.501 1.00 0.00 C ATOM 2007 CD LYS A 134 2.285 7.134 7.374 1.00 0.00 C ATOM 2008 CE LYS A 134 3.504 7.035 8.289 1.00 0.00 C ATOM 2009 NZ LYS A 134 3.494 5.721 8.991 1.00 0.00 N ATOM 0 H LYS A 134 2.171 8.086 3.575 1.00 0.00 H new ATOM 0 HA LYS A 134 0.309 10.228 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.371 9.127 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.583 7.760 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.157 8.239 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.720 9.235 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.373 7.175 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.216 6.246 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.419 7.141 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.493 7.847 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.324 5.654 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 2.627 5.638 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 3.524 4.953 8.290 1.00 0.00 H new ATOM 2023 N PHE A 135 2.160 11.674 5.645 1.00 0.00 N ATOM 2024 CA PHE A 135 3.276 12.632 5.926 1.00 0.00 C ATOM 2025 C PHE A 135 2.767 13.782 6.803 1.00 0.00 C ATOM 2026 O PHE A 135 1.830 14.470 6.454 1.00 0.00 O ATOM 2027 CB PHE A 135 3.812 13.209 4.611 1.00 0.00 C ATOM 2028 CG PHE A 135 2.688 13.871 3.851 1.00 0.00 C ATOM 2029 CD1 PHE A 135 1.907 13.123 2.963 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.427 15.234 4.036 1.00 0.00 C ATOM 2031 CE1 PHE A 135 0.864 13.737 2.258 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.384 15.849 3.330 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.604 15.100 2.443 1.00 0.00 C ATOM 0 H PHE A 135 1.255 11.930 6.040 1.00 0.00 H new ATOM 0 HA PHE A 135 4.073 12.099 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.602 13.932 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.254 12.416 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.109 12.072 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 135 3.029 15.811 4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.261 13.160 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 135 1.183 16.901 3.471 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.200 15.574 1.900 1.00 0.00 H new