USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=30 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 63 TYR OH : rot -92:sc= 1.05 USER MOD Set 1.2: A 112 SER OG : rot 45:sc= 1.24 USER MOD Set 2.1: A 22 SER OG : rot -84:sc= 0.263 USER MOD Set 2.2: A 126 ASN : amide:sc= -0.886! X(o=-0.62!,f=-0.48) USER MOD Set 3.1: A 11 SER OG : rot 67:sc= -2.63! USER MOD Set 3.2: A 12 HIS : no HD1:sc= -7.09! C(o=-9.7!,f=-8.6!) USER MOD Set 4.1: A 6 SER OG : rot 121:sc= 0.488 USER MOD Set 4.2: A 13 CYS SG : rot 180:sc= 0.439 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.156) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 140:sc= -0.38 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.0777 (180deg=-0.786) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.02) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc=-0.00906 (180deg=-0.215) USER MOD Single : A 35 SER OG : rot 180:sc= -0.119 USER MOD Single : A 37 ASN : amide:sc= -5.21! C(o=-5.2!,f=-4.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00526 USER MOD Single : A 43 SER OG : rot -172:sc= -4.46! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 136:sc= 0.389 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -144:sc=-0.000359 (180deg=-0.127) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.7 K(o=-0.7,f=0.011) USER MOD Single : A 85 SER OG : rot -164:sc= 1.05 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 110 SER OG : rot 173:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -32:sc= 1.01 USER MOD Single : A 121 LYS NZ :NH3+ -155:sc= -0.0276 (180deg=-0.667) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.012) USER MOD Single : A 131 TYR OH : rot 180:sc=-0.00321 USER MOD Single : A 134 LYS NZ :NH3+ -155:sc= -0.14 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.814 14.843 0.798 1.00 0.00 N ATOM 81 CA SER A 6 -5.873 14.238 1.785 1.00 0.00 C ATOM 82 C SER A 6 -6.633 13.922 3.077 1.00 0.00 C ATOM 83 O SER A 6 -7.509 14.661 3.485 1.00 0.00 O ATOM 84 CB SER A 6 -4.741 15.222 2.087 1.00 0.00 C ATOM 85 OG SER A 6 -5.199 16.192 3.021 1.00 0.00 O ATOM 0 HA SER A 6 -5.452 13.321 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.879 14.690 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.413 15.710 1.169 1.00 0.00 H new ATOM 0 HG SER A 6 -4.634 16.168 3.821 1.00 0.00 H new ATOM 91 N LYS A 7 -6.315 12.826 3.719 1.00 0.00 N ATOM 92 CA LYS A 7 -7.031 12.459 4.982 1.00 0.00 C ATOM 93 C LYS A 7 -6.010 12.149 6.079 1.00 0.00 C ATOM 94 O LYS A 7 -5.045 11.449 5.859 1.00 0.00 O ATOM 95 CB LYS A 7 -7.898 11.218 4.738 1.00 0.00 C ATOM 96 CG LYS A 7 -8.856 11.468 3.564 1.00 0.00 C ATOM 97 CD LYS A 7 -10.091 12.243 4.049 1.00 0.00 C ATOM 98 CE LYS A 7 -10.553 13.212 2.958 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.912 12.444 1.732 1.00 0.00 N ATOM 0 H LYS A 7 -5.592 12.170 3.425 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.661 13.292 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.264 10.358 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.466 10.979 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.347 12.032 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.162 10.518 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.894 11.549 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.853 12.792 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.412 13.785 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.762 13.928 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.413 13.067 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.046 12.082 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.527 11.646 1.990 1.00 0.00 H new ATOM 113 N ALA A 8 -6.212 12.662 7.262 1.00 0.00 N ATOM 114 CA ALA A 8 -5.244 12.390 8.364 1.00 0.00 C ATOM 115 C ALA A 8 -5.597 11.071 9.053 1.00 0.00 C ATOM 116 O ALA A 8 -6.749 10.692 9.144 1.00 0.00 O ATOM 117 CB ALA A 8 -5.292 13.525 9.387 1.00 0.00 C ATOM 0 H ALA A 8 -7.002 13.256 7.513 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.240 12.321 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.583 13.322 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.030 14.465 8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.298 13.599 9.801 1.00 0.00 H new ATOM 123 N TYR A 9 -4.610 10.375 9.542 1.00 0.00 N ATOM 124 CA TYR A 9 -4.870 9.081 10.232 1.00 0.00 C ATOM 125 C TYR A 9 -3.692 8.772 11.160 1.00 0.00 C ATOM 126 O TYR A 9 -2.552 9.033 10.838 1.00 0.00 O ATOM 127 CB TYR A 9 -5.020 7.967 9.187 1.00 0.00 C ATOM 128 CG TYR A 9 -6.091 6.993 9.627 1.00 0.00 C ATOM 129 CD1 TYR A 9 -5.898 6.211 10.771 1.00 0.00 C ATOM 130 CD2 TYR A 9 -7.278 6.874 8.892 1.00 0.00 C ATOM 131 CE1 TYR A 9 -6.889 5.310 11.181 1.00 0.00 C ATOM 132 CE2 TYR A 9 -8.269 5.974 9.300 1.00 0.00 C ATOM 133 CZ TYR A 9 -8.075 5.192 10.446 1.00 0.00 C ATOM 134 OH TYR A 9 -9.050 4.305 10.849 1.00 0.00 O ATOM 0 H TYR A 9 -3.628 10.648 9.493 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.788 9.145 10.816 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.281 8.396 8.220 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.071 7.445 9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.984 6.302 11.339 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.428 7.478 8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.738 4.706 12.064 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.183 5.882 8.732 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.808 4.349 10.229 1.00 0.00 H new ATOM 144 N GLY A 10 -3.954 8.228 12.315 1.00 0.00 N ATOM 145 CA GLY A 10 -2.840 7.918 13.251 1.00 0.00 C ATOM 146 C GLY A 10 -2.160 9.221 13.674 1.00 0.00 C ATOM 147 O GLY A 10 -2.340 9.693 14.780 1.00 0.00 O ATOM 0 H GLY A 10 -4.887 7.986 12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.221 7.392 14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.119 7.257 12.770 1.00 0.00 H new ATOM 151 N SER A 11 -1.380 9.811 12.805 1.00 0.00 N ATOM 152 CA SER A 11 -0.696 11.086 13.169 1.00 0.00 C ATOM 153 C SER A 11 0.025 11.665 11.947 1.00 0.00 C ATOM 154 O SER A 11 1.039 12.323 12.074 1.00 0.00 O ATOM 155 CB SER A 11 0.326 10.818 14.275 1.00 0.00 C ATOM 156 OG SER A 11 1.572 10.463 13.688 1.00 0.00 O ATOM 0 H SER A 11 -1.188 9.467 11.864 1.00 0.00 H new ATOM 0 HA SER A 11 -1.442 11.801 13.518 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.444 11.704 14.899 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.025 10.016 14.924 1.00 0.00 H new ATOM 0 HG SER A 11 1.940 11.235 13.209 1.00 0.00 H new ATOM 162 N HIS A 12 -0.483 11.436 10.764 1.00 0.00 N ATOM 163 CA HIS A 12 0.182 11.982 9.552 1.00 0.00 C ATOM 164 C HIS A 12 -0.876 12.285 8.493 1.00 0.00 C ATOM 165 O HIS A 12 -1.940 11.697 8.480 1.00 0.00 O ATOM 166 CB HIS A 12 1.171 10.951 9.006 1.00 0.00 C ATOM 167 CG HIS A 12 2.144 10.562 10.085 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.452 11.020 10.099 1.00 0.00 N ATOM 169 CD2 HIS A 12 2.017 9.756 11.189 1.00 0.00 C ATOM 170 CE1 HIS A 12 4.056 10.492 11.180 1.00 0.00 C ATOM 171 NE2 HIS A 12 3.225 9.713 11.880 1.00 0.00 N ATOM 0 H HIS A 12 -1.329 10.894 10.589 1.00 0.00 H new ATOM 0 HA HIS A 12 0.717 12.897 9.807 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.635 10.071 8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.707 11.364 8.151 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.117 9.234 11.478 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.086 10.675 11.449 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.431 9.198 12.736 1.00 0.00 H new ATOM 179 N CYS A 13 -0.599 13.197 7.603 1.00 0.00 N ATOM 180 CA CYS A 13 -1.593 13.531 6.545 1.00 0.00 C ATOM 181 C CYS A 13 -1.418 12.568 5.371 1.00 0.00 C ATOM 182 O CYS A 13 -0.334 12.404 4.848 1.00 0.00 O ATOM 183 CB CYS A 13 -1.369 14.971 6.073 1.00 0.00 C ATOM 184 SG CYS A 13 -2.938 15.668 5.499 1.00 0.00 S ATOM 0 H CYS A 13 0.273 13.725 7.563 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.603 13.438 6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.967 15.574 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.634 14.991 5.269 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.750 16.891 5.100 1.00 0.00 H new ATOM 189 N TYR A 14 -2.476 11.919 4.956 1.00 0.00 N ATOM 190 CA TYR A 14 -2.365 10.960 3.821 1.00 0.00 C ATOM 191 C TYR A 14 -2.847 11.635 2.541 1.00 0.00 C ATOM 192 O TYR A 14 -3.796 12.390 2.551 1.00 0.00 O ATOM 193 CB TYR A 14 -3.227 9.722 4.096 1.00 0.00 C ATOM 194 CG TYR A 14 -2.663 8.959 5.273 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.666 9.535 6.550 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.134 7.674 5.088 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.145 8.827 7.638 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.613 6.968 6.179 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.619 7.544 7.453 1.00 0.00 C ATOM 200 OH TYR A 14 -1.104 6.847 8.528 1.00 0.00 O ATOM 0 H TYR A 14 -3.410 12.013 5.355 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.324 10.655 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.254 10.021 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.253 9.082 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.071 10.526 6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.128 7.229 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.149 9.271 8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.206 5.978 6.036 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.781 5.972 8.226 1.00 0.00 H new ATOM 210 N ALA A 15 -2.202 11.368 1.437 1.00 0.00 N ATOM 211 CA ALA A 15 -2.626 11.994 0.152 1.00 0.00 C ATOM 212 C ALA A 15 -2.578 10.952 -0.964 1.00 0.00 C ATOM 213 O ALA A 15 -1.701 10.113 -1.008 1.00 0.00 O ATOM 214 CB ALA A 15 -1.684 13.152 -0.188 1.00 0.00 C ATOM 0 H ALA A 15 -1.399 10.743 1.370 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.644 12.372 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.994 13.609 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.720 13.896 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.666 12.776 -0.286 1.00 0.00 H new ATOM 220 N LEU A 16 -3.522 11.002 -1.862 1.00 0.00 N ATOM 221 CA LEU A 16 -3.553 10.019 -2.982 1.00 0.00 C ATOM 222 C LEU A 16 -3.000 10.679 -4.250 1.00 0.00 C ATOM 223 O LEU A 16 -3.465 11.719 -4.671 1.00 0.00 O ATOM 224 CB LEU A 16 -5.010 9.579 -3.202 1.00 0.00 C ATOM 225 CG LEU A 16 -5.194 8.982 -4.602 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.271 7.777 -4.782 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.646 8.532 -4.771 1.00 0.00 C ATOM 0 H LEU A 16 -4.279 11.686 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.941 9.149 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.290 8.843 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.675 10.433 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.948 9.737 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.408 7.359 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.234 8.091 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.511 7.020 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.782 8.107 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.884 7.780 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.309 9.389 -4.649 1.00 0.00 H new ATOM 239 N PHE A 17 -2.021 10.071 -4.871 1.00 0.00 N ATOM 240 CA PHE A 17 -1.445 10.637 -6.117 1.00 0.00 C ATOM 241 C PHE A 17 -1.753 9.666 -7.251 1.00 0.00 C ATOM 242 O PHE A 17 -1.339 8.524 -7.232 1.00 0.00 O ATOM 243 CB PHE A 17 0.071 10.792 -5.962 1.00 0.00 C ATOM 244 CG PHE A 17 0.380 12.100 -5.272 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.386 12.171 -3.874 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.661 13.241 -6.032 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.672 13.384 -3.236 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.948 14.454 -5.395 1.00 0.00 C ATOM 249 CZ PHE A 17 0.953 14.526 -3.996 1.00 0.00 C ATOM 0 H PHE A 17 -1.595 9.198 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.872 11.617 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.474 9.960 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.551 10.763 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.170 11.290 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.656 13.186 -7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.676 13.439 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.166 15.334 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.173 15.462 -3.504 1.00 0.00 H new ATOM 259 N LEU A 18 -2.475 10.104 -8.235 1.00 0.00 N ATOM 260 CA LEU A 18 -2.807 9.199 -9.362 1.00 0.00 C ATOM 261 C LEU A 18 -1.558 9.024 -10.200 1.00 0.00 C ATOM 262 O LEU A 18 -1.598 8.542 -11.316 1.00 0.00 O ATOM 263 CB LEU A 18 -3.929 9.807 -10.206 1.00 0.00 C ATOM 264 CG LEU A 18 -5.040 10.334 -9.291 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.311 10.566 -10.112 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.333 9.313 -8.186 1.00 0.00 C ATOM 0 H LEU A 18 -2.850 11.050 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.148 8.234 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.536 10.617 -10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.331 9.057 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.716 11.272 -8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.101 10.941 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.110 11.296 -10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.629 9.626 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.123 9.694 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.653 8.373 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.431 9.146 -7.597 1.00 0.00 H new ATOM 278 N SER A 19 -0.437 9.416 -9.665 1.00 0.00 N ATOM 279 CA SER A 19 0.831 9.272 -10.436 1.00 0.00 C ATOM 280 C SER A 19 1.456 7.899 -10.145 1.00 0.00 C ATOM 281 O SER A 19 1.748 7.580 -9.008 1.00 0.00 O ATOM 282 CB SER A 19 1.819 10.370 -10.044 1.00 0.00 C ATOM 283 OG SER A 19 1.194 11.267 -9.138 1.00 0.00 O ATOM 0 H SER A 19 -0.342 9.826 -8.736 1.00 0.00 H new ATOM 0 HA SER A 19 0.607 9.359 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.704 9.930 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.154 10.907 -10.932 1.00 0.00 H new ATOM 0 HG SER A 19 1.831 11.523 -8.439 1.00 0.00 H new ATOM 289 N PRO A 20 1.668 7.092 -11.155 1.00 0.00 N ATOM 290 CA PRO A 20 2.276 5.747 -10.954 1.00 0.00 C ATOM 291 C PRO A 20 3.708 5.834 -10.411 1.00 0.00 C ATOM 292 O PRO A 20 4.441 6.753 -10.724 1.00 0.00 O ATOM 293 CB PRO A 20 2.279 5.164 -12.370 1.00 0.00 C ATOM 294 CG PRO A 20 1.701 6.206 -13.339 1.00 0.00 C ATOM 295 CD PRO A 20 1.314 7.455 -12.553 1.00 0.00 C ATOM 0 HA PRO A 20 1.731 5.148 -10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.294 4.897 -12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.686 4.250 -12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.435 6.456 -14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.830 5.800 -13.853 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.863 8.333 -12.894 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.253 7.683 -12.655 1.00 0.00 H new ATOM 303 N LYS A 21 4.123 4.880 -9.620 1.00 0.00 N ATOM 304 CA LYS A 21 5.518 4.912 -9.083 1.00 0.00 C ATOM 305 C LYS A 21 5.900 3.515 -8.584 1.00 0.00 C ATOM 306 O LYS A 21 5.205 2.927 -7.785 1.00 0.00 O ATOM 307 CB LYS A 21 5.607 5.911 -7.920 1.00 0.00 C ATOM 308 CG LYS A 21 5.840 7.332 -8.452 1.00 0.00 C ATOM 309 CD LYS A 21 6.419 8.205 -7.337 1.00 0.00 C ATOM 310 CE LYS A 21 6.336 9.677 -7.747 1.00 0.00 C ATOM 311 NZ LYS A 21 6.621 9.804 -9.203 1.00 0.00 N ATOM 0 H LYS A 21 3.560 4.083 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 21 6.202 5.221 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.688 5.881 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.420 5.628 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.523 7.307 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.902 7.756 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.868 8.043 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.455 7.928 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.345 10.072 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.051 10.266 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.866 10.790 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.417 9.185 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.779 9.526 -9.747 1.00 0.00 H new ATOM 325 N SER A 22 7.007 2.985 -9.033 1.00 0.00 N ATOM 326 CA SER A 22 7.426 1.631 -8.562 1.00 0.00 C ATOM 327 C SER A 22 7.293 1.568 -7.040 1.00 0.00 C ATOM 328 O SER A 22 7.448 2.561 -6.358 1.00 0.00 O ATOM 329 CB SER A 22 8.881 1.383 -8.958 1.00 0.00 C ATOM 330 OG SER A 22 8.967 1.249 -10.369 1.00 0.00 O ATOM 0 H SER A 22 7.637 3.428 -9.702 1.00 0.00 H new ATOM 0 HA SER A 22 6.793 0.870 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.507 2.209 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.254 0.481 -8.472 1.00 0.00 H new ATOM 0 HG SER A 22 8.761 0.325 -10.623 1.00 0.00 H new ATOM 336 N TRP A 23 7.012 0.418 -6.494 1.00 0.00 N ATOM 337 CA TRP A 23 6.880 0.326 -5.012 1.00 0.00 C ATOM 338 C TRP A 23 8.185 0.801 -4.387 1.00 0.00 C ATOM 339 O TRP A 23 8.236 1.196 -3.242 1.00 0.00 O ATOM 340 CB TRP A 23 6.616 -1.122 -4.593 1.00 0.00 C ATOM 341 CG TRP A 23 6.571 -1.199 -3.100 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.441 -1.254 -2.360 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.681 -1.225 -2.157 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.785 -1.311 -1.023 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.154 -1.296 -0.845 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.080 -1.194 -2.308 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.985 -1.334 0.276 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.919 -1.233 -1.183 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.371 -1.304 0.107 1.00 0.00 C ATOM 0 H TRP A 23 6.869 -0.454 -7.003 1.00 0.00 H new ATOM 0 HA TRP A 23 6.046 0.944 -4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.674 -1.470 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.399 -1.774 -4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.434 -1.253 -2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.110 -1.358 -0.260 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.511 -1.140 -3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.559 -1.386 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.991 -1.208 -1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.021 -1.335 0.969 1.00 0.00 H new ATOM 360 N THR A 24 9.239 0.765 -5.147 1.00 0.00 N ATOM 361 CA THR A 24 10.561 1.211 -4.630 1.00 0.00 C ATOM 362 C THR A 24 10.734 2.694 -4.946 1.00 0.00 C ATOM 363 O THR A 24 11.555 3.380 -4.372 1.00 0.00 O ATOM 364 CB THR A 24 11.664 0.396 -5.313 1.00 0.00 C ATOM 365 OG1 THR A 24 12.880 0.556 -4.597 1.00 0.00 O ATOM 366 CG2 THR A 24 11.850 0.873 -6.757 1.00 0.00 C ATOM 0 H THR A 24 9.243 0.442 -6.115 1.00 0.00 H new ATOM 0 HA THR A 24 10.620 1.060 -3.552 1.00 0.00 H new ATOM 0 HB THR A 24 11.380 -0.656 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.587 0.034 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.636 0.288 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.917 0.744 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.129 1.927 -6.759 1.00 0.00 H new ATOM 374 N ASP A 25 9.957 3.181 -5.869 1.00 0.00 N ATOM 375 CA ASP A 25 10.045 4.616 -6.260 1.00 0.00 C ATOM 376 C ASP A 25 9.146 5.443 -5.348 1.00 0.00 C ATOM 377 O ASP A 25 9.525 6.498 -4.880 1.00 0.00 O ATOM 378 CB ASP A 25 9.588 4.779 -7.709 1.00 0.00 C ATOM 379 CG ASP A 25 9.469 6.266 -8.048 1.00 0.00 C ATOM 380 OD1 ASP A 25 9.988 7.069 -7.290 1.00 0.00 O ATOM 381 OD2 ASP A 25 8.860 6.576 -9.059 1.00 0.00 O ATOM 0 H ASP A 25 9.256 2.641 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 25 11.076 4.957 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.299 4.299 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.628 4.285 -7.855 1.00 0.00 H new ATOM 386 N ALA A 26 7.963 4.968 -5.073 1.00 0.00 N ATOM 387 CA ALA A 26 7.066 5.724 -4.177 1.00 0.00 C ATOM 388 C ALA A 26 7.593 5.543 -2.765 1.00 0.00 C ATOM 389 O ALA A 26 7.473 6.404 -1.922 1.00 0.00 O ATOM 390 CB ALA A 26 5.653 5.165 -4.282 1.00 0.00 C ATOM 0 H ALA A 26 7.586 4.091 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 26 7.037 6.780 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.991 5.723 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.301 5.257 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.655 4.114 -3.991 1.00 0.00 H new ATOM 396 N ASP A 27 8.188 4.415 -2.513 1.00 0.00 N ATOM 397 CA ASP A 27 8.747 4.150 -1.170 1.00 0.00 C ATOM 398 C ASP A 27 9.905 5.116 -0.905 1.00 0.00 C ATOM 399 O ASP A 27 10.017 5.696 0.155 1.00 0.00 O ATOM 400 CB ASP A 27 9.263 2.714 -1.137 1.00 0.00 C ATOM 401 CG ASP A 27 10.011 2.461 0.174 1.00 0.00 C ATOM 402 OD1 ASP A 27 11.062 3.052 0.355 1.00 0.00 O ATOM 403 OD2 ASP A 27 9.517 1.684 0.974 1.00 0.00 O ATOM 0 H ASP A 27 8.310 3.660 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 27 7.981 4.290 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.431 2.017 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.925 2.536 -1.984 1.00 0.00 H new ATOM 408 N LEU A 28 10.770 5.282 -1.867 1.00 0.00 N ATOM 409 CA LEU A 28 11.933 6.199 -1.681 1.00 0.00 C ATOM 410 C LEU A 28 11.461 7.656 -1.719 1.00 0.00 C ATOM 411 O LEU A 28 11.981 8.501 -1.017 1.00 0.00 O ATOM 412 CB LEU A 28 12.953 5.957 -2.805 1.00 0.00 C ATOM 413 CG LEU A 28 14.007 4.925 -2.365 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.975 5.557 -1.353 1.00 0.00 C ATOM 415 CD2 LEU A 28 13.318 3.709 -1.729 1.00 0.00 C ATOM 0 H LEU A 28 10.723 4.822 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 28 12.398 6.002 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.440 5.603 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.442 6.895 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 28 14.568 4.602 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.716 4.818 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.478 6.408 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.418 5.894 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.071 2.984 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.745 4.029 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.648 3.249 -2.455 1.00 0.00 H new ATOM 427 N ALA A 29 10.491 7.962 -2.534 1.00 0.00 N ATOM 428 CA ALA A 29 10.008 9.370 -2.608 1.00 0.00 C ATOM 429 C ALA A 29 9.168 9.694 -1.376 1.00 0.00 C ATOM 430 O ALA A 29 9.414 10.660 -0.687 1.00 0.00 O ATOM 431 CB ALA A 29 9.154 9.556 -3.854 1.00 0.00 C ATOM 0 H ALA A 29 10.014 7.303 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 29 10.869 10.037 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.803 10.587 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.749 9.332 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.298 8.883 -3.812 1.00 0.00 H new ATOM 437 N CYS A 30 8.177 8.899 -1.087 1.00 0.00 N ATOM 438 CA CYS A 30 7.340 9.179 0.104 1.00 0.00 C ATOM 439 C CYS A 30 8.227 9.111 1.344 1.00 0.00 C ATOM 440 O CYS A 30 7.862 9.566 2.408 1.00 0.00 O ATOM 441 CB CYS A 30 6.218 8.148 0.188 1.00 0.00 C ATOM 442 SG CYS A 30 5.083 8.406 -1.195 1.00 0.00 S ATOM 0 H CYS A 30 7.914 8.072 -1.623 1.00 0.00 H new ATOM 0 HA CYS A 30 6.892 10.170 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.630 7.139 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.687 8.245 1.135 1.00 0.00 H new ATOM 447 N GLN A 31 9.404 8.563 1.207 1.00 0.00 N ATOM 448 CA GLN A 31 10.326 8.493 2.371 1.00 0.00 C ATOM 449 C GLN A 31 10.962 9.868 2.562 1.00 0.00 C ATOM 450 O GLN A 31 11.339 10.245 3.654 1.00 0.00 O ATOM 451 CB GLN A 31 11.419 7.454 2.110 1.00 0.00 C ATOM 452 CG GLN A 31 12.478 7.536 3.211 1.00 0.00 C ATOM 453 CD GLN A 31 13.341 6.273 3.189 1.00 0.00 C ATOM 454 OE1 GLN A 31 14.171 6.074 4.054 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.176 5.403 2.230 1.00 0.00 N ATOM 0 H GLN A 31 9.764 8.162 0.341 1.00 0.00 H new ATOM 0 HA GLN A 31 9.775 8.203 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.985 6.454 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.877 7.630 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.102 8.418 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.998 7.644 4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.479 5.570 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.744 4.556 2.207 1.00 0.00 H new ATOM 464 N LYS A 32 11.078 10.627 1.504 1.00 0.00 N ATOM 465 CA LYS A 32 11.682 11.977 1.622 1.00 0.00 C ATOM 466 C LYS A 32 10.704 12.902 2.354 1.00 0.00 C ATOM 467 O LYS A 32 11.037 14.012 2.718 1.00 0.00 O ATOM 468 CB LYS A 32 11.993 12.528 0.221 1.00 0.00 C ATOM 469 CG LYS A 32 10.800 13.331 -0.314 1.00 0.00 C ATOM 470 CD LYS A 32 10.922 13.482 -1.833 1.00 0.00 C ATOM 471 CE LYS A 32 9.995 14.598 -2.315 1.00 0.00 C ATOM 472 NZ LYS A 32 10.584 15.920 -1.962 1.00 0.00 N ATOM 0 H LYS A 32 10.779 10.366 0.565 1.00 0.00 H new ATOM 0 HA LYS A 32 12.612 11.919 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.878 13.163 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.220 11.706 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.867 12.827 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.769 14.313 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.953 13.710 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.663 12.544 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.853 14.527 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.012 14.492 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.161 16.659 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.391 16.130 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.612 15.895 -2.118 1.00 0.00 H new ATOM 486 N ARG A 33 9.498 12.449 2.565 1.00 0.00 N ATOM 487 CA ARG A 33 8.491 13.290 3.267 1.00 0.00 C ATOM 488 C ARG A 33 8.746 13.232 4.772 1.00 0.00 C ATOM 489 O ARG A 33 9.374 12.314 5.260 1.00 0.00 O ATOM 490 CB ARG A 33 7.088 12.750 2.955 1.00 0.00 C ATOM 491 CG ARG A 33 6.507 13.483 1.741 1.00 0.00 C ATOM 492 CD ARG A 33 5.145 12.883 1.385 1.00 0.00 C ATOM 493 NE ARG A 33 4.766 13.297 0.005 1.00 0.00 N ATOM 494 CZ ARG A 33 3.903 12.592 -0.674 1.00 0.00 C ATOM 495 NH1 ARG A 33 4.026 11.295 -0.737 1.00 0.00 N ATOM 496 NH2 ARG A 33 2.918 13.185 -1.292 1.00 0.00 N ATOM 0 H ARG A 33 9.167 11.528 2.279 1.00 0.00 H new ATOM 0 HA ARG A 33 8.567 14.324 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.137 11.679 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.436 12.884 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.402 14.545 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.186 13.399 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.186 11.796 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.391 13.218 2.097 1.00 0.00 H new ATOM 0 HE ARG A 33 5.181 14.132 -0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.797 10.832 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.351 10.744 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.823 14.199 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.243 12.634 -1.823 1.00 0.00 H new ATOM 510 N PRO A 34 8.254 14.198 5.512 1.00 0.00 N ATOM 511 CA PRO A 34 8.444 14.209 6.984 1.00 0.00 C ATOM 512 C PRO A 34 8.111 12.846 7.594 1.00 0.00 C ATOM 513 O PRO A 34 7.034 12.622 8.107 1.00 0.00 O ATOM 514 CB PRO A 34 7.460 15.301 7.435 1.00 0.00 C ATOM 515 CG PRO A 34 6.768 15.878 6.189 1.00 0.00 C ATOM 516 CD PRO A 34 7.477 15.332 4.948 1.00 0.00 C ATOM 0 HA PRO A 34 9.470 14.405 7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.721 14.886 8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.988 16.088 7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.714 15.600 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.810 16.967 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.771 15.004 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.122 16.079 4.485 1.00 0.00 H new ATOM 524 N SER A 35 9.032 11.927 7.514 1.00 0.00 N ATOM 525 CA SER A 35 8.781 10.569 8.057 1.00 0.00 C ATOM 526 C SER A 35 7.672 9.911 7.241 1.00 0.00 C ATOM 527 O SER A 35 7.056 8.954 7.666 1.00 0.00 O ATOM 528 CB SER A 35 8.364 10.666 9.526 1.00 0.00 C ATOM 529 OG SER A 35 9.056 11.744 10.140 1.00 0.00 O ATOM 0 H SER A 35 9.951 12.062 7.093 1.00 0.00 H new ATOM 0 HA SER A 35 9.689 9.970 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.288 10.820 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.589 9.733 10.042 1.00 0.00 H new ATOM 0 HG SER A 35 8.790 11.810 11.081 1.00 0.00 H new ATOM 535 N GLY A 36 7.407 10.420 6.065 1.00 0.00 N ATOM 536 CA GLY A 36 6.332 9.823 5.228 1.00 0.00 C ATOM 537 C GLY A 36 6.828 8.532 4.571 1.00 0.00 C ATOM 538 O GLY A 36 7.963 8.134 4.733 1.00 0.00 O ATOM 0 H GLY A 36 7.888 11.219 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.457 9.614 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.021 10.533 4.462 1.00 0.00 H new ATOM 542 N ASN A 37 5.971 7.875 3.836 1.00 0.00 N ATOM 543 CA ASN A 37 6.356 6.601 3.157 1.00 0.00 C ATOM 544 C ASN A 37 5.073 5.899 2.696 1.00 0.00 C ATOM 545 O ASN A 37 4.044 6.022 3.330 1.00 0.00 O ATOM 546 CB ASN A 37 7.114 5.691 4.141 1.00 0.00 C ATOM 547 CG ASN A 37 8.615 5.727 3.841 1.00 0.00 C ATOM 548 OD1 ASN A 37 9.382 6.317 4.576 1.00 0.00 O ATOM 549 ND2 ASN A 37 9.070 5.110 2.785 1.00 0.00 N ATOM 0 H ASN A 37 5.008 8.170 3.675 1.00 0.00 H new ATOM 0 HA ASN A 37 7.003 6.812 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.932 6.018 5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.744 4.669 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.069 5.123 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.427 4.614 2.167 1.00 0.00 H new ATOM 556 N LEU A 38 5.120 5.175 1.600 1.00 0.00 N ATOM 557 CA LEU A 38 3.894 4.470 1.103 1.00 0.00 C ATOM 558 C LEU A 38 2.892 4.262 2.251 1.00 0.00 C ATOM 559 O LEU A 38 3.250 3.851 3.337 1.00 0.00 O ATOM 560 CB LEU A 38 4.293 3.114 0.519 1.00 0.00 C ATOM 561 CG LEU A 38 4.975 3.322 -0.833 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.659 2.023 -1.269 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.931 3.729 -1.878 1.00 0.00 C ATOM 0 H LEU A 38 5.955 5.042 1.029 1.00 0.00 H new ATOM 0 HA LEU A 38 3.422 5.080 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.966 2.596 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.412 2.484 0.401 1.00 0.00 H new ATOM 0 HG LEU A 38 5.722 4.111 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.145 2.173 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.405 1.738 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.915 1.232 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.419 3.877 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.181 2.943 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.449 4.657 -1.569 1.00 0.00 H new ATOM 575 N VAL A 39 1.644 4.563 2.010 1.00 0.00 N ATOM 576 CA VAL A 39 0.593 4.418 3.066 1.00 0.00 C ATOM 577 C VAL A 39 0.834 3.174 3.928 1.00 0.00 C ATOM 578 O VAL A 39 1.542 2.261 3.550 1.00 0.00 O ATOM 579 CB VAL A 39 -0.775 4.310 2.392 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.720 3.246 1.295 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.833 3.917 3.428 1.00 0.00 C ATOM 0 H VAL A 39 1.301 4.908 1.114 1.00 0.00 H new ATOM 0 HA VAL A 39 0.632 5.292 3.716 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.037 5.274 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.695 3.169 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.029 3.526 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.454 2.284 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.806 3.841 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.571 2.955 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.875 4.675 4.210 1.00 0.00 H new ATOM 591 N SER A 40 0.231 3.144 5.091 1.00 0.00 N ATOM 592 CA SER A 40 0.388 1.979 6.015 1.00 0.00 C ATOM 593 C SER A 40 -0.985 1.337 6.263 1.00 0.00 C ATOM 594 O SER A 40 -1.991 1.798 5.761 1.00 0.00 O ATOM 595 CB SER A 40 0.964 2.472 7.343 1.00 0.00 C ATOM 596 OG SER A 40 0.491 3.790 7.598 1.00 0.00 O ATOM 0 H SER A 40 -0.371 3.888 5.443 1.00 0.00 H new ATOM 0 HA SER A 40 1.058 1.243 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.668 1.804 8.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.053 2.465 7.306 1.00 0.00 H new ATOM 0 HG SER A 40 0.856 4.110 8.449 1.00 0.00 H new ATOM 602 N VAL A 41 -1.039 0.279 7.035 1.00 0.00 N ATOM 603 CA VAL A 41 -2.354 -0.379 7.311 1.00 0.00 C ATOM 604 C VAL A 41 -2.199 -1.353 8.492 1.00 0.00 C ATOM 605 O VAL A 41 -1.954 -2.527 8.308 1.00 0.00 O ATOM 606 CB VAL A 41 -2.845 -1.150 6.061 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.159 -0.548 5.565 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.811 -1.074 4.930 1.00 0.00 C ATOM 0 H VAL A 41 -0.233 -0.156 7.484 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.089 0.387 7.559 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.990 -2.193 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.500 -1.094 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.911 -0.619 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.004 0.499 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.179 -1.623 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.647 -0.032 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.872 -1.513 5.266 1.00 0.00 H new ATOM 618 N LEU A 42 -2.343 -0.874 9.703 1.00 0.00 N ATOM 619 CA LEU A 42 -2.205 -1.774 10.892 1.00 0.00 C ATOM 620 C LEU A 42 -3.542 -1.889 11.625 1.00 0.00 C ATOM 621 O LEU A 42 -3.603 -2.365 12.742 1.00 0.00 O ATOM 622 CB LEU A 42 -1.157 -1.207 11.852 1.00 0.00 C ATOM 623 CG LEU A 42 0.232 -1.343 11.232 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.216 -0.452 11.992 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.697 -2.799 11.319 1.00 0.00 C ATOM 0 H LEU A 42 -2.550 0.101 9.920 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.895 -2.761 10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.371 -0.159 12.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.195 -1.738 12.803 1.00 0.00 H new ATOM 0 HG LEU A 42 0.191 -1.038 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.208 -0.547 11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.890 0.586 11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.252 -0.759 13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.688 -2.891 10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.737 -3.106 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.003 -3.437 10.780 1.00 0.00 H new ATOM 637 N SER A 43 -4.617 -1.464 11.016 1.00 0.00 N ATOM 638 CA SER A 43 -5.941 -1.559 11.699 1.00 0.00 C ATOM 639 C SER A 43 -7.021 -1.943 10.685 1.00 0.00 C ATOM 640 O SER A 43 -6.953 -1.585 9.526 1.00 0.00 O ATOM 641 CB SER A 43 -6.289 -0.208 12.325 1.00 0.00 C ATOM 642 OG SER A 43 -5.997 0.828 11.395 1.00 0.00 O ATOM 0 H SER A 43 -4.637 -1.057 10.081 1.00 0.00 H new ATOM 0 HA SER A 43 -5.890 -2.321 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.344 -0.181 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.719 -0.061 13.242 1.00 0.00 H new ATOM 0 HG SER A 43 -6.098 1.699 11.833 1.00 0.00 H new ATOM 648 N GLY A 44 -8.019 -2.666 11.116 1.00 0.00 N ATOM 649 CA GLY A 44 -9.106 -3.069 10.182 1.00 0.00 C ATOM 650 C GLY A 44 -9.841 -1.820 9.697 1.00 0.00 C ATOM 651 O GLY A 44 -10.543 -1.845 8.706 1.00 0.00 O ATOM 0 H GLY A 44 -8.128 -2.995 12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.690 -3.613 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.801 -3.743 10.683 1.00 0.00 H new ATOM 655 N ALA A 45 -9.683 -0.726 10.391 1.00 0.00 N ATOM 656 CA ALA A 45 -10.367 0.530 9.972 1.00 0.00 C ATOM 657 C ALA A 45 -9.508 1.248 8.931 1.00 0.00 C ATOM 658 O ALA A 45 -10.013 1.881 8.026 1.00 0.00 O ATOM 659 CB ALA A 45 -10.555 1.437 11.189 1.00 0.00 C ATOM 0 H ALA A 45 -9.109 -0.648 11.231 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.340 0.292 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.055 2.356 10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.162 0.924 11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.582 1.678 11.617 1.00 0.00 H new ATOM 665 N GLU A 46 -8.212 1.156 9.054 1.00 0.00 N ATOM 666 CA GLU A 46 -7.321 1.831 8.071 1.00 0.00 C ATOM 667 C GLU A 46 -7.399 1.099 6.731 1.00 0.00 C ATOM 668 O GLU A 46 -7.429 1.708 5.683 1.00 0.00 O ATOM 669 CB GLU A 46 -5.879 1.805 8.587 1.00 0.00 C ATOM 670 CG GLU A 46 -5.694 2.892 9.649 1.00 0.00 C ATOM 671 CD GLU A 46 -4.391 2.645 10.411 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.750 1.643 10.141 1.00 0.00 O ATOM 673 OE2 GLU A 46 -4.054 3.465 11.249 1.00 0.00 O ATOM 0 H GLU A 46 -7.733 0.642 9.793 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.639 2.865 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.651 0.827 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.184 1.966 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.672 3.875 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.538 2.888 10.339 1.00 0.00 H new ATOM 680 N GLY A 47 -7.433 -0.203 6.753 1.00 0.00 N ATOM 681 CA GLY A 47 -7.512 -0.964 5.473 1.00 0.00 C ATOM 682 C GLY A 47 -8.812 -0.612 4.751 1.00 0.00 C ATOM 683 O GLY A 47 -8.868 -0.565 3.537 1.00 0.00 O ATOM 0 H GLY A 47 -7.410 -0.773 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.656 -0.724 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.472 -2.035 5.671 1.00 0.00 H new ATOM 687 N SER A 48 -9.861 -0.358 5.485 1.00 0.00 N ATOM 688 CA SER A 48 -11.156 -0.004 4.839 1.00 0.00 C ATOM 689 C SER A 48 -11.161 1.489 4.507 1.00 0.00 C ATOM 690 O SER A 48 -11.736 1.916 3.527 1.00 0.00 O ATOM 691 CB SER A 48 -12.305 -0.318 5.798 1.00 0.00 C ATOM 692 OG SER A 48 -13.440 0.461 5.440 1.00 0.00 O ATOM 0 H SER A 48 -9.877 -0.380 6.505 1.00 0.00 H new ATOM 0 HA SER A 48 -11.280 -0.583 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.550 -1.379 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.008 -0.100 6.824 1.00 0.00 H new ATOM 0 HG SER A 48 -14.180 0.262 6.051 1.00 0.00 H new ATOM 698 N PHE A 49 -10.520 2.284 5.319 1.00 0.00 N ATOM 699 CA PHE A 49 -10.485 3.750 5.054 1.00 0.00 C ATOM 700 C PHE A 49 -9.609 4.023 3.828 1.00 0.00 C ATOM 701 O PHE A 49 -9.995 4.745 2.930 1.00 0.00 O ATOM 702 CB PHE A 49 -9.905 4.475 6.270 1.00 0.00 C ATOM 703 CG PHE A 49 -10.185 5.953 6.155 1.00 0.00 C ATOM 704 CD1 PHE A 49 -9.341 6.768 5.392 1.00 0.00 C ATOM 705 CD2 PHE A 49 -11.289 6.510 6.811 1.00 0.00 C ATOM 706 CE1 PHE A 49 -9.602 8.139 5.283 1.00 0.00 C ATOM 707 CE2 PHE A 49 -11.550 7.882 6.703 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.706 8.697 5.939 1.00 0.00 C ATOM 0 H PHE A 49 -10.019 1.982 6.155 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.496 4.111 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.345 4.081 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.831 4.301 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.488 6.339 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.940 5.882 7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.951 8.767 4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -12.402 8.311 7.209 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.906 9.755 5.856 1.00 0.00 H new ATOM 718 N VAL A 50 -8.436 3.451 3.782 1.00 0.00 N ATOM 719 CA VAL A 50 -7.546 3.682 2.609 1.00 0.00 C ATOM 720 C VAL A 50 -8.261 3.206 1.345 1.00 0.00 C ATOM 721 O VAL A 50 -8.193 3.834 0.308 1.00 0.00 O ATOM 722 CB VAL A 50 -6.237 2.905 2.782 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.299 3.224 1.613 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.563 3.313 4.098 1.00 0.00 C ATOM 0 H VAL A 50 -8.057 2.837 4.503 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.316 4.745 2.530 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.452 1.837 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.367 2.672 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.774 2.934 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.088 4.293 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.632 2.758 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.349 4.382 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.228 3.089 4.932 1.00 0.00 H new ATOM 734 N SER A 51 -8.948 2.099 1.425 1.00 0.00 N ATOM 735 CA SER A 51 -9.670 1.584 0.230 1.00 0.00 C ATOM 736 C SER A 51 -10.632 2.657 -0.285 1.00 0.00 C ATOM 737 O SER A 51 -10.688 2.937 -1.463 1.00 0.00 O ATOM 738 CB SER A 51 -10.461 0.332 0.613 1.00 0.00 C ATOM 739 OG SER A 51 -11.573 0.193 -0.261 1.00 0.00 O ATOM 0 H SER A 51 -9.040 1.530 2.267 1.00 0.00 H new ATOM 0 HA SER A 51 -8.951 1.335 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.822 -0.549 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.802 0.405 1.646 1.00 0.00 H new ATOM 0 HG SER A 51 -11.649 -0.741 -0.548 1.00 0.00 H new ATOM 745 N SER A 52 -11.389 3.259 0.592 1.00 0.00 N ATOM 746 CA SER A 52 -12.352 4.312 0.155 1.00 0.00 C ATOM 747 C SER A 52 -11.586 5.541 -0.343 1.00 0.00 C ATOM 748 O SER A 52 -12.098 6.331 -1.112 1.00 0.00 O ATOM 749 CB SER A 52 -13.239 4.710 1.335 1.00 0.00 C ATOM 750 OG SER A 52 -14.361 5.436 0.854 1.00 0.00 O ATOM 0 H SER A 52 -11.383 3.067 1.594 1.00 0.00 H new ATOM 0 HA SER A 52 -12.970 3.921 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.570 3.821 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.673 5.318 2.041 1.00 0.00 H new ATOM 0 HG SER A 52 -14.933 5.692 1.608 1.00 0.00 H new ATOM 756 N LEU A 53 -10.367 5.710 0.086 1.00 0.00 N ATOM 757 CA LEU A 53 -9.572 6.888 -0.361 1.00 0.00 C ATOM 758 C LEU A 53 -9.069 6.637 -1.783 1.00 0.00 C ATOM 759 O LEU A 53 -8.763 7.557 -2.514 1.00 0.00 O ATOM 760 CB LEU A 53 -8.385 7.074 0.600 1.00 0.00 C ATOM 761 CG LEU A 53 -7.258 7.879 -0.061 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.719 9.319 -0.299 1.00 0.00 C ATOM 763 CD2 LEU A 53 -6.041 7.894 0.866 1.00 0.00 C ATOM 0 H LEU A 53 -9.885 5.081 0.729 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.185 7.789 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.720 7.586 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.007 6.099 0.908 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.998 7.418 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.915 9.886 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.592 9.318 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.979 9.780 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.237 8.465 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.312 8.356 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.706 6.872 1.043 1.00 0.00 H new ATOM 775 N VAL A 54 -8.971 5.395 -2.171 1.00 0.00 N ATOM 776 CA VAL A 54 -8.472 5.067 -3.538 1.00 0.00 C ATOM 777 C VAL A 54 -9.537 4.283 -4.312 1.00 0.00 C ATOM 778 O VAL A 54 -9.252 3.649 -5.308 1.00 0.00 O ATOM 779 CB VAL A 54 -7.200 4.228 -3.403 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.179 4.998 -2.566 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.524 2.905 -2.702 1.00 0.00 C ATOM 0 H VAL A 54 -9.216 4.588 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.256 5.985 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.795 4.024 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.270 4.405 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.944 5.943 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.594 5.196 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.615 2.311 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.929 3.108 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.259 2.353 -3.288 1.00 0.00 H new ATOM 791 N LYS A 55 -10.761 4.317 -3.859 1.00 0.00 N ATOM 792 CA LYS A 55 -11.844 3.572 -4.565 1.00 0.00 C ATOM 793 C LYS A 55 -12.441 4.446 -5.673 1.00 0.00 C ATOM 794 O LYS A 55 -13.130 3.963 -6.550 1.00 0.00 O ATOM 795 CB LYS A 55 -12.941 3.208 -3.560 1.00 0.00 C ATOM 796 CG LYS A 55 -14.087 2.489 -4.280 1.00 0.00 C ATOM 797 CD LYS A 55 -15.083 1.939 -3.249 1.00 0.00 C ATOM 798 CE LYS A 55 -14.642 0.546 -2.791 1.00 0.00 C ATOM 799 NZ LYS A 55 -14.990 -0.456 -3.838 1.00 0.00 N ATOM 0 H LYS A 55 -11.059 4.829 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.430 2.666 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.533 2.568 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.314 4.109 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.593 3.178 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.693 1.675 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.142 2.611 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.081 1.889 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.568 0.536 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.130 0.289 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.277 -1.347 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.774 -0.094 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.162 -0.627 -4.444 1.00 0.00 H new ATOM 896 N SER A 62 -6.801 -0.146 -11.511 1.00 0.00 N ATOM 897 CA SER A 62 -7.503 -1.157 -10.673 1.00 0.00 C ATOM 898 C SER A 62 -6.669 -1.473 -9.436 1.00 0.00 C ATOM 899 O SER A 62 -7.197 -1.764 -8.388 1.00 0.00 O ATOM 900 CB SER A 62 -7.703 -2.435 -11.491 1.00 0.00 C ATOM 901 OG SER A 62 -8.854 -2.289 -12.313 1.00 0.00 O ATOM 0 HA SER A 62 -8.470 -0.761 -10.361 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.824 -2.628 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.822 -3.291 -10.827 1.00 0.00 H new ATOM 0 HG SER A 62 -8.985 -3.105 -12.840 1.00 0.00 H new ATOM 907 N TYR A 63 -5.371 -1.429 -9.542 1.00 0.00 N ATOM 908 CA TYR A 63 -4.533 -1.750 -8.349 1.00 0.00 C ATOM 909 C TYR A 63 -3.846 -0.490 -7.818 1.00 0.00 C ATOM 910 O TYR A 63 -3.787 0.530 -8.474 1.00 0.00 O ATOM 911 CB TYR A 63 -3.481 -2.793 -8.724 1.00 0.00 C ATOM 912 CG TYR A 63 -4.129 -4.155 -8.820 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.122 -4.393 -9.778 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.738 -5.180 -7.950 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.721 -5.654 -9.867 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.336 -6.443 -8.041 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.327 -6.679 -8.998 1.00 0.00 C ATOM 918 OH TYR A 63 -5.919 -7.924 -9.087 1.00 0.00 O ATOM 0 H TYR A 63 -4.857 -1.188 -10.390 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.179 -2.149 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.018 -2.531 -9.676 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.687 -2.809 -7.977 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.426 -3.603 -10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.975 -4.996 -7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.487 -5.837 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.032 -7.234 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.683 -7.967 -8.475 1.00 0.00 H new ATOM 928 N VAL A 64 -3.337 -0.563 -6.615 1.00 0.00 N ATOM 929 CA VAL A 64 -2.661 0.619 -6.000 1.00 0.00 C ATOM 930 C VAL A 64 -1.452 0.138 -5.187 1.00 0.00 C ATOM 931 O VAL A 64 -1.483 -0.910 -4.581 1.00 0.00 O ATOM 932 CB VAL A 64 -3.672 1.317 -5.083 1.00 0.00 C ATOM 933 CG1 VAL A 64 -3.060 2.574 -4.472 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.910 1.698 -5.897 1.00 0.00 C ATOM 0 H VAL A 64 -3.361 -1.397 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.315 1.313 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.949 0.636 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.791 3.057 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.180 2.303 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.770 3.261 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.632 2.195 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.622 2.372 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.359 0.799 -6.319 1.00 0.00 H new ATOM 944 N TRP A 65 -0.381 0.888 -5.175 1.00 0.00 N ATOM 945 CA TRP A 65 0.821 0.449 -4.401 1.00 0.00 C ATOM 946 C TRP A 65 0.675 0.881 -2.936 1.00 0.00 C ATOM 947 O TRP A 65 0.136 1.929 -2.644 1.00 0.00 O ATOM 948 CB TRP A 65 2.083 1.119 -4.974 1.00 0.00 C ATOM 949 CG TRP A 65 2.868 0.199 -5.865 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.519 0.613 -6.975 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.128 -1.239 -5.756 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.152 -0.463 -7.559 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.937 -1.626 -6.854 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.748 -2.239 -4.839 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.349 -2.943 -7.033 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.163 -3.568 -5.021 1.00 0.00 C ATOM 957 CH2 TRP A 65 3.961 -3.918 -6.116 1.00 0.00 C ATOM 0 H TRP A 65 -0.285 1.779 -5.663 1.00 0.00 H new ATOM 0 HA TRP A 65 0.906 -0.635 -4.471 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.795 2.007 -5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.717 1.454 -4.153 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.540 1.627 -7.346 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.712 -0.405 -8.410 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.133 -1.981 -3.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.966 -3.208 -7.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.864 -4.325 -4.311 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.276 -4.942 -6.250 1.00 0.00 H new ATOM 968 N ILE A 66 1.186 0.101 -2.016 1.00 0.00 N ATOM 969 CA ILE A 66 1.117 0.491 -0.579 1.00 0.00 C ATOM 970 C ILE A 66 2.485 0.214 0.052 1.00 0.00 C ATOM 971 O ILE A 66 3.375 -0.308 -0.590 1.00 0.00 O ATOM 972 CB ILE A 66 0.028 -0.307 0.151 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.152 -1.795 -0.190 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.359 0.209 -0.271 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.896 -2.586 0.600 1.00 0.00 C ATOM 0 H ILE A 66 1.648 -0.789 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 66 0.865 1.548 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 66 0.151 -0.178 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.009 -1.948 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.153 -2.153 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.132 -0.358 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.449 1.264 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.481 0.087 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.810 -3.646 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.732 -2.442 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.893 -2.234 0.336 1.00 0.00 H new ATOM 987 N GLY A 67 2.677 0.582 1.286 1.00 0.00 N ATOM 988 CA GLY A 67 3.994 0.369 1.933 1.00 0.00 C ATOM 989 C GLY A 67 4.085 -1.028 2.527 1.00 0.00 C ATOM 990 O GLY A 67 4.296 -1.188 3.705 1.00 0.00 O ATOM 0 H GLY A 67 1.972 1.024 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.790 0.511 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.144 1.112 2.716 1.00 0.00 H new ATOM 994 N LEU A 68 3.948 -2.037 1.719 1.00 0.00 N ATOM 995 CA LEU A 68 4.067 -3.428 2.240 1.00 0.00 C ATOM 996 C LEU A 68 5.013 -4.212 1.333 1.00 0.00 C ATOM 997 O LEU A 68 4.886 -4.189 0.125 1.00 0.00 O ATOM 998 CB LEU A 68 2.697 -4.109 2.265 1.00 0.00 C ATOM 999 CG LEU A 68 2.646 -5.145 3.402 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.888 -6.036 3.366 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.588 -4.441 4.762 1.00 0.00 C ATOM 0 H LEU A 68 3.759 -1.962 0.720 1.00 0.00 H new ATOM 0 HA LEU A 68 4.457 -3.401 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.914 -3.364 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.506 -4.596 1.309 1.00 0.00 H new ATOM 0 HG LEU A 68 1.752 -5.753 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.837 -6.764 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.933 -6.559 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.780 -5.421 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.552 -5.187 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.474 -3.819 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.696 -3.816 4.811 1.00 0.00 H new ATOM 1013 N HIS A 69 5.961 -4.909 1.900 1.00 0.00 N ATOM 1014 CA HIS A 69 6.906 -5.693 1.061 1.00 0.00 C ATOM 1015 C HIS A 69 7.242 -7.000 1.754 1.00 0.00 C ATOM 1016 O HIS A 69 6.737 -7.304 2.815 1.00 0.00 O ATOM 1017 CB HIS A 69 8.189 -4.890 0.828 1.00 0.00 C ATOM 1018 CG HIS A 69 8.933 -4.754 2.122 1.00 0.00 C ATOM 1019 ND1 HIS A 69 10.177 -5.329 2.329 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.616 -4.116 3.290 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.557 -5.027 3.584 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.641 -4.288 4.214 1.00 0.00 N ATOM 0 H HIS A 69 6.120 -4.968 2.906 1.00 0.00 H new ATOM 0 HA HIS A 69 6.437 -5.903 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.814 -5.389 0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.947 -3.905 0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.706 -3.562 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.489 -5.344 4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.684 -3.927 5.167 1.00 0.00 H new ATOM 1180 N TRP A 82 6.082 -10.561 5.628 1.00 0.00 N ATOM 1181 CA TRP A 82 5.626 -9.276 5.016 1.00 0.00 C ATOM 1182 C TRP A 82 5.610 -8.172 6.081 1.00 0.00 C ATOM 1183 O TRP A 82 4.964 -8.300 7.103 1.00 0.00 O ATOM 1184 CB TRP A 82 4.213 -9.459 4.435 1.00 0.00 C ATOM 1185 CG TRP A 82 3.856 -10.911 4.406 1.00 0.00 C ATOM 1186 CD1 TRP A 82 4.524 -11.864 3.718 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.756 -11.589 5.081 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.906 -13.084 3.926 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.811 -12.966 4.759 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.727 -11.147 5.932 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.878 -13.873 5.265 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.788 -12.057 6.442 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.863 -13.416 6.110 1.00 0.00 C ATOM 0 HA TRP A 82 6.312 -8.991 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.489 -8.910 5.037 1.00 0.00 H new ATOM 0 HB3 TRP A 82 4.169 -9.045 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.398 -11.700 3.105 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.221 -13.963 3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.659 -10.102 6.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.940 -14.920 5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.002 -11.707 7.095 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.137 -14.110 6.507 1.00 0.00 H new ATOM 1204 N GLU A 83 6.318 -7.087 5.856 1.00 0.00 N ATOM 1205 CA GLU A 83 6.334 -5.985 6.868 1.00 0.00 C ATOM 1206 C GLU A 83 5.996 -4.659 6.184 1.00 0.00 C ATOM 1207 O GLU A 83 6.304 -4.454 5.029 1.00 0.00 O ATOM 1208 CB GLU A 83 7.728 -5.897 7.502 1.00 0.00 C ATOM 1209 CG GLU A 83 7.619 -5.305 8.908 1.00 0.00 C ATOM 1210 CD GLU A 83 8.989 -4.793 9.358 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.673 -4.194 8.543 1.00 0.00 O ATOM 1212 OE2 GLU A 83 9.333 -5.008 10.509 1.00 0.00 O ATOM 0 H GLU A 83 6.880 -6.920 5.022 1.00 0.00 H new ATOM 0 HA GLU A 83 5.595 -6.190 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.180 -6.888 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.380 -5.278 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.895 -4.490 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.255 -6.061 9.604 1.00 0.00 H new ATOM 1219 N TRP A 84 5.365 -3.751 6.884 1.00 0.00 N ATOM 1220 CA TRP A 84 5.016 -2.451 6.263 1.00 0.00 C ATOM 1221 C TRP A 84 6.242 -1.548 6.273 1.00 0.00 C ATOM 1222 O TRP A 84 6.933 -1.430 7.266 1.00 0.00 O ATOM 1223 CB TRP A 84 3.884 -1.776 7.045 1.00 0.00 C ATOM 1224 CG TRP A 84 3.130 -2.800 7.828 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.592 -3.431 8.930 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.790 -3.317 7.592 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.627 -4.312 9.377 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.497 -4.279 8.584 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.812 -3.049 6.619 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.278 -4.956 8.610 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.416 -3.727 6.641 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.682 -4.681 7.634 1.00 0.00 C ATOM 0 H TRP A 84 5.079 -3.859 7.857 1.00 0.00 H new ATOM 0 HA TRP A 84 4.685 -2.622 5.239 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.293 -1.021 7.716 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.211 -1.262 6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.558 -3.272 9.386 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.736 -4.914 10.193 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.007 -2.317 5.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.078 -5.687 9.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.161 -3.513 5.889 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.628 -5.202 7.644 1.00 0.00 H new ATOM 1243 N SER A 85 6.513 -0.902 5.179 1.00 0.00 N ATOM 1244 CA SER A 85 7.688 -0.001 5.134 1.00 0.00 C ATOM 1245 C SER A 85 7.292 1.359 5.694 1.00 0.00 C ATOM 1246 O SER A 85 8.086 2.279 5.740 1.00 0.00 O ATOM 1247 CB SER A 85 8.173 0.150 3.692 1.00 0.00 C ATOM 1248 OG SER A 85 8.919 1.355 3.571 1.00 0.00 O ATOM 0 H SER A 85 5.972 -0.959 4.316 1.00 0.00 H new ATOM 0 HA SER A 85 8.496 -0.422 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.791 -0.703 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.323 0.165 3.010 1.00 0.00 H new ATOM 0 HG SER A 85 9.016 1.586 2.624 1.00 0.00 H new ATOM 1288 N VAL A 89 5.284 -3.344 12.212 1.00 0.00 N ATOM 1289 CA VAL A 89 5.358 -4.827 12.074 1.00 0.00 C ATOM 1290 C VAL A 89 3.993 -5.365 11.645 1.00 0.00 C ATOM 1291 O VAL A 89 2.983 -4.705 11.785 1.00 0.00 O ATOM 1292 CB VAL A 89 5.749 -5.444 13.419 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.638 -5.189 14.440 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.948 -6.953 13.250 1.00 0.00 C ATOM 0 HA VAL A 89 6.105 -5.087 11.324 1.00 0.00 H new ATOM 0 HB VAL A 89 6.676 -4.991 13.770 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.916 -5.628 15.398 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.495 -4.115 14.561 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.711 -5.641 14.089 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.227 -7.393 14.208 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.020 -7.405 12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.739 -7.136 12.523 1.00 0.00 H new ATOM 1304 N MET A 90 3.954 -6.557 11.118 1.00 0.00 N ATOM 1305 CA MET A 90 2.657 -7.137 10.675 1.00 0.00 C ATOM 1306 C MET A 90 1.701 -7.256 11.866 1.00 0.00 C ATOM 1307 O MET A 90 1.602 -8.296 12.485 1.00 0.00 O ATOM 1308 CB MET A 90 2.903 -8.525 10.073 1.00 0.00 C ATOM 1309 CG MET A 90 1.742 -8.899 9.148 1.00 0.00 C ATOM 1310 SD MET A 90 1.719 -10.693 8.903 1.00 0.00 S ATOM 1311 CE MET A 90 0.639 -11.101 10.296 1.00 0.00 C ATOM 0 H MET A 90 4.767 -7.156 10.975 1.00 0.00 H new ATOM 0 HA MET A 90 2.209 -6.485 9.925 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.840 -8.530 9.516 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.000 -9.265 10.868 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.798 -8.568 9.580 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.849 -8.392 8.189 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.487 -12.180 10.335 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.101 -10.766 11.225 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.322 -10.604 10.169 1.00 0.00 H new ATOM 1321 N ASN A 91 0.979 -6.209 12.179 1.00 0.00 N ATOM 1322 CA ASN A 91 0.016 -6.287 13.315 1.00 0.00 C ATOM 1323 C ASN A 91 -1.383 -6.466 12.737 1.00 0.00 C ATOM 1324 O ASN A 91 -2.314 -6.833 13.428 1.00 0.00 O ATOM 1325 CB ASN A 91 0.079 -4.999 14.148 1.00 0.00 C ATOM 1326 CG ASN A 91 -0.201 -5.322 15.618 1.00 0.00 C ATOM 1327 OD1 ASN A 91 0.712 -5.430 16.413 1.00 0.00 O ATOM 1328 ND2 ASN A 91 -1.434 -5.479 16.015 1.00 0.00 N ATOM 0 H ASN A 91 1.016 -5.310 11.699 1.00 0.00 H new ATOM 0 HA ASN A 91 0.267 -7.126 13.964 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.061 -4.537 14.048 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.651 -4.279 13.778 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.632 -5.692 16.993 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.200 -5.388 15.348 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.530 -6.219 11.459 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.858 -6.382 10.804 1.00 0.00 C ATOM 1337 C TYR A 92 -2.712 -7.331 9.612 1.00 0.00 C ATOM 1338 O TYR A 92 -1.650 -7.447 9.033 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.367 -5.022 10.325 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.712 -5.184 9.650 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.786 -5.754 10.347 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.884 -4.765 8.324 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.028 -5.905 9.718 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.126 -4.915 7.697 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.197 -5.486 8.394 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.422 -5.635 7.775 1.00 0.00 O ATOM 0 H TYR A 92 -0.780 -5.910 10.840 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.572 -6.796 11.516 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.454 -4.339 11.170 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.652 -4.581 9.630 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.656 -6.077 11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.057 -4.326 7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.855 -6.345 10.255 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.258 -4.590 6.675 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.369 -5.292 6.858 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.763 -8.016 9.244 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.673 -8.964 8.091 1.00 0.00 C ATOM 1358 C PHE A 93 -4.886 -8.787 7.174 1.00 0.00 C ATOM 1359 O PHE A 93 -5.992 -8.563 7.625 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.641 -10.400 8.622 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.610 -10.532 9.772 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -5.976 -10.709 9.520 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -4.143 -10.475 11.091 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -6.875 -10.830 10.587 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -5.042 -10.597 12.158 1.00 0.00 C ATOM 1366 CZ PHE A 93 -6.408 -10.774 11.906 1.00 0.00 C ATOM 0 H PHE A 93 -4.679 -7.961 9.690 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.765 -8.759 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.905 -11.099 7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.633 -10.656 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.336 -10.752 8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.090 -10.337 11.285 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -7.929 -10.967 10.393 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.682 -10.555 13.175 1.00 0.00 H new ATOM 0 HZ PHE A 93 -7.101 -10.867 12.729 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.687 -8.896 5.887 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.827 -8.742 4.937 1.00 0.00 C ATOM 1378 C ALA A 94 -5.366 -9.097 3.518 1.00 0.00 C ATOM 1379 O ALA A 94 -5.933 -8.649 2.543 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.329 -7.292 4.970 1.00 0.00 C ATOM 0 H ALA A 94 -3.784 -9.085 5.453 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.636 -9.411 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.162 -7.179 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.661 -7.045 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.521 -6.621 4.679 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.343 -9.900 3.396 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.851 -10.283 2.042 1.00 0.00 C ATOM 1388 C TRP A 95 -4.846 -11.247 1.389 1.00 0.00 C ATOM 1389 O TRP A 95 -5.592 -11.932 2.059 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.487 -10.967 2.169 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.458 -11.791 3.417 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -1.949 -11.387 4.603 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -2.947 -13.148 3.623 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -2.095 -12.409 5.525 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -2.706 -13.517 4.967 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.571 -14.087 2.781 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.070 -14.770 5.460 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -3.939 -15.350 3.273 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -3.688 -15.690 4.610 1.00 0.00 C ATOM 0 H TRP A 95 -3.827 -10.307 4.176 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.754 -9.389 1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.302 -11.598 1.299 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.694 -10.219 2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.501 -10.424 4.799 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.790 -12.352 6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.768 -13.835 1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.876 -15.027 6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.418 -16.063 2.618 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.972 -16.663 4.982 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.860 -11.307 0.085 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.802 -12.229 -0.610 1.00 0.00 C ATOM 1412 C GLU A 96 -5.285 -13.665 -0.489 1.00 0.00 C ATOM 1413 O GLU A 96 -6.035 -14.587 -0.237 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.898 -11.844 -2.088 1.00 0.00 C ATOM 1415 CG GLU A 96 -7.147 -12.479 -2.703 1.00 0.00 C ATOM 1416 CD GLU A 96 -7.226 -12.120 -4.188 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -6.190 -12.122 -4.834 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -8.319 -11.848 -4.655 1.00 0.00 O ATOM 0 H GLU A 96 -4.259 -10.757 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.789 -12.155 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.941 -10.760 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.008 -12.179 -2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.114 -13.562 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.039 -12.127 -2.185 1.00 0.00 H new ATOM 1564 N HIS A 107 7.706 -9.022 -4.286 1.00 0.00 N ATOM 1565 CA HIS A 107 8.123 -8.662 -2.901 1.00 0.00 C ATOM 1566 C HIS A 107 7.416 -7.371 -2.480 1.00 0.00 C ATOM 1567 O HIS A 107 7.870 -6.657 -1.610 1.00 0.00 O ATOM 1568 CB HIS A 107 9.646 -8.469 -2.846 1.00 0.00 C ATOM 1569 CG HIS A 107 10.301 -9.299 -3.917 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.680 -10.612 -3.705 1.00 0.00 N ATOM 1571 CD2 HIS A 107 10.648 -9.018 -5.215 1.00 0.00 C ATOM 1572 CE1 HIS A 107 11.229 -11.061 -4.848 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.233 -10.129 -5.799 1.00 0.00 N ATOM 0 HA HIS A 107 7.847 -9.465 -2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.894 -7.417 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.024 -8.759 -1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.488 -8.070 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.620 -12.059 -4.979 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.589 -10.215 -6.751 1.00 0.00 H new ATOM 1581 N CYS A 108 6.301 -7.068 -3.093 1.00 0.00 N ATOM 1582 CA CYS A 108 5.554 -5.829 -2.730 1.00 0.00 C ATOM 1583 C CYS A 108 4.051 -6.101 -2.828 1.00 0.00 C ATOM 1584 O CYS A 108 3.611 -6.894 -3.635 1.00 0.00 O ATOM 1585 CB CYS A 108 5.939 -4.699 -3.686 1.00 0.00 C ATOM 1586 SG CYS A 108 7.621 -4.152 -3.314 1.00 0.00 S ATOM 0 H CYS A 108 5.875 -7.628 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 108 5.805 -5.534 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.876 -5.043 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.242 -3.867 -3.584 1.00 0.00 H new ATOM 1591 N ALA A 109 3.260 -5.459 -2.005 1.00 0.00 N ATOM 1592 CA ALA A 109 1.784 -5.697 -2.041 1.00 0.00 C ATOM 1593 C ALA A 109 1.051 -4.450 -2.546 1.00 0.00 C ATOM 1594 O ALA A 109 1.472 -3.326 -2.331 1.00 0.00 O ATOM 1595 CB ALA A 109 1.290 -6.047 -0.632 1.00 0.00 C ATOM 0 H ALA A 109 3.572 -4.781 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 109 1.577 -6.523 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.214 -6.221 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.795 -6.947 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.509 -5.222 0.046 1.00 0.00 H new ATOM 1601 N SER A 110 -0.055 -4.654 -3.212 1.00 0.00 N ATOM 1602 CA SER A 110 -0.856 -3.515 -3.747 1.00 0.00 C ATOM 1603 C SER A 110 -2.339 -3.797 -3.485 1.00 0.00 C ATOM 1604 O SER A 110 -2.722 -4.916 -3.214 1.00 0.00 O ATOM 1605 CB SER A 110 -0.618 -3.390 -5.256 1.00 0.00 C ATOM 1606 OG SER A 110 -0.400 -4.683 -5.805 1.00 0.00 O ATOM 0 H SER A 110 -0.443 -5.576 -3.411 1.00 0.00 H new ATOM 0 HA SER A 110 -0.560 -2.586 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.477 -2.919 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.243 -2.750 -5.448 1.00 0.00 H new ATOM 0 HG SER A 110 -0.354 -4.620 -6.782 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.178 -2.802 -3.573 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.632 -3.035 -3.337 1.00 0.00 C ATOM 1614 C LEU A 111 -5.276 -3.453 -4.658 1.00 0.00 C ATOM 1615 O LEU A 111 -5.080 -2.825 -5.673 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.291 -1.746 -2.832 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.683 -1.332 -1.477 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.273 0.144 -1.512 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.720 -1.525 -0.368 1.00 0.00 C ATOM 0 H LEU A 111 -2.922 -1.841 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.765 -3.816 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.151 -0.948 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.365 -1.896 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.807 -1.951 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.845 0.426 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.533 0.298 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.149 0.760 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.288 -1.232 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.594 -0.908 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.017 -2.573 -0.326 1.00 0.00 H new ATOM 1631 N SER A 112 -6.032 -4.515 -4.654 1.00 0.00 N ATOM 1632 CA SER A 112 -6.679 -4.986 -5.917 1.00 0.00 C ATOM 1633 C SER A 112 -8.118 -4.474 -5.995 1.00 0.00 C ATOM 1634 O SER A 112 -8.927 -4.735 -5.125 1.00 0.00 O ATOM 1635 CB SER A 112 -6.689 -6.515 -5.933 1.00 0.00 C ATOM 1636 OG SER A 112 -7.184 -6.968 -7.187 1.00 0.00 O ATOM 0 H SER A 112 -6.232 -5.081 -3.829 1.00 0.00 H new ATOM 0 HA SER A 112 -6.118 -4.605 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.682 -6.899 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.313 -6.895 -5.124 1.00 0.00 H new ATOM 0 HG SER A 112 -6.767 -6.453 -7.909 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.447 -3.750 -7.031 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.839 -3.229 -7.162 1.00 0.00 C ATOM 1644 C ARG A 113 -10.822 -4.401 -7.217 1.00 0.00 C ATOM 1645 O ARG A 113 -11.910 -4.337 -6.679 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.958 -2.400 -8.449 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.435 -2.094 -8.752 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.957 -3.054 -9.827 1.00 0.00 C ATOM 1649 NE ARG A 113 -13.447 -3.099 -9.769 1.00 0.00 N ATOM 1650 CZ ARG A 113 -14.045 -3.975 -9.007 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -14.188 -5.206 -9.417 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -14.502 -3.619 -7.838 1.00 0.00 N ATOM 0 H ARG A 113 -7.814 -3.497 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.072 -2.600 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.401 -1.469 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.514 -2.944 -9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.030 -2.193 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.540 -1.063 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.630 -2.725 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.546 -4.051 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.999 -2.445 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.833 -5.483 -10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.655 -5.891 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.392 -2.656 -7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.969 -4.303 -7.243 1.00 0.00 H new ATOM 1666 N SER A 114 -10.453 -5.471 -7.869 1.00 0.00 N ATOM 1667 CA SER A 114 -11.372 -6.641 -7.963 1.00 0.00 C ATOM 1668 C SER A 114 -11.740 -7.123 -6.557 1.00 0.00 C ATOM 1669 O SER A 114 -12.627 -7.936 -6.385 1.00 0.00 O ATOM 1670 CB SER A 114 -10.680 -7.774 -8.723 1.00 0.00 C ATOM 1671 OG SER A 114 -10.624 -7.446 -10.105 1.00 0.00 O ATOM 0 H SER A 114 -9.556 -5.585 -8.340 1.00 0.00 H new ATOM 0 HA SER A 114 -12.278 -6.345 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.674 -7.928 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.223 -8.708 -8.581 1.00 0.00 H new ATOM 0 HG SER A 114 -10.180 -8.169 -10.595 1.00 0.00 H new ATOM 1677 N THR A 115 -11.067 -6.628 -5.552 1.00 0.00 N ATOM 1678 CA THR A 115 -11.372 -7.056 -4.154 1.00 0.00 C ATOM 1679 C THR A 115 -11.819 -5.841 -3.337 1.00 0.00 C ATOM 1680 O THR A 115 -11.641 -5.789 -2.136 1.00 0.00 O ATOM 1681 CB THR A 115 -10.117 -7.660 -3.522 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.109 -6.664 -3.424 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.612 -8.819 -4.385 1.00 0.00 C ATOM 0 H THR A 115 -10.316 -5.943 -5.639 1.00 0.00 H new ATOM 0 HA THR A 115 -12.168 -7.801 -4.166 1.00 0.00 H new ATOM 0 HB THR A 115 -10.357 -8.032 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.198 -6.034 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.718 -9.247 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.385 -9.584 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.373 -8.452 -5.383 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.398 -4.863 -3.979 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.857 -3.650 -3.245 1.00 0.00 C ATOM 1693 C ALA A 116 -11.656 -2.968 -2.585 1.00 0.00 C ATOM 1694 O ALA A 116 -11.787 -2.286 -1.589 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.871 -4.056 -2.172 1.00 0.00 C ATOM 0 H ALA A 116 -12.573 -4.852 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.327 -2.958 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.207 -3.169 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.726 -4.540 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.403 -4.748 -1.472 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.488 -3.144 -3.138 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.275 -2.507 -2.550 1.00 0.00 C ATOM 1703 C PHE A 117 -9.142 -2.921 -1.083 1.00 0.00 C ATOM 1704 O PHE A 117 -8.463 -2.279 -0.308 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.396 -0.982 -2.629 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.745 -0.567 -4.038 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.729 -0.301 -4.963 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -11.087 -0.437 -4.417 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -9.053 0.091 -6.267 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.412 -0.046 -5.721 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.395 0.218 -6.646 1.00 0.00 C ATOM 0 H PHE A 117 -10.320 -3.703 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.397 -2.831 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -10.163 -0.633 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.458 -0.518 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.694 -0.398 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.872 -0.639 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.268 0.295 -6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.447 0.052 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.646 0.520 -7.652 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.789 -3.986 -0.696 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.705 -4.439 0.721 1.00 0.00 C ATOM 1723 C LEU A 118 -8.669 -5.559 0.847 1.00 0.00 C ATOM 1724 O LEU A 118 -8.137 -5.804 1.911 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.076 -4.957 1.165 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.023 -3.780 1.423 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.425 -4.318 1.724 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.524 -2.950 2.616 1.00 0.00 C ATOM 0 H LEU A 118 -10.373 -4.563 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.405 -3.603 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.494 -5.609 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.972 -5.556 2.070 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.053 -3.143 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.103 -3.484 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.784 -4.896 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.388 -4.957 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.205 -2.117 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.485 -3.578 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.527 -2.565 2.400 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.380 -6.242 -0.228 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.380 -7.351 -0.169 1.00 0.00 C ATOM 1742 C ARG A 119 -6.083 -6.907 -0.848 1.00 0.00 C ATOM 1743 O ARG A 119 -6.094 -6.135 -1.786 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.939 -8.578 -0.889 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.257 -9.002 -0.232 1.00 0.00 C ATOM 1746 CD ARG A 119 -9.004 -9.421 1.219 1.00 0.00 C ATOM 1747 NE ARG A 119 -10.056 -10.387 1.647 1.00 0.00 N ATOM 1748 CZ ARG A 119 -9.937 -11.653 1.353 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -9.125 -12.408 2.041 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -10.630 -12.164 0.372 1.00 0.00 N ATOM 0 H ARG A 119 -8.793 -6.081 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.176 -7.601 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.102 -8.351 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.220 -9.396 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.970 -8.178 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.701 -9.829 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.018 -9.876 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.013 -8.546 1.869 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.868 -10.059 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.584 -12.009 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.031 -13.398 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.265 -11.574 -0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.536 -13.154 0.143 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.962 -7.389 -0.378 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.658 -6.997 -0.991 1.00 0.00 C ATOM 1766 C TRP A 120 -3.189 -8.093 -1.951 1.00 0.00 C ATOM 1767 O TRP A 120 -3.524 -9.251 -1.797 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.613 -6.813 0.112 1.00 0.00 C ATOM 1769 CG TRP A 120 -3.192 -5.993 1.218 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.896 -4.849 1.054 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.128 -6.233 2.653 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.269 -4.374 2.299 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.818 -5.193 3.315 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.543 -7.245 3.433 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.925 -5.157 4.707 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.648 -7.213 4.831 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.338 -6.172 5.467 1.00 0.00 C ATOM 0 H TRP A 120 -4.893 -8.038 0.405 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.784 -6.063 -1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.296 -7.784 0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.726 -6.324 -0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -4.128 -4.384 0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.811 -3.523 2.448 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.009 -8.052 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.457 -4.352 5.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.194 -7.995 5.421 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.416 -6.154 6.544 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.411 -7.735 -2.940 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.911 -8.752 -3.913 1.00 0.00 C ATOM 1790 C LYS A 121 -0.427 -8.511 -4.175 1.00 0.00 C ATOM 1791 O LYS A 121 0.031 -7.388 -4.231 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.705 -8.640 -5.223 1.00 0.00 C ATOM 1793 CG LYS A 121 -3.166 -10.030 -5.681 1.00 0.00 C ATOM 1794 CD LYS A 121 -1.952 -10.872 -6.076 1.00 0.00 C ATOM 1795 CE LYS A 121 -2.418 -12.099 -6.862 1.00 0.00 C ATOM 1796 NZ LYS A 121 -3.613 -12.689 -6.198 1.00 0.00 N ATOM 0 H LYS A 121 -2.100 -6.780 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.044 -9.753 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.569 -7.991 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.086 -8.181 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.717 -10.523 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.847 -9.937 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.265 -10.279 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.406 -11.183 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.660 -11.817 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.617 -12.836 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.680 -13.699 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.525 -12.583 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.470 -12.198 -6.525 1.00 0.00 H new ATOM 1810 N ASP A 122 0.329 -9.561 -4.324 1.00 0.00 N ATOM 1811 CA ASP A 122 1.784 -9.393 -4.569 1.00 0.00 C ATOM 1812 C ASP A 122 2.016 -8.888 -5.995 1.00 0.00 C ATOM 1813 O ASP A 122 1.304 -9.245 -6.912 1.00 0.00 O ATOM 1814 CB ASP A 122 2.495 -10.736 -4.379 1.00 0.00 C ATOM 1815 CG ASP A 122 2.257 -11.241 -2.955 1.00 0.00 C ATOM 1816 OD1 ASP A 122 2.408 -10.455 -2.035 1.00 0.00 O ATOM 1817 OD2 ASP A 122 1.928 -12.407 -2.809 1.00 0.00 O ATOM 0 H ASP A 122 0.002 -10.526 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 122 2.184 -8.667 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.122 -11.462 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.563 -10.623 -4.563 1.00 0.00 H new ATOM 1822 N TYR A 123 3.008 -8.059 -6.192 1.00 0.00 N ATOM 1823 CA TYR A 123 3.280 -7.537 -7.564 1.00 0.00 C ATOM 1824 C TYR A 123 4.766 -7.172 -7.694 1.00 0.00 C ATOM 1825 O TYR A 123 5.438 -6.904 -6.717 1.00 0.00 O ATOM 1826 CB TYR A 123 2.411 -6.292 -7.809 1.00 0.00 C ATOM 1827 CG TYR A 123 1.412 -6.571 -8.910 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.857 -6.787 -10.220 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.041 -6.614 -8.622 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.935 -7.044 -11.241 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -0.881 -6.872 -9.644 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.434 -7.086 -10.952 1.00 0.00 C ATOM 1833 OH TYR A 123 -1.344 -7.340 -11.960 1.00 0.00 O ATOM 0 H TYR A 123 3.639 -7.722 -5.465 1.00 0.00 H new ATOM 0 HA TYR A 123 3.039 -8.301 -8.303 1.00 0.00 H new ATOM 0 HB2 TYR A 123 1.888 -6.016 -6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.041 -5.446 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.913 -6.755 -10.443 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -0.304 -6.448 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 123 1.279 -7.210 -12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.937 -6.906 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.252 -7.335 -11.590 1.00 0.00 H new ATOM 1843 N ASN A 124 5.281 -7.162 -8.895 1.00 0.00 N ATOM 1844 CA ASN A 124 6.719 -6.817 -9.096 1.00 0.00 C ATOM 1845 C ASN A 124 7.014 -5.462 -8.448 1.00 0.00 C ATOM 1846 O ASN A 124 6.500 -4.441 -8.858 1.00 0.00 O ATOM 1847 CB ASN A 124 7.024 -6.745 -10.594 1.00 0.00 C ATOM 1848 CG ASN A 124 7.138 -8.160 -11.164 1.00 0.00 C ATOM 1849 OD1 ASN A 124 7.506 -8.340 -12.306 1.00 0.00 O ATOM 1850 ND2 ASN A 124 6.836 -9.181 -10.407 1.00 0.00 N ATOM 0 H ASN A 124 4.766 -7.379 -9.748 1.00 0.00 H new ATOM 0 HA ASN A 124 7.343 -7.583 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.236 -6.197 -11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 124 7.953 -6.199 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.910 -10.129 -10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 124 6.527 -9.030 -9.447 1.00 0.00 H new ATOM 1857 N CYS A 125 7.837 -5.449 -7.436 1.00 0.00 N ATOM 1858 CA CYS A 125 8.169 -4.170 -6.740 1.00 0.00 C ATOM 1859 C CYS A 125 8.575 -3.087 -7.747 1.00 0.00 C ATOM 1860 O CYS A 125 8.819 -1.957 -7.373 1.00 0.00 O ATOM 1861 CB CYS A 125 9.338 -4.409 -5.783 1.00 0.00 C ATOM 1862 SG CYS A 125 8.785 -5.408 -4.381 1.00 0.00 S ATOM 0 H CYS A 125 8.298 -6.276 -7.057 1.00 0.00 H new ATOM 0 HA CYS A 125 7.286 -3.835 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.150 -4.916 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.732 -3.456 -5.430 1.00 0.00 H new ATOM 1867 N ASN A 126 8.671 -3.410 -9.010 1.00 0.00 N ATOM 1868 CA ASN A 126 9.092 -2.375 -10.003 1.00 0.00 C ATOM 1869 C ASN A 126 7.881 -1.822 -10.764 1.00 0.00 C ATOM 1870 O ASN A 126 7.866 -0.671 -11.150 1.00 0.00 O ATOM 1871 CB ASN A 126 10.077 -2.995 -10.997 1.00 0.00 C ATOM 1872 CG ASN A 126 10.825 -1.884 -11.739 1.00 0.00 C ATOM 1873 OD1 ASN A 126 12.038 -1.873 -11.775 1.00 0.00 O ATOM 1874 ND2 ASN A 126 10.145 -0.944 -12.335 1.00 0.00 N ATOM 0 H ASN A 126 8.479 -4.335 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 126 9.569 -1.554 -9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.785 -3.636 -10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.543 -3.626 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.633 -0.199 -12.832 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.126 -0.954 -12.304 1.00 0.00 H new ATOM 1881 N VAL A 127 6.863 -2.610 -10.981 1.00 0.00 N ATOM 1882 CA VAL A 127 5.675 -2.075 -11.711 1.00 0.00 C ATOM 1883 C VAL A 127 5.207 -0.830 -10.963 1.00 0.00 C ATOM 1884 O VAL A 127 5.099 -0.840 -9.753 1.00 0.00 O ATOM 1885 CB VAL A 127 4.560 -3.126 -11.729 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.232 -2.471 -12.124 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.909 -4.218 -12.745 1.00 0.00 C ATOM 0 H VAL A 127 6.800 -3.586 -10.690 1.00 0.00 H new ATOM 0 HA VAL A 127 5.930 -1.832 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 127 4.463 -3.564 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.444 -3.224 -12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.981 -1.693 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.325 -2.029 -13.116 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.118 -4.967 -12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.008 -3.775 -13.736 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.850 -4.690 -12.463 1.00 0.00 H new ATOM 1897 N ARG A 128 4.964 0.261 -11.645 1.00 0.00 N ATOM 1898 CA ARG A 128 4.559 1.475 -10.908 1.00 0.00 C ATOM 1899 C ARG A 128 3.061 1.523 -10.757 1.00 0.00 C ATOM 1900 O ARG A 128 2.349 1.042 -11.614 1.00 0.00 O ATOM 1901 CB ARG A 128 5.028 2.688 -11.713 1.00 0.00 C ATOM 1902 CG ARG A 128 6.427 2.420 -12.271 1.00 0.00 C ATOM 1903 CD ARG A 128 6.976 3.698 -12.910 1.00 0.00 C ATOM 1904 NE ARG A 128 8.114 3.354 -13.809 1.00 0.00 N ATOM 1905 CZ ARG A 128 8.492 4.194 -14.733 1.00 0.00 C ATOM 1906 NH1 ARG A 128 7.604 4.916 -15.360 1.00 0.00 N ATOM 1907 NH2 ARG A 128 9.757 4.313 -15.029 1.00 0.00 N ATOM 0 H ARG A 128 5.029 0.355 -12.659 1.00 0.00 H new ATOM 0 HA ARG A 128 5.004 1.472 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.332 2.888 -12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.041 3.575 -11.080 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.090 2.086 -11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.388 1.619 -13.010 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.191 4.201 -13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.306 4.391 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 128 8.597 2.462 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 128 6.615 4.823 -15.128 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.899 5.573 -16.082 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.451 3.749 -14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.052 4.970 -15.751 1.00 0.00 H new ATOM 1921 N LEU A 129 2.537 2.084 -9.685 1.00 0.00 N ATOM 1922 CA LEU A 129 1.031 2.074 -9.612 1.00 0.00 C ATOM 1923 C LEU A 129 0.542 3.322 -8.932 1.00 0.00 C ATOM 1924 O LEU A 129 1.270 3.899 -8.147 1.00 0.00 O ATOM 1925 CB LEU A 129 0.580 0.866 -8.777 1.00 0.00 C ATOM 1926 CG LEU A 129 0.534 -0.407 -9.637 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.474 -1.465 -9.051 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.889 -0.954 -9.642 1.00 0.00 C ATOM 0 H LEU A 129 3.040 2.518 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 129 0.626 2.020 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.264 0.721 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.405 1.059 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 129 0.848 -0.168 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.437 -2.365 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.493 -1.078 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.162 -1.706 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.929 -1.857 -10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.192 -1.190 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.565 -0.206 -10.057 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.676 3.737 -9.131 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.155 4.912 -8.380 1.00 0.00 C ATOM 1942 C PRO A 130 -1.019 4.571 -6.894 1.00 0.00 C ATOM 1943 O PRO A 130 -1.215 3.432 -6.523 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.621 5.020 -8.816 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.921 3.887 -9.815 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.627 3.102 -10.077 1.00 0.00 C ATOM 0 HA PRO A 130 -0.621 5.846 -8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.280 4.946 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.808 5.990 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.689 3.225 -9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.308 4.299 -10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.750 2.037 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.296 3.196 -11.111 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.638 5.479 -6.037 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.468 5.055 -4.613 1.00 0.00 C ATOM 1956 C TYR A 131 -0.868 6.127 -3.614 1.00 0.00 C ATOM 1957 O TYR A 131 -1.287 7.213 -3.966 1.00 0.00 O ATOM 1958 CB TYR A 131 1.010 4.742 -4.392 1.00 0.00 C ATOM 1959 CG TYR A 131 1.816 5.993 -4.648 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.207 6.317 -5.952 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.165 6.833 -3.585 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.949 7.478 -6.193 1.00 0.00 C ATOM 1963 CE2 TYR A 131 2.908 7.996 -3.827 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.299 8.319 -5.131 1.00 0.00 C ATOM 1965 OH TYR A 131 4.029 9.465 -5.370 1.00 0.00 O ATOM 0 H TYR A 131 -0.443 6.458 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 131 -1.116 4.194 -4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.173 4.390 -3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.331 3.943 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.936 5.670 -6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 131 1.862 6.585 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 131 3.252 7.725 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.179 8.644 -3.006 1.00 0.00 H new ATOM 0 HH TYR A 131 4.186 9.935 -4.525 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.706 5.817 -2.348 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.038 6.805 -1.280 1.00 0.00 C ATOM 1977 C VAL A 132 0.165 6.908 -0.347 1.00 0.00 C ATOM 1978 O VAL A 132 0.978 6.007 -0.284 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.260 6.323 -0.495 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.574 7.313 0.632 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.465 6.233 -1.432 1.00 0.00 C ATOM 0 H VAL A 132 -0.357 4.919 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.265 7.777 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.049 5.342 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.445 6.966 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.718 7.383 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.783 8.295 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.336 5.890 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.670 7.216 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.249 5.529 -2.236 1.00 0.00 H new ATOM 1991 N CYS A 133 0.303 7.979 0.379 1.00 0.00 N ATOM 1992 CA CYS A 133 1.476 8.088 1.294 1.00 0.00 C ATOM 1993 C CYS A 133 1.115 8.913 2.528 1.00 0.00 C ATOM 1994 O CYS A 133 0.325 9.830 2.467 1.00 0.00 O ATOM 1995 CB CYS A 133 2.636 8.749 0.552 1.00 0.00 C ATOM 1996 SG CYS A 133 3.361 7.548 -0.592 1.00 0.00 S ATOM 0 H CYS A 133 -0.334 8.775 0.382 1.00 0.00 H new ATOM 0 HA CYS A 133 1.768 7.089 1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.284 9.625 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 133 3.388 9.096 1.261 1.00 0.00 H new ATOM 2001 N LYS A 134 1.703 8.585 3.652 1.00 0.00 N ATOM 2002 CA LYS A 134 1.413 9.335 4.909 1.00 0.00 C ATOM 2003 C LYS A 134 2.560 10.310 5.181 1.00 0.00 C ATOM 2004 O LYS A 134 3.666 10.114 4.717 1.00 0.00 O ATOM 2005 CB LYS A 134 1.278 8.338 6.069 1.00 0.00 C ATOM 2006 CG LYS A 134 2.650 8.071 6.702 1.00 0.00 C ATOM 2007 CD LYS A 134 2.583 6.798 7.552 1.00 0.00 C ATOM 2008 CE LYS A 134 3.767 6.766 8.520 1.00 0.00 C ATOM 2009 NZ LYS A 134 5.008 7.174 7.802 1.00 0.00 N ATOM 0 H LYS A 134 2.376 7.825 3.751 1.00 0.00 H new ATOM 0 HA LYS A 134 0.483 9.894 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.594 8.733 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.849 7.404 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.406 7.962 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.948 8.918 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.645 6.768 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.601 5.918 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.583 7.437 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.886 5.764 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.836 6.768 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.972 6.828 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.083 8.211 7.801 1.00 0.00 H new ATOM 2023 N PHE A 135 2.308 11.360 5.921 1.00 0.00 N ATOM 2024 CA PHE A 135 3.396 12.348 6.210 1.00 0.00 C ATOM 2025 C PHE A 135 2.847 13.468 7.100 1.00 0.00 C ATOM 2026 O PHE A 135 1.869 14.107 6.773 1.00 0.00 O ATOM 2027 CB PHE A 135 3.903 12.960 4.900 1.00 0.00 C ATOM 2028 CG PHE A 135 2.747 13.579 4.149 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.008 12.810 3.239 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.410 14.921 4.362 1.00 0.00 C ATOM 2031 CE1 PHE A 135 0.936 13.384 2.545 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.339 15.495 3.666 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.602 14.727 2.758 1.00 0.00 C ATOM 0 H PHE A 135 1.402 11.577 6.336 1.00 0.00 H new ATOM 0 HA PHE A 135 4.214 11.837 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.660 13.716 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.378 12.193 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.266 11.774 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.977 15.514 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.366 12.791 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 135 1.082 16.531 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.224 15.170 2.222 1.00 0.00 H new