USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 540 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 100 ASN : amide:sc= -5.86! K(o=-8.1!,f=-5.1) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.23 K(o=-8.1,f=-8.9!) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 143:sc= 0.0912 USER MOD Set 3.1: A 108 LYS NZ :NH3+ 179:sc= 0.399 (180deg=-0.276) USER MOD Set 3.2: A 109 SER OG : rot 180:sc= 0.576 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.992 K(o=0.99,f=-1.2) USER MOD Single : A 112 ASN : amide:sc= 0.557 K(o=0.56,f=-6.4!) USER MOD Single : A 113 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.487) USER MOD Single : A 118 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 124 ASN : amide:sc= 1.18 K(o=1.2,f=-1) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 131:sc= -2.7! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.0615 K(o=-0.061,f=-3.3!) USER MOD Single : A 157 LYS NZ :NH3+ -123:sc= -0.171 (180deg=-0.805) USER MOD Single : A 158 MET CE :methyl -171:sc= -0.548 (180deg=-0.823) USER MOD Single : A 159 ASN : amide:sc= -0.978 K(o=-0.98,f=-6!) USER MOD Single : A 161 MET CE :methyl -178:sc= 0 (180deg=-0.00535) USER MOD Single : A 164 ASN : amide:sc= 0.0623 K(o=0.062,f=-1.4!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.364 -1.197 4.097 1.00 0.29 N ATOM 141 CA VAL A 98 11.263 -2.638 3.785 1.00 0.33 C ATOM 142 C VAL A 98 9.850 -3.187 3.994 1.00 0.25 C ATOM 143 O VAL A 98 9.176 -2.885 4.978 1.00 0.27 O ATOM 144 CB VAL A 98 12.296 -3.513 4.532 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.669 -4.232 5.700 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.903 -4.508 3.561 1.00 0.71 C ATOM 0 HA VAL A 98 11.502 -2.702 2.723 1.00 0.33 H new ATOM 0 HB VAL A 98 13.077 -2.866 4.930 1.00 0.49 H new ATOM 0 HG11 VAL A 98 12.424 -4.838 6.202 1.00 0.47 H new ATOM 0 HG12 VAL A 98 11.264 -3.503 6.401 1.00 0.47 H new ATOM 0 HG13 VAL A 98 10.866 -4.876 5.342 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.632 -5.127 4.083 1.00 0.71 H new ATOM 0 HG22 VAL A 98 12.117 -5.141 3.150 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.397 -3.971 2.751 1.00 0.71 H new ATOM 156 N GLY A 99 9.387 -3.984 3.043 1.00 0.21 N ATOM 157 CA GLY A 99 8.026 -4.471 3.111 1.00 0.20 C ATOM 158 C GLY A 99 7.044 -3.360 2.812 1.00 0.15 C ATOM 159 O GLY A 99 5.886 -3.401 3.214 1.00 0.18 O ATOM 0 H GLY A 99 9.922 -4.299 2.234 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.890 -5.285 2.399 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.830 -4.879 4.102 1.00 0.20 H new ATOM 163 N ASN A 100 7.533 -2.354 2.109 1.00 0.13 N ATOM 164 CA ASN A 100 6.767 -1.148 1.821 1.00 0.14 C ATOM 165 C ASN A 100 6.095 -1.302 0.463 1.00 0.14 C ATOM 166 O ASN A 100 6.761 -1.635 -0.522 1.00 0.19 O ATOM 167 CB ASN A 100 7.731 0.046 1.798 1.00 0.21 C ATOM 168 CG ASN A 100 8.302 0.378 3.161 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.831 1.469 3.365 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.174 -0.540 4.113 1.00 0.20 N ATOM 0 H ASN A 100 8.476 -2.348 1.719 1.00 0.13 H new ATOM 0 HA ASN A 100 6.003 -0.986 2.581 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.549 -0.169 1.111 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.208 0.919 1.408 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.521 -0.351 5.053 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.729 -1.433 3.903 1.00 0.20 H new ATOM 177 N ILE A 101 4.788 -1.087 0.410 1.00 0.12 N ATOM 178 CA ILE A 101 4.051 -1.143 -0.848 1.00 0.13 C ATOM 179 C ILE A 101 3.108 0.043 -0.959 1.00 0.12 C ATOM 180 O ILE A 101 2.781 0.675 0.049 1.00 0.15 O ATOM 181 CB ILE A 101 3.236 -2.449 -0.996 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.166 -2.546 0.094 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.158 -3.655 -0.953 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.337 -3.809 0.025 1.00 0.13 C ATOM 0 H ILE A 101 4.214 -0.872 1.225 1.00 0.12 H new ATOM 0 HA ILE A 101 4.792 -1.114 -1.647 1.00 0.13 H new ATOM 0 HB ILE A 101 2.733 -2.434 -1.963 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.649 -2.492 1.070 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.504 -1.683 0.018 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.570 -4.567 -1.058 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.878 -3.592 -1.769 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.689 -3.674 -0.001 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.601 -3.805 0.829 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.825 -3.856 -0.936 1.00 0.13 H new ATOM 0 HD13 ILE A 101 1.987 -4.677 0.132 1.00 0.13 H new ATOM 196 N PHE A 102 2.664 0.340 -2.170 1.00 0.11 N ATOM 197 CA PHE A 102 1.705 1.409 -2.372 1.00 0.11 C ATOM 198 C PHE A 102 0.463 0.868 -3.073 1.00 0.09 C ATOM 199 O PHE A 102 0.552 -0.020 -3.924 1.00 0.11 O ATOM 200 CB PHE A 102 2.339 2.578 -3.151 1.00 0.16 C ATOM 201 CG PHE A 102 1.912 2.706 -4.588 1.00 0.13 C ATOM 202 CD1 PHE A 102 2.607 2.046 -5.592 1.00 0.17 C ATOM 203 CD2 PHE A 102 0.808 3.469 -4.932 1.00 0.14 C ATOM 204 CE1 PHE A 102 2.212 2.146 -6.908 1.00 0.21 C ATOM 205 CE2 PHE A 102 0.408 3.575 -6.250 1.00 0.17 C ATOM 206 CZ PHE A 102 1.136 2.977 -7.242 1.00 0.20 C ATOM 0 H PHE A 102 2.951 -0.142 -3.022 1.00 0.11 H new ATOM 0 HA PHE A 102 1.401 1.801 -1.401 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.100 3.508 -2.635 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.423 2.466 -3.121 1.00 0.16 H new ATOM 0 HD1 PHE A 102 3.469 1.446 -5.338 1.00 0.17 H new ATOM 0 HD2 PHE A 102 0.255 3.986 -4.162 1.00 0.14 H new ATOM 0 HE1 PHE A 102 2.728 1.588 -7.675 1.00 0.21 H new ATOM 0 HE2 PHE A 102 -0.483 4.132 -6.498 1.00 0.17 H new ATOM 0 HZ PHE A 102 0.882 3.145 -8.278 1.00 0.20 H new ATOM 216 N ILE A 103 -0.687 1.390 -2.687 1.00 0.08 N ATOM 217 CA ILE A 103 -1.961 0.957 -3.231 1.00 0.08 C ATOM 218 C ILE A 103 -2.628 2.108 -3.971 1.00 0.08 C ATOM 219 O ILE A 103 -2.476 3.270 -3.591 1.00 0.15 O ATOM 220 CB ILE A 103 -2.889 0.451 -2.107 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.207 -0.665 -1.324 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.210 -0.045 -2.675 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.539 -0.643 0.144 1.00 0.09 C ATOM 0 H ILE A 103 -0.764 2.127 -1.986 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.779 0.138 -3.927 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.095 1.285 -1.436 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.502 -1.627 -1.743 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.127 -0.581 -1.448 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.846 -0.396 -1.863 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.709 0.769 -3.200 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -4.023 -0.864 -3.369 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -2.023 -1.462 0.646 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.220 0.306 0.575 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.615 -0.757 0.275 1.00 0.09 H new ATOM 235 N LYS A 104 -3.355 1.783 -5.024 1.00 0.13 N ATOM 236 CA LYS A 104 -3.959 2.782 -5.884 1.00 0.13 C ATOM 237 C LYS A 104 -5.440 2.479 -6.090 1.00 0.12 C ATOM 238 O LYS A 104 -5.833 1.317 -6.105 1.00 0.14 O ATOM 239 CB LYS A 104 -3.240 2.752 -7.226 1.00 0.19 C ATOM 240 CG LYS A 104 -3.345 4.022 -8.045 1.00 0.28 C ATOM 241 CD LYS A 104 -2.550 3.884 -9.331 1.00 0.39 C ATOM 242 CE LYS A 104 -2.870 4.976 -10.327 1.00 0.66 C ATOM 243 NZ LYS A 104 -2.510 6.330 -9.826 1.00 1.46 N ATOM 0 H LYS A 104 -3.543 0.821 -5.306 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.870 3.767 -5.425 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.186 2.539 -7.050 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.638 1.926 -7.815 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.390 4.229 -8.275 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.972 4.868 -7.467 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -1.485 3.907 -9.101 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -2.758 2.913 -9.781 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.335 4.783 -11.257 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.935 4.950 -10.560 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -2.749 7.041 -10.546 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -3.039 6.529 -8.953 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -1.490 6.367 -9.629 1.00 1.46 H new ATOM 257 N ASN A 105 -6.238 3.529 -6.250 1.00 0.12 N ATOM 258 CA ASN A 105 -7.673 3.421 -6.522 1.00 0.13 C ATOM 259 C ASN A 105 -8.431 2.786 -5.353 1.00 0.15 C ATOM 260 O ASN A 105 -9.247 1.885 -5.542 1.00 0.25 O ATOM 261 CB ASN A 105 -7.928 2.629 -7.806 1.00 0.16 C ATOM 262 CG ASN A 105 -9.308 2.902 -8.382 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.834 4.012 -8.270 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.914 1.890 -8.982 1.00 0.34 N ATOM 0 H ASN A 105 -5.906 4.492 -6.194 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.049 4.436 -6.652 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -7.170 2.885 -8.546 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.826 1.563 -7.600 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.849 2.014 -9.371 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.446 0.986 -9.055 1.00 0.34 H new ATOM 271 N LEU A 106 -8.165 3.266 -4.147 1.00 0.14 N ATOM 272 CA LEU A 106 -8.882 2.801 -2.960 1.00 0.17 C ATOM 273 C LEU A 106 -10.241 3.470 -2.834 1.00 0.22 C ATOM 274 O LEU A 106 -10.444 4.594 -3.297 1.00 0.26 O ATOM 275 CB LEU A 106 -8.060 3.055 -1.697 1.00 0.16 C ATOM 276 CG LEU A 106 -6.928 2.061 -1.468 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.888 2.636 -0.533 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.481 0.768 -0.893 1.00 0.16 C ATOM 0 H LEU A 106 -7.458 3.978 -3.961 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.038 1.728 -3.074 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.640 4.059 -1.749 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.726 3.032 -0.835 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.453 1.855 -2.427 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.090 1.908 -0.385 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.473 3.546 -0.966 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.350 2.868 0.426 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.665 0.063 -0.732 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -7.975 0.974 0.057 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.200 0.338 -1.590 1.00 0.16 H new ATOM 290 N ASP A 107 -11.168 2.763 -2.205 1.00 0.27 N ATOM 291 CA ASP A 107 -12.516 3.264 -1.997 1.00 0.32 C ATOM 292 C ASP A 107 -12.564 4.265 -0.848 1.00 0.30 C ATOM 293 O ASP A 107 -11.761 4.201 0.085 1.00 0.26 O ATOM 294 CB ASP A 107 -13.471 2.099 -1.743 1.00 0.37 C ATOM 295 CG ASP A 107 -14.871 2.553 -1.393 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.655 2.835 -2.323 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.196 2.617 -0.191 1.00 0.71 O ATOM 0 H ASP A 107 -11.007 1.830 -1.826 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.831 3.788 -2.899 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.510 1.467 -2.631 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.080 1.485 -0.932 1.00 0.37 H new ATOM 302 N LYS A 108 -13.509 5.188 -0.945 1.00 0.38 N ATOM 303 CA LYS A 108 -13.686 6.266 0.028 1.00 0.43 C ATOM 304 C LYS A 108 -13.767 5.760 1.472 1.00 0.36 C ATOM 305 O LYS A 108 -13.234 6.394 2.386 1.00 0.46 O ATOM 306 CB LYS A 108 -14.960 7.056 -0.301 1.00 0.55 C ATOM 307 CG LYS A 108 -16.236 6.228 -0.212 1.00 0.57 C ATOM 308 CD LYS A 108 -17.474 7.075 -0.407 1.00 0.90 C ATOM 309 CE LYS A 108 -18.736 6.222 -0.356 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.866 5.498 0.939 1.00 2.20 N ATOM 0 H LYS A 108 -14.185 5.214 -1.709 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.805 6.904 -0.045 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -15.038 7.902 0.382 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.873 7.466 -1.307 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.212 5.442 -0.967 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.282 5.736 0.760 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.519 7.843 0.366 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.418 7.591 -1.366 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -19.609 6.857 -0.506 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.721 5.502 -1.174 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.745 4.943 0.940 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.054 4.860 1.063 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.889 6.185 1.720 1.00 2.20 H new ATOM 324 N SER A 109 -14.430 4.631 1.680 1.00 0.31 N ATOM 325 CA SER A 109 -14.681 4.141 3.027 1.00 0.40 C ATOM 326 C SER A 109 -13.509 3.325 3.568 1.00 0.34 C ATOM 327 O SER A 109 -13.523 2.907 4.726 1.00 0.43 O ATOM 328 CB SER A 109 -15.960 3.304 3.047 1.00 0.56 C ATOM 329 OG SER A 109 -17.065 4.042 2.543 1.00 1.41 O ATOM 0 H SER A 109 -14.802 4.040 0.937 1.00 0.31 H new ATOM 0 HA SER A 109 -14.801 5.008 3.677 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.818 2.403 2.450 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.170 2.980 4.066 1.00 0.56 H new ATOM 0 HG SER A 109 -17.869 3.483 2.565 1.00 1.41 H new ATOM 335 N ILE A 110 -12.494 3.102 2.741 1.00 0.23 N ATOM 336 CA ILE A 110 -11.334 2.340 3.175 1.00 0.20 C ATOM 337 C ILE A 110 -10.502 3.159 4.156 1.00 0.20 C ATOM 338 O ILE A 110 -9.978 4.217 3.815 1.00 0.26 O ATOM 339 CB ILE A 110 -10.462 1.886 1.981 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.231 0.873 1.122 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.148 1.283 2.466 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.553 -0.417 1.847 1.00 0.23 C ATOM 0 H ILE A 110 -12.452 3.434 1.778 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.699 1.442 3.675 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.229 2.760 1.373 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.160 1.330 0.781 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.644 0.643 0.233 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.552 0.971 1.608 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.596 2.027 3.040 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.355 0.419 3.097 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.097 -1.084 1.178 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.627 -0.897 2.164 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.167 -0.200 2.721 1.00 0.23 H new ATOM 354 N ASP A 111 -10.414 2.670 5.382 1.00 0.17 N ATOM 355 CA ASP A 111 -9.642 3.329 6.424 1.00 0.18 C ATOM 356 C ASP A 111 -8.342 2.570 6.618 1.00 0.14 C ATOM 357 O ASP A 111 -8.108 1.560 5.949 1.00 0.13 O ATOM 358 CB ASP A 111 -10.436 3.344 7.738 1.00 0.23 C ATOM 359 CG ASP A 111 -9.845 4.249 8.804 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.168 5.457 8.810 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.044 3.765 9.627 1.00 1.59 O ATOM 0 H ASP A 111 -10.873 1.810 5.683 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.433 4.358 6.132 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.457 3.663 7.530 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.492 2.328 8.129 1.00 0.23 H new ATOM 366 N ASN A 112 -7.515 3.024 7.543 1.00 0.15 N ATOM 367 CA ASN A 112 -6.262 2.345 7.833 1.00 0.13 C ATOM 368 C ASN A 112 -6.570 0.969 8.376 1.00 0.11 C ATOM 369 O ASN A 112 -5.895 -0.003 8.063 1.00 0.12 O ATOM 370 CB ASN A 112 -5.419 3.110 8.855 1.00 0.16 C ATOM 371 CG ASN A 112 -5.001 4.485 8.373 1.00 0.19 C ATOM 372 OD1 ASN A 112 -4.903 4.736 7.175 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.731 5.380 9.305 1.00 0.55 N ATOM 0 H ASN A 112 -7.687 3.857 8.105 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.688 2.282 6.909 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -5.986 3.213 9.780 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.528 2.528 9.090 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.429 6.318 9.040 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.824 5.134 10.291 1.00 0.55 H new ATOM 380 N LYS A 113 -7.631 0.900 9.169 1.00 0.12 N ATOM 381 CA LYS A 113 -8.082 -0.339 9.737 1.00 0.12 C ATOM 382 C LYS A 113 -8.469 -1.313 8.653 1.00 0.11 C ATOM 383 O LYS A 113 -8.068 -2.465 8.656 1.00 0.11 O ATOM 384 CB LYS A 113 -9.310 -0.083 10.578 1.00 0.15 C ATOM 385 CG LYS A 113 -9.226 -0.587 12.005 1.00 0.28 C ATOM 386 CD LYS A 113 -8.875 -2.060 12.088 1.00 0.54 C ATOM 387 CE LYS A 113 -7.398 -2.317 11.824 1.00 1.63 C ATOM 388 NZ LYS A 113 -6.523 -1.658 12.832 1.00 2.58 N ATOM 0 H LYS A 113 -8.196 1.709 9.430 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.271 -0.754 10.336 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.501 0.990 10.598 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.167 -0.550 10.094 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.477 -0.009 12.546 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.181 -0.417 12.502 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -9.137 -2.439 13.076 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.473 -2.615 11.365 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -7.211 -3.391 11.830 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -7.140 -1.954 10.829 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -5.594 -2.125 12.843 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -6.404 -0.655 12.585 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -6.960 -1.733 13.773 1.00 2.58 H new ATOM 402 N ALA A 114 -9.274 -0.817 7.749 1.00 0.11 N ATOM 403 CA ALA A 114 -9.797 -1.599 6.642 1.00 0.12 C ATOM 404 C ALA A 114 -8.674 -2.105 5.752 1.00 0.11 C ATOM 405 O ALA A 114 -8.661 -3.268 5.334 1.00 0.13 O ATOM 406 CB ALA A 114 -10.760 -0.738 5.850 1.00 0.15 C ATOM 0 H ALA A 114 -9.593 0.152 7.755 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.320 -2.472 7.033 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.160 -1.313 5.015 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.578 -0.418 6.496 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.235 0.138 5.468 1.00 0.15 H new ATOM 412 N LEU A 115 -7.726 -1.225 5.479 1.00 0.09 N ATOM 413 CA LEU A 115 -6.557 -1.577 4.699 1.00 0.09 C ATOM 414 C LEU A 115 -5.748 -2.625 5.457 1.00 0.08 C ATOM 415 O LEU A 115 -5.378 -3.664 4.905 1.00 0.09 O ATOM 416 CB LEU A 115 -5.726 -0.308 4.459 1.00 0.10 C ATOM 417 CG LEU A 115 -4.732 -0.349 3.296 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.057 1.002 3.138 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.689 -1.422 3.505 1.00 0.11 C ATOM 0 H LEU A 115 -7.746 -0.254 5.790 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.847 -1.996 3.735 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.412 0.522 4.291 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.173 -0.085 5.372 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.287 -0.585 2.388 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.352 0.962 2.308 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.810 1.764 2.937 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.524 1.252 4.055 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -2.998 -1.426 2.662 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.139 -1.221 4.424 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.177 -2.394 3.579 1.00 0.11 H new ATOM 431 N TYR A 116 -5.518 -2.364 6.738 1.00 0.08 N ATOM 432 CA TYR A 116 -4.815 -3.298 7.599 1.00 0.09 C ATOM 433 C TYR A 116 -5.533 -4.633 7.650 1.00 0.10 C ATOM 434 O TYR A 116 -4.919 -5.674 7.459 1.00 0.11 O ATOM 435 CB TYR A 116 -4.675 -2.726 9.017 1.00 0.10 C ATOM 436 CG TYR A 116 -4.119 -3.717 10.017 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.750 -3.826 10.243 1.00 0.19 C ATOM 438 CD2 TYR A 116 -4.968 -4.530 10.747 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.250 -4.719 11.170 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.477 -5.429 11.676 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.080 -5.555 11.826 1.00 0.23 C ATOM 442 OH TYR A 116 -2.625 -6.411 12.811 1.00 0.30 O ATOM 0 H TYR A 116 -5.812 -1.505 7.203 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.820 -3.454 7.181 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.025 -1.852 8.985 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.652 -2.385 9.360 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.068 -3.202 9.684 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.034 -4.461 10.588 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.189 -4.748 11.371 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.150 -6.024 12.275 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.376 -6.931 13.165 1.00 0.30 H new ATOM 452 N ASP A 117 -6.838 -4.593 7.875 1.00 0.10 N ATOM 453 CA ASP A 117 -7.624 -5.808 8.050 1.00 0.12 C ATOM 454 C ASP A 117 -7.483 -6.714 6.840 1.00 0.12 C ATOM 455 O ASP A 117 -7.382 -7.933 6.971 1.00 0.15 O ATOM 456 CB ASP A 117 -9.100 -5.458 8.252 1.00 0.16 C ATOM 457 CG ASP A 117 -9.935 -6.662 8.643 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.436 -7.368 7.741 1.00 0.40 O ATOM 459 OD2 ASP A 117 -10.098 -6.902 9.854 1.00 0.36 O ATOM 0 H ASP A 117 -7.378 -3.730 7.941 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.251 -6.330 8.931 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.186 -4.694 9.025 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.497 -5.028 7.333 1.00 0.16 H new ATOM 464 N THR A 118 -7.449 -6.113 5.663 1.00 0.11 N ATOM 465 CA THR A 118 -7.355 -6.874 4.436 1.00 0.11 C ATOM 466 C THR A 118 -5.927 -7.379 4.184 1.00 0.10 C ATOM 467 O THR A 118 -5.710 -8.580 4.019 1.00 0.12 O ATOM 468 CB THR A 118 -7.831 -6.022 3.245 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.084 -5.400 3.569 1.00 0.22 O ATOM 470 CG2 THR A 118 -8.001 -6.880 2.002 1.00 0.17 C ATOM 0 H THR A 118 -7.485 -5.102 5.534 1.00 0.11 H new ATOM 0 HA THR A 118 -8.001 -7.746 4.540 1.00 0.11 H new ATOM 0 HB THR A 118 -7.079 -5.259 3.043 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.931 -4.666 4.200 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.338 -6.257 1.173 1.00 0.17 H new ATOM 0 HG22 THR A 118 -7.047 -7.341 1.745 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.740 -7.658 2.195 1.00 0.17 H new ATOM 478 N PHE A 119 -4.954 -6.468 4.189 1.00 0.08 N ATOM 479 CA PHE A 119 -3.571 -6.812 3.839 1.00 0.08 C ATOM 480 C PHE A 119 -2.885 -7.643 4.931 1.00 0.08 C ATOM 481 O PHE A 119 -1.980 -8.421 4.642 1.00 0.09 O ATOM 482 CB PHE A 119 -2.754 -5.559 3.479 1.00 0.08 C ATOM 483 CG PHE A 119 -3.204 -4.885 2.196 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.477 -4.349 2.104 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.361 -4.774 1.088 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.905 -3.723 0.953 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.787 -4.147 -0.064 1.00 0.10 C ATOM 488 CZ PHE A 119 -4.061 -3.621 -0.132 1.00 0.09 C ATOM 0 H PHE A 119 -5.095 -5.487 4.431 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.615 -7.441 2.950 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.823 -4.843 4.298 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.704 -5.836 3.385 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.146 -4.423 2.948 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.363 -5.184 1.134 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.902 -3.312 0.901 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -2.124 -4.068 -0.913 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.396 -3.130 -1.034 1.00 0.09 H new ATOM 498 N SER A 120 -3.311 -7.474 6.183 1.00 0.09 N ATOM 499 CA SER A 120 -2.701 -8.176 7.317 1.00 0.09 C ATOM 500 C SER A 120 -2.752 -9.694 7.134 1.00 0.08 C ATOM 501 O SER A 120 -1.917 -10.414 7.679 1.00 0.09 O ATOM 502 CB SER A 120 -3.357 -7.779 8.647 1.00 0.13 C ATOM 503 OG SER A 120 -2.683 -8.372 9.745 1.00 0.19 O ATOM 0 H SER A 120 -4.079 -6.855 6.440 1.00 0.09 H new ATOM 0 HA SER A 120 -1.655 -7.872 7.349 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.346 -6.694 8.752 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.402 -8.089 8.647 1.00 0.13 H new ATOM 0 HG SER A 120 -2.661 -7.741 10.495 1.00 0.19 H new ATOM 509 N ALA A 121 -3.748 -10.179 6.399 1.00 0.09 N ATOM 510 CA ALA A 121 -3.860 -11.606 6.103 1.00 0.11 C ATOM 511 C ALA A 121 -2.598 -12.133 5.412 1.00 0.11 C ATOM 512 O ALA A 121 -2.300 -13.326 5.460 1.00 0.13 O ATOM 513 CB ALA A 121 -5.078 -11.866 5.228 1.00 0.14 C ATOM 0 H ALA A 121 -4.490 -9.606 5.997 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.975 -12.136 7.049 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.151 -12.932 5.014 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.977 -11.538 5.749 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.979 -11.314 4.293 1.00 0.14 H new ATOM 519 N PHE A 122 -1.858 -11.231 4.781 1.00 0.08 N ATOM 520 CA PHE A 122 -0.639 -11.591 4.071 1.00 0.09 C ATOM 521 C PHE A 122 0.569 -11.508 4.995 1.00 0.10 C ATOM 522 O PHE A 122 1.593 -12.153 4.758 1.00 0.18 O ATOM 523 CB PHE A 122 -0.450 -10.666 2.870 1.00 0.09 C ATOM 524 CG PHE A 122 -1.672 -10.595 2.007 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.177 -11.732 1.405 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.294 -9.384 1.777 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.284 -11.663 0.587 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.404 -9.308 0.963 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.966 -10.478 0.458 1.00 0.13 C ATOM 0 H PHE A 122 -2.084 -10.237 4.747 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.729 -12.620 3.722 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.198 -9.665 3.221 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.393 -11.016 2.274 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.699 -12.685 1.577 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.907 -8.488 2.239 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.614 -12.539 0.049 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.835 -8.348 0.719 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.929 -10.454 -0.030 1.00 0.13 H new ATOM 539 N GLY A 123 0.432 -10.731 6.056 1.00 0.09 N ATOM 540 CA GLY A 123 1.508 -10.570 7.008 1.00 0.10 C ATOM 541 C GLY A 123 1.229 -9.452 7.986 1.00 0.09 C ATOM 542 O GLY A 123 0.291 -8.676 7.798 1.00 0.11 O ATOM 0 H GLY A 123 -0.413 -10.204 6.276 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.653 -11.502 7.554 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.437 -10.364 6.476 1.00 0.10 H new ATOM 546 N ASN A 124 2.034 -9.363 9.031 1.00 0.13 N ATOM 547 CA ASN A 124 1.861 -8.324 10.032 1.00 0.14 C ATOM 548 C ASN A 124 2.247 -6.973 9.448 1.00 0.11 C ATOM 549 O ASN A 124 3.218 -6.859 8.704 1.00 0.14 O ATOM 550 CB ASN A 124 2.705 -8.624 11.272 1.00 0.18 C ATOM 551 CG ASN A 124 2.493 -7.610 12.381 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.403 -7.055 12.533 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.532 -7.365 13.161 1.00 0.25 N ATOM 0 H ASN A 124 2.813 -9.997 9.208 1.00 0.13 H new ATOM 0 HA ASN A 124 0.813 -8.298 10.329 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.459 -9.619 11.643 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.759 -8.639 10.995 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.449 -6.694 13.924 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.416 -7.847 12.999 1.00 0.25 H new ATOM 560 N ILE A 125 1.472 -5.961 9.778 1.00 0.11 N ATOM 561 CA ILE A 125 1.695 -4.623 9.260 1.00 0.10 C ATOM 562 C ILE A 125 2.121 -3.691 10.388 1.00 0.11 C ATOM 563 O ILE A 125 1.495 -3.666 11.448 1.00 0.14 O ATOM 564 CB ILE A 125 0.413 -4.080 8.598 1.00 0.11 C ATOM 565 CG1 ILE A 125 -0.025 -4.995 7.453 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.618 -2.658 8.099 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.332 -4.581 6.809 1.00 0.11 C ATOM 0 H ILE A 125 0.674 -6.039 10.409 1.00 0.11 H new ATOM 0 HA ILE A 125 2.486 -4.670 8.512 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.376 -4.062 9.349 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.756 -5.010 6.693 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.122 -6.013 7.830 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.301 -2.299 7.636 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.879 -2.012 8.937 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.424 -2.643 7.365 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.578 -5.276 6.006 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.126 -4.594 7.556 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.234 -3.575 6.401 1.00 0.11 H new ATOM 579 N LEU A 126 3.182 -2.925 10.163 1.00 0.13 N ATOM 580 CA LEU A 126 3.695 -2.036 11.197 1.00 0.15 C ATOM 581 C LEU A 126 2.983 -0.698 11.094 1.00 0.16 C ATOM 582 O LEU A 126 2.606 -0.094 12.096 1.00 0.24 O ATOM 583 CB LEU A 126 5.217 -1.801 11.081 1.00 0.19 C ATOM 584 CG LEU A 126 6.124 -3.027 10.851 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.509 -4.319 11.367 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.499 -3.137 9.385 1.00 0.54 C ATOM 0 H LEU A 126 3.699 -2.901 9.284 1.00 0.13 H new ATOM 0 HA LEU A 126 3.509 -2.513 12.159 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.385 -1.103 10.261 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.549 -1.307 11.994 1.00 0.19 H new ATOM 0 HG LEU A 126 7.032 -2.872 11.433 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.191 -5.148 11.178 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.330 -4.234 12.439 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.565 -4.503 10.854 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.139 -4.007 9.237 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.595 -3.246 8.785 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.032 -2.238 9.077 1.00 0.54 H new ATOM 598 N SER A 127 2.792 -0.255 9.860 1.00 0.14 N ATOM 599 CA SER A 127 2.141 1.012 9.584 1.00 0.17 C ATOM 600 C SER A 127 1.362 0.933 8.275 1.00 0.19 C ATOM 601 O SER A 127 1.931 0.653 7.224 1.00 0.37 O ATOM 602 CB SER A 127 3.184 2.131 9.503 1.00 0.19 C ATOM 603 OG SER A 127 3.832 2.323 10.749 1.00 0.76 O ATOM 0 H SER A 127 3.084 -0.764 9.026 1.00 0.14 H new ATOM 0 HA SER A 127 1.445 1.231 10.394 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.923 1.887 8.740 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.702 3.059 9.195 1.00 0.19 H new ATOM 0 HG SER A 127 4.493 3.042 10.667 1.00 0.76 H new ATOM 609 N CYS A 128 0.060 1.141 8.345 1.00 0.18 N ATOM 610 CA CYS A 128 -0.762 1.210 7.148 1.00 0.17 C ATOM 611 C CYS A 128 -1.389 2.591 7.041 1.00 0.16 C ATOM 612 O CYS A 128 -1.715 3.210 8.057 1.00 0.28 O ATOM 613 CB CYS A 128 -1.844 0.129 7.172 1.00 0.21 C ATOM 614 SG CYS A 128 -2.816 0.097 8.696 1.00 0.72 S ATOM 0 H CYS A 128 -0.453 1.265 9.218 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.133 1.035 6.275 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.516 0.283 6.328 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.374 -0.844 7.032 1.00 0.21 H new ATOM 0 HG CYS A 128 -4.082 0.080 8.403 1.00 0.72 H new ATOM 620 N LYS A 129 -1.538 3.086 5.824 1.00 0.13 N ATOM 621 CA LYS A 129 -2.054 4.427 5.629 1.00 0.14 C ATOM 622 C LYS A 129 -2.971 4.501 4.417 1.00 0.12 C ATOM 623 O LYS A 129 -2.619 4.049 3.332 1.00 0.12 O ATOM 624 CB LYS A 129 -0.891 5.410 5.461 1.00 0.18 C ATOM 625 CG LYS A 129 -1.307 6.872 5.390 1.00 0.23 C ATOM 626 CD LYS A 129 -1.800 7.383 6.735 1.00 0.36 C ATOM 627 CE LYS A 129 -1.984 8.894 6.737 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.381 9.393 8.081 1.00 1.00 N ATOM 0 H LYS A 129 -1.311 2.584 4.965 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.638 4.695 6.509 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.200 5.282 6.294 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.345 5.156 4.552 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.461 7.475 5.059 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.094 6.991 4.645 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.747 6.902 6.981 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.089 7.103 7.512 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.056 9.375 6.429 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.744 9.170 6.006 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.498 10.426 8.047 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.279 8.952 8.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -1.644 9.151 8.773 1.00 1.00 H new ATOM 642 N VAL A 130 -4.147 5.064 4.627 1.00 0.15 N ATOM 643 CA VAL A 130 -5.063 5.400 3.557 1.00 0.17 C ATOM 644 C VAL A 130 -5.198 6.898 3.553 1.00 0.20 C ATOM 645 O VAL A 130 -5.750 7.480 4.485 1.00 0.24 O ATOM 646 CB VAL A 130 -6.474 4.794 3.723 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.350 5.177 2.535 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.418 3.285 3.875 1.00 0.21 C ATOM 0 H VAL A 130 -4.495 5.303 5.556 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.656 4.992 2.631 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.910 5.201 4.635 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.343 4.745 2.661 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.431 6.262 2.478 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.903 4.797 1.616 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.429 2.893 3.990 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.957 2.847 2.990 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.828 3.030 4.755 1.00 0.21 H new ATOM 658 N VAL A 131 -4.674 7.529 2.540 1.00 0.21 N ATOM 659 CA VAL A 131 -4.667 8.966 2.500 1.00 0.27 C ATOM 660 C VAL A 131 -6.033 9.451 2.045 1.00 0.33 C ATOM 661 O VAL A 131 -6.462 9.176 0.924 1.00 0.33 O ATOM 662 CB VAL A 131 -3.535 9.448 1.584 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.198 10.904 1.845 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.320 8.556 1.802 1.00 0.25 C ATOM 0 H VAL A 131 -4.247 7.074 1.733 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.478 9.383 3.489 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.856 9.380 0.545 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.392 11.216 1.180 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -4.078 11.520 1.662 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.881 11.024 2.881 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.506 8.886 1.157 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -2.006 8.618 2.844 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.578 7.525 1.561 1.00 0.25 H new ATOM 766 N GLY A 139 -7.456 8.082 -2.873 1.00 0.27 N ATOM 767 CA GLY A 139 -7.330 7.015 -3.838 1.00 0.26 C ATOM 768 C GLY A 139 -6.141 6.118 -3.586 1.00 0.21 C ATOM 769 O GLY A 139 -6.099 4.997 -4.066 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.239 6.414 -3.825 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.247 7.445 -4.836 1.00 0.26 H new ATOM 773 N TYR A 140 -5.175 6.584 -2.827 1.00 0.19 N ATOM 774 CA TYR A 140 -3.942 5.834 -2.670 1.00 0.15 C ATOM 775 C TYR A 140 -3.610 5.590 -1.207 1.00 0.13 C ATOM 776 O TYR A 140 -3.953 6.387 -0.330 1.00 0.16 O ATOM 777 CB TYR A 140 -2.790 6.547 -3.380 1.00 0.19 C ATOM 778 CG TYR A 140 -2.653 8.013 -3.031 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.404 8.975 -3.696 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.771 8.436 -2.044 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.281 10.315 -3.385 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.643 9.775 -1.729 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.399 10.710 -2.403 1.00 0.41 C ATOM 784 OH TYR A 140 -2.276 12.045 -2.092 1.00 0.49 O ATOM 0 H TYR A 140 -5.214 7.465 -2.314 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.087 4.858 -3.133 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.858 6.039 -3.134 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.930 6.454 -4.457 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.095 8.670 -4.468 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.176 7.706 -1.515 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.874 11.050 -3.909 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.954 10.088 -0.958 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.614 12.155 -1.378 1.00 0.49 H new ATOM 794 N GLY A 141 -2.950 4.470 -0.961 1.00 0.11 N ATOM 795 CA GLY A 141 -2.563 4.102 0.380 1.00 0.11 C ATOM 796 C GLY A 141 -1.217 3.413 0.395 1.00 0.10 C ATOM 797 O GLY A 141 -0.649 3.150 -0.664 1.00 0.12 O ATOM 0 H GLY A 141 -2.673 3.801 -1.680 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.525 4.993 1.007 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.316 3.442 0.810 1.00 0.11 H new ATOM 801 N PHE A 142 -0.704 3.121 1.580 1.00 0.10 N ATOM 802 CA PHE A 142 0.614 2.513 1.716 1.00 0.10 C ATOM 803 C PHE A 142 0.616 1.479 2.841 1.00 0.10 C ATOM 804 O PHE A 142 0.026 1.710 3.898 1.00 0.14 O ATOM 805 CB PHE A 142 1.672 3.588 2.011 1.00 0.12 C ATOM 806 CG PHE A 142 1.633 4.773 1.079 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.149 4.673 -0.201 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.084 5.988 1.483 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.121 5.752 -1.064 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.055 7.068 0.621 1.00 0.25 C ATOM 811 CZ PHE A 142 1.573 6.950 -0.653 1.00 0.22 C ATOM 0 H PHE A 142 -1.181 3.295 2.465 1.00 0.10 H new ATOM 0 HA PHE A 142 0.855 2.018 0.776 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.538 3.941 3.034 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.661 3.132 1.958 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.580 3.739 -0.530 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.677 6.087 2.479 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.528 5.658 -2.060 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.627 8.005 0.945 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.549 7.794 -1.327 1.00 0.22 H new ATOM 821 N VAL A 143 1.251 0.333 2.607 1.00 0.08 N ATOM 822 CA VAL A 143 1.425 -0.670 3.657 1.00 0.08 C ATOM 823 C VAL A 143 2.887 -0.815 4.039 1.00 0.08 C ATOM 824 O VAL A 143 3.766 -0.889 3.177 1.00 0.09 O ATOM 825 CB VAL A 143 0.916 -2.068 3.239 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.021 -3.063 4.395 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.508 -1.990 2.739 1.00 0.10 C ATOM 0 H VAL A 143 1.652 0.076 1.705 1.00 0.08 H new ATOM 0 HA VAL A 143 0.836 -0.310 4.500 1.00 0.08 H new ATOM 0 HB VAL A 143 1.551 -2.424 2.428 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.656 -4.037 4.071 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.062 -3.151 4.706 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.420 -2.711 5.234 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.847 -2.985 2.450 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.151 -1.603 3.530 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.555 -1.326 1.876 1.00 0.10 H new ATOM 837 N HIS A 144 3.139 -0.833 5.332 1.00 0.09 N ATOM 838 CA HIS A 144 4.421 -1.258 5.849 1.00 0.10 C ATOM 839 C HIS A 144 4.293 -2.661 6.401 1.00 0.10 C ATOM 840 O HIS A 144 3.719 -2.858 7.472 1.00 0.11 O ATOM 841 CB HIS A 144 4.887 -0.327 6.961 1.00 0.12 C ATOM 842 CG HIS A 144 5.872 0.686 6.507 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.786 1.274 7.347 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.097 1.198 5.284 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.535 2.109 6.661 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.132 2.093 5.407 1.00 0.21 N ATOM 0 H HIS A 144 2.467 -0.556 6.047 1.00 0.09 H new ATOM 0 HA HIS A 144 5.151 -1.234 5.040 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.022 0.183 7.385 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.330 -0.921 7.760 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.565 0.952 4.377 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.343 2.706 7.058 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.524 2.654 4.651 1.00 0.21 H new ATOM 855 N PHE A 145 4.823 -3.630 5.685 1.00 0.10 N ATOM 856 CA PHE A 145 4.768 -5.002 6.138 1.00 0.10 C ATOM 857 C PHE A 145 5.959 -5.327 7.003 1.00 0.13 C ATOM 858 O PHE A 145 7.071 -4.847 6.768 1.00 0.17 O ATOM 859 CB PHE A 145 4.689 -5.979 4.969 1.00 0.10 C ATOM 860 CG PHE A 145 3.286 -6.273 4.531 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.472 -7.094 5.293 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.782 -5.737 3.362 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.180 -7.374 4.895 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.493 -6.014 2.959 1.00 0.10 C ATOM 865 CZ PHE A 145 0.690 -6.833 3.726 1.00 0.10 C ATOM 0 H PHE A 145 5.295 -3.493 4.791 1.00 0.10 H new ATOM 0 HA PHE A 145 3.859 -5.111 6.730 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.247 -5.571 4.126 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.176 -6.912 5.252 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.852 -7.520 6.210 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.404 -5.094 2.757 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.555 -8.015 5.498 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.111 -5.590 2.042 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.320 -7.050 3.411 1.00 0.10 H new ATOM 875 N GLU A 146 5.690 -6.124 8.019 1.00 0.13 N ATOM 876 CA GLU A 146 6.709 -6.594 8.955 1.00 0.17 C ATOM 877 C GLU A 146 7.883 -7.204 8.204 1.00 0.19 C ATOM 878 O GLU A 146 9.045 -7.030 8.578 1.00 0.22 O ATOM 879 CB GLU A 146 6.099 -7.632 9.901 1.00 0.22 C ATOM 880 CG GLU A 146 7.026 -8.079 11.019 1.00 0.30 C ATOM 881 CD GLU A 146 6.383 -9.107 11.924 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.403 -10.306 11.578 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.849 -8.720 12.987 1.00 0.38 O ATOM 0 H GLU A 146 4.753 -6.470 8.225 1.00 0.13 H new ATOM 0 HA GLU A 146 7.072 -5.745 9.534 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.192 -7.217 10.341 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.801 -8.505 9.320 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.936 -8.497 10.588 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.322 -7.213 11.610 1.00 0.30 H new ATOM 890 N THR A 147 7.564 -7.911 7.138 1.00 0.22 N ATOM 891 CA THR A 147 8.573 -8.546 6.307 1.00 0.26 C ATOM 892 C THR A 147 8.435 -8.130 4.847 1.00 0.23 C ATOM 893 O THR A 147 7.337 -7.822 4.372 1.00 0.21 O ATOM 894 CB THR A 147 8.500 -10.081 6.399 1.00 0.33 C ATOM 895 OG1 THR A 147 7.169 -10.531 6.117 1.00 0.40 O ATOM 896 CG2 THR A 147 8.924 -10.567 7.773 1.00 0.35 C ATOM 0 H THR A 147 6.606 -8.062 6.823 1.00 0.22 H new ATOM 0 HA THR A 147 9.539 -8.213 6.686 1.00 0.26 H new ATOM 0 HB THR A 147 9.186 -10.495 5.660 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.135 -11.509 6.177 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.863 -11.655 7.809 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.950 -10.255 7.969 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.264 -10.141 8.529 1.00 0.35 H new ATOM 904 N GLN A 148 9.560 -8.118 4.146 1.00 0.24 N ATOM 905 CA GLN A 148 9.596 -7.789 2.728 1.00 0.23 C ATOM 906 C GLN A 148 8.753 -8.771 1.909 1.00 0.21 C ATOM 907 O GLN A 148 8.078 -8.373 0.956 1.00 0.21 O ATOM 908 CB GLN A 148 11.051 -7.807 2.244 1.00 0.28 C ATOM 909 CG GLN A 148 11.256 -7.274 0.833 1.00 0.31 C ATOM 910 CD GLN A 148 10.638 -5.905 0.611 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.261 -4.872 0.838 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.400 -5.888 0.162 1.00 0.38 N ATOM 0 H GLN A 148 10.473 -8.336 4.544 1.00 0.24 H new ATOM 0 HA GLN A 148 9.173 -6.794 2.588 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.656 -7.218 2.932 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.423 -8.831 2.289 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.324 -7.221 0.624 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.827 -7.978 0.120 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.910 -6.765 -0.017 1.00 0.38 H new ATOM 0 HE22 GLN A 148 8.931 -4.998 -0.007 1.00 0.38 H new ATOM 921 N GLU A 149 8.782 -10.046 2.294 1.00 0.22 N ATOM 922 CA GLU A 149 8.061 -11.083 1.559 1.00 0.22 C ATOM 923 C GLU A 149 6.545 -10.911 1.681 1.00 0.18 C ATOM 924 O GLU A 149 5.811 -11.167 0.727 1.00 0.17 O ATOM 925 CB GLU A 149 8.479 -12.482 2.025 1.00 0.28 C ATOM 926 CG GLU A 149 7.914 -12.868 3.372 1.00 0.35 C ATOM 927 CD GLU A 149 8.118 -14.330 3.695 1.00 0.47 C ATOM 928 OE1 GLU A 149 7.374 -15.171 3.150 1.00 0.74 O ATOM 929 OE2 GLU A 149 9.021 -14.648 4.499 1.00 0.62 O ATOM 0 H GLU A 149 9.295 -10.385 3.108 1.00 0.22 H new ATOM 0 HA GLU A 149 8.327 -10.975 0.507 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.158 -13.213 1.283 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.567 -12.530 2.070 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.384 -12.261 4.146 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.848 -12.641 3.392 1.00 0.35 H new ATOM 936 N ALA A 150 6.078 -10.458 2.845 1.00 0.17 N ATOM 937 CA ALA A 150 4.648 -10.281 3.075 1.00 0.15 C ATOM 938 C ALA A 150 4.101 -9.185 2.174 1.00 0.13 C ATOM 939 O ALA A 150 2.969 -9.259 1.694 1.00 0.13 O ATOM 940 CB ALA A 150 4.381 -9.957 4.536 1.00 0.18 C ATOM 0 H ALA A 150 6.668 -10.209 3.639 1.00 0.17 H new ATOM 0 HA ALA A 150 4.138 -11.213 2.833 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.310 -9.828 4.690 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.742 -10.773 5.162 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.900 -9.037 4.805 1.00 0.18 H new ATOM 946 N ALA A 151 4.930 -8.181 1.936 1.00 0.13 N ATOM 947 CA ALA A 151 4.577 -7.086 1.050 1.00 0.13 C ATOM 948 C ALA A 151 4.375 -7.591 -0.368 1.00 0.12 C ATOM 949 O ALA A 151 3.387 -7.256 -1.017 1.00 0.13 O ATOM 950 CB ALA A 151 5.659 -6.025 1.085 1.00 0.16 C ATOM 0 H ALA A 151 5.860 -8.103 2.349 1.00 0.13 H new ATOM 0 HA ALA A 151 3.640 -6.646 1.392 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.388 -5.207 0.418 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.764 -5.645 2.101 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.605 -6.459 0.761 1.00 0.16 H new ATOM 956 N GLU A 152 5.309 -8.414 -0.835 1.00 0.13 N ATOM 957 CA GLU A 152 5.217 -8.996 -2.166 1.00 0.14 C ATOM 958 C GLU A 152 3.935 -9.811 -2.306 1.00 0.12 C ATOM 959 O GLU A 152 3.279 -9.763 -3.345 1.00 0.15 O ATOM 960 CB GLU A 152 6.423 -9.888 -2.452 1.00 0.18 C ATOM 961 CG GLU A 152 7.762 -9.206 -2.234 1.00 0.26 C ATOM 962 CD GLU A 152 8.920 -10.058 -2.701 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.049 -11.204 -2.226 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.693 -9.591 -3.570 1.00 0.95 O ATOM 0 H GLU A 152 6.138 -8.692 -0.310 1.00 0.13 H new ATOM 0 HA GLU A 152 5.203 -8.180 -2.888 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.368 -10.770 -1.814 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.368 -10.236 -3.483 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.775 -8.255 -2.767 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.884 -8.979 -1.175 1.00 0.26 H new ATOM 971 N ARG A 153 3.585 -10.548 -1.250 1.00 0.10 N ATOM 972 CA ARG A 153 2.352 -11.330 -1.225 1.00 0.12 C ATOM 973 C ARG A 153 1.136 -10.428 -1.425 1.00 0.11 C ATOM 974 O ARG A 153 0.219 -10.757 -2.179 1.00 0.16 O ATOM 975 CB ARG A 153 2.181 -12.063 0.104 1.00 0.16 C ATOM 976 CG ARG A 153 3.295 -13.029 0.470 1.00 0.21 C ATOM 977 CD ARG A 153 2.970 -13.727 1.782 1.00 0.26 C ATOM 978 NE ARG A 153 4.076 -14.532 2.299 1.00 0.38 N ATOM 979 CZ ARG A 153 3.922 -15.484 3.220 1.00 0.80 C ATOM 980 NH1 ARG A 153 2.704 -15.819 3.632 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.979 -16.109 3.719 1.00 0.84 N ATOM 0 H ARG A 153 4.142 -10.618 -0.399 1.00 0.10 H new ATOM 0 HA ARG A 153 2.424 -12.055 -2.035 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.092 -11.322 0.898 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.241 -12.614 0.076 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.422 -13.767 -0.322 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.239 -12.491 0.559 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.696 -12.978 2.526 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.100 -14.367 1.639 1.00 0.26 H new ATOM 0 HE ARG A 153 5.013 -14.356 1.937 1.00 0.38 H new ATOM 0 HH11 ARG A 153 1.887 -15.348 3.244 1.00 1.48 H new ATOM 0 HH12 ARG A 153 2.586 -16.547 4.336 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.916 -15.862 3.399 1.00 0.84 H new ATOM 0 HH22 ARG A 153 4.856 -16.836 4.423 1.00 0.84 H new ATOM 995 N ALA A 154 1.129 -9.298 -0.727 1.00 0.09 N ATOM 996 CA ALA A 154 0.033 -8.346 -0.828 1.00 0.09 C ATOM 997 C ALA A 154 -0.050 -7.773 -2.234 1.00 0.09 C ATOM 998 O ALA A 154 -1.137 -7.595 -2.779 1.00 0.10 O ATOM 999 CB ALA A 154 0.199 -7.231 0.194 1.00 0.10 C ATOM 0 H ALA A 154 1.871 -9.020 -0.085 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.898 -8.871 -0.616 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.630 -6.529 0.104 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.207 -7.656 1.198 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.139 -6.709 0.013 1.00 0.10 H new ATOM 1005 N ILE A 155 1.110 -7.508 -2.821 1.00 0.09 N ATOM 1006 CA ILE A 155 1.186 -6.968 -4.173 1.00 0.10 C ATOM 1007 C ILE A 155 0.515 -7.895 -5.181 1.00 0.11 C ATOM 1008 O ILE A 155 -0.358 -7.472 -5.931 1.00 0.14 O ATOM 1009 CB ILE A 155 2.649 -6.739 -4.598 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.309 -5.710 -3.686 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.717 -6.289 -6.046 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.782 -5.519 -3.962 1.00 0.15 C ATOM 0 H ILE A 155 2.017 -7.659 -2.379 1.00 0.09 H new ATOM 0 HA ILE A 155 0.660 -6.014 -4.162 1.00 0.10 H new ATOM 0 HB ILE A 155 3.190 -7.681 -4.506 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.799 -4.754 -3.801 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.179 -6.018 -2.649 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.758 -6.132 -6.330 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.278 -7.055 -6.686 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.164 -5.357 -6.164 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.187 -4.774 -3.277 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.305 -6.465 -3.819 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.919 -5.180 -4.989 1.00 0.15 H new ATOM 1024 N GLU A 156 0.920 -9.157 -5.190 1.00 0.11 N ATOM 1025 CA GLU A 156 0.366 -10.122 -6.131 1.00 0.13 C ATOM 1026 C GLU A 156 -1.117 -10.345 -5.902 1.00 0.12 C ATOM 1027 O GLU A 156 -1.900 -10.430 -6.847 1.00 0.15 O ATOM 1028 CB GLU A 156 1.084 -11.474 -6.054 1.00 0.17 C ATOM 1029 CG GLU A 156 1.611 -11.840 -4.677 1.00 0.21 C ATOM 1030 CD GLU A 156 1.938 -13.310 -4.555 1.00 0.62 C ATOM 1031 OE1 GLU A 156 3.050 -13.715 -4.953 1.00 0.63 O ATOM 1032 OE2 GLU A 156 1.089 -14.069 -4.050 1.00 1.08 O ATOM 0 H GLU A 156 1.627 -9.536 -4.560 1.00 0.11 H new ATOM 0 HA GLU A 156 0.517 -9.693 -7.122 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.397 -12.253 -6.383 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.918 -11.467 -6.756 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.505 -11.253 -4.466 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.869 -11.572 -3.925 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.492 -10.437 -4.645 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.824 -10.863 -4.286 1.00 0.10 C ATOM 1041 C LYS A 157 -3.848 -9.734 -4.365 1.00 0.08 C ATOM 1042 O LYS A 157 -4.963 -9.939 -4.838 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.805 -11.453 -2.879 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.523 -12.788 -2.785 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.996 -12.665 -3.154 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.885 -12.461 -1.933 1.00 0.29 C ATOM 1047 NZ LYS A 157 -5.816 -13.621 -0.998 1.00 1.16 N ATOM 0 H LYS A 157 -0.889 -10.221 -3.852 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.132 -11.618 -5.010 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.771 -11.580 -2.558 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.269 -10.748 -2.189 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.041 -13.507 -3.447 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.434 -13.178 -1.771 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.127 -11.828 -3.840 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.311 -13.564 -3.684 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.582 -11.554 -1.410 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.916 -12.314 -2.254 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -6.771 -14.005 -0.850 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.206 -14.359 -1.404 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.423 -13.310 -0.087 1.00 1.16 H new ATOM 1061 N MET A 158 -3.467 -8.542 -3.937 1.00 0.07 N ATOM 1062 CA MET A 158 -4.424 -7.446 -3.837 1.00 0.08 C ATOM 1063 C MET A 158 -4.483 -6.617 -5.106 1.00 0.09 C ATOM 1064 O MET A 158 -5.451 -5.891 -5.326 1.00 0.13 O ATOM 1065 CB MET A 158 -4.108 -6.541 -2.649 1.00 0.09 C ATOM 1066 CG MET A 158 -4.274 -7.227 -1.309 1.00 0.10 C ATOM 1067 SD MET A 158 -5.949 -7.847 -1.058 1.00 0.35 S ATOM 1068 CE MET A 158 -6.892 -6.335 -1.238 1.00 0.18 C ATOM 0 H MET A 158 -2.515 -8.307 -3.656 1.00 0.07 H new ATOM 0 HA MET A 158 -5.401 -7.906 -3.687 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.084 -6.180 -2.739 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.758 -5.667 -2.684 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.568 -8.055 -1.238 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.025 -6.526 -0.512 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.928 -6.517 -0.954 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.469 -5.564 -0.594 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.853 -6.003 -2.276 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.458 -6.713 -5.935 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.440 -5.952 -7.174 1.00 0.10 C ATOM 1080 C ASN A 159 -4.540 -6.455 -8.107 1.00 0.13 C ATOM 1081 O ASN A 159 -4.580 -7.637 -8.453 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.071 -6.077 -7.854 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.969 -5.290 -9.150 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.757 -4.381 -9.409 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.956 -5.597 -9.947 1.00 0.38 N ATOM 0 H ASN A 159 -2.639 -7.300 -5.778 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.620 -4.901 -6.947 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.299 -5.733 -7.166 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.870 -7.128 -8.059 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.808 -5.073 -10.809 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.324 -6.358 -9.698 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.426 -5.559 -8.513 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.503 -5.930 -9.408 1.00 0.19 C ATOM 1094 C GLY A 160 -7.704 -6.509 -8.683 1.00 0.22 C ATOM 1095 O GLY A 160 -8.446 -7.306 -9.252 1.00 0.29 O ATOM 0 H GLY A 160 -5.419 -4.577 -8.238 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.816 -5.053 -9.974 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.134 -6.660 -10.129 1.00 0.19 H new ATOM 1099 N MET A 161 -7.890 -6.126 -7.424 1.00 0.22 N ATOM 1100 CA MET A 161 -9.052 -6.549 -6.665 1.00 0.27 C ATOM 1101 C MET A 161 -9.961 -5.373 -6.368 1.00 0.24 C ATOM 1102 O MET A 161 -9.505 -4.237 -6.319 1.00 0.23 O ATOM 1103 CB MET A 161 -8.626 -7.171 -5.353 1.00 0.32 C ATOM 1104 CG MET A 161 -7.810 -8.441 -5.488 1.00 0.68 C ATOM 1105 SD MET A 161 -8.444 -9.576 -6.739 1.00 1.18 S ATOM 1106 CE MET A 161 -10.054 -9.972 -6.067 1.00 1.04 C ATOM 0 H MET A 161 -7.247 -5.522 -6.911 1.00 0.22 H new ATOM 0 HA MET A 161 -9.590 -7.281 -7.267 1.00 0.27 H new ATOM 0 HB2 MET A 161 -8.044 -6.440 -4.792 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.517 -7.389 -4.764 1.00 0.32 H new ATOM 0 HG2 MET A 161 -6.782 -8.178 -5.736 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.785 -8.951 -4.525 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.551 -10.694 -6.715 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.938 -10.399 -5.071 1.00 1.04 H new ATOM 0 HE3 MET A 161 -10.656 -9.065 -6.005 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.230 -5.652 -6.116 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.192 -4.604 -5.815 1.00 0.26 C ATOM 1118 C LEU A 162 -12.289 -4.443 -4.328 1.00 0.28 C ATOM 1119 O LEU A 162 -12.918 -5.256 -3.650 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.602 -4.907 -6.340 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.864 -4.644 -7.820 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -15.318 -4.938 -8.134 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.558 -3.204 -8.177 1.00 0.34 C ATOM 0 H LEU A 162 -11.618 -6.595 -6.114 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.833 -3.701 -6.309 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.820 -5.956 -6.139 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.313 -4.317 -5.761 1.00 0.31 H new ATOM 0 HG LEU A 162 -13.214 -5.293 -8.406 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.507 -4.751 -9.191 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.536 -5.981 -7.906 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.958 -4.294 -7.531 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.753 -3.043 -9.237 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.190 -2.541 -7.587 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.510 -2.991 -7.964 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.663 -3.425 -3.802 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.853 -3.127 -2.415 1.00 0.33 C ATOM 1137 C LEU A 163 -13.111 -2.297 -2.266 1.00 0.45 C ATOM 1138 O LEU A 163 -13.122 -1.105 -2.578 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.640 -2.427 -1.807 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.541 -3.374 -1.328 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.343 -2.596 -0.817 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.078 -4.291 -0.240 1.00 0.34 C ATOM 0 H LEU A 163 -11.030 -2.801 -4.303 1.00 0.25 H new ATOM 0 HA LEU A 163 -11.966 -4.060 -1.863 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.219 -1.746 -2.547 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -10.971 -1.818 -0.966 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.217 -3.981 -2.174 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.574 -3.291 -0.481 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -7.945 -1.973 -1.618 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.649 -1.963 0.016 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.286 -4.962 0.094 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.425 -3.692 0.602 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.908 -4.877 -0.635 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.178 -2.970 -1.849 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.506 -2.374 -1.729 1.00 0.42 C ATOM 1156 C ASN A 164 -16.145 -2.162 -3.090 1.00 0.45 C ATOM 1157 O ASN A 164 -17.083 -2.859 -3.470 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.473 -1.054 -0.944 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.198 -1.251 0.530 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.419 -2.329 1.081 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.745 -0.197 1.185 1.00 1.07 N ATOM 0 H ASN A 164 -14.146 -3.954 -1.582 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.117 -3.082 -1.169 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.707 -0.405 -1.367 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.427 -0.542 -1.065 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.565 -0.258 2.187 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.575 0.678 0.689 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.615 -1.215 -3.817 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.196 -0.791 -5.078 1.00 0.44 C ATOM 1170 C ASP A 165 -15.131 -0.342 -6.084 1.00 0.43 C ATOM 1171 O ASP A 165 -15.441 -0.001 -7.226 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.186 0.344 -4.794 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.850 0.918 -6.032 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.752 0.255 -6.590 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.450 2.014 -6.475 1.00 0.85 O ATOM 0 H ASP A 165 -14.767 -0.711 -3.558 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.710 -1.638 -5.532 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -17.959 -0.024 -4.119 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.662 1.145 -4.272 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.870 -0.386 -5.684 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.797 0.140 -6.517 1.00 0.27 C ATOM 1182 C ARG A 166 -11.658 -0.859 -6.609 1.00 0.24 C ATOM 1183 O ARG A 166 -11.185 -1.369 -5.594 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.282 1.473 -5.969 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.333 2.570 -5.938 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.746 3.903 -5.504 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.786 4.915 -5.322 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.676 5.989 -4.537 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.564 6.208 -3.845 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.689 6.841 -4.443 1.00 0.70 N ATOM 0 H ARG A 166 -13.564 -0.778 -4.793 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.199 0.310 -7.516 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -11.902 1.318 -4.959 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.441 1.805 -6.578 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.779 2.674 -6.927 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.134 2.286 -5.256 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.197 3.773 -4.572 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.030 4.246 -6.251 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.660 4.791 -5.833 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.785 5.553 -3.911 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.489 7.031 -3.248 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.547 6.674 -4.969 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.610 7.663 -3.845 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.243 -1.149 -7.830 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.164 -2.088 -8.065 1.00 0.20 C ATOM 1206 C LYS A 167 -8.841 -1.421 -7.751 1.00 0.17 C ATOM 1207 O LYS A 167 -8.494 -0.402 -8.348 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.188 -2.574 -9.515 1.00 0.23 C ATOM 1209 CG LYS A 167 -10.127 -4.086 -9.648 1.00 0.40 C ATOM 1210 CD LYS A 167 -10.387 -4.530 -11.074 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.709 -6.014 -11.141 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.998 -6.452 -12.529 1.00 1.00 N ATOM 0 H LYS A 167 -11.641 -0.744 -8.677 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.291 -2.954 -7.415 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.096 -2.211 -9.997 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.346 -2.136 -10.051 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -9.147 -4.441 -9.328 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.863 -4.540 -8.985 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -11.216 -3.957 -11.490 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.512 -4.318 -11.688 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.870 -6.586 -10.746 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.568 -6.229 -10.506 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -11.213 -7.470 -12.534 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.815 -5.924 -12.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -10.169 -6.270 -13.130 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.097 -2.006 -6.835 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.883 -1.389 -6.351 1.00 0.12 C ATOM 1228 C VAL A 168 -5.664 -2.009 -6.996 1.00 0.11 C ATOM 1229 O VAL A 168 -5.598 -3.219 -7.211 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.739 -1.495 -4.814 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.760 -0.619 -4.109 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.867 -2.940 -4.350 1.00 0.13 C ATOM 0 H VAL A 168 -8.313 -2.908 -6.412 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.952 -0.335 -6.621 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.743 -1.139 -4.551 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.636 -0.713 -3.030 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.612 0.420 -4.402 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.765 -0.935 -4.388 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.762 -2.985 -3.266 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.844 -3.329 -4.636 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.087 -3.542 -4.815 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.712 -1.163 -7.321 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.456 -1.602 -7.881 1.00 0.12 C ATOM 1244 C PHE A 169 -2.378 -1.481 -6.822 1.00 0.10 C ATOM 1245 O PHE A 169 -2.156 -0.406 -6.269 1.00 0.12 O ATOM 1246 CB PHE A 169 -3.111 -0.773 -9.127 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.659 -0.806 -9.513 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.156 -1.852 -10.271 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.801 0.202 -9.117 1.00 0.18 C ATOM 1250 CE1 PHE A 169 0.179 -1.886 -10.627 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.535 0.175 -9.469 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.024 -0.862 -10.232 1.00 0.26 C ATOM 0 H PHE A 169 -4.788 -0.153 -7.204 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.530 -2.644 -8.192 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.705 -1.136 -9.966 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.404 0.262 -8.952 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -1.814 -2.648 -10.586 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -1.179 1.022 -8.525 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.562 -2.709 -11.212 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.195 0.966 -9.146 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.064 -0.877 -10.522 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.741 -2.591 -6.519 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.697 -2.608 -5.516 1.00 0.10 C ATOM 1264 C VAL A 170 0.627 -2.971 -6.166 1.00 0.11 C ATOM 1265 O VAL A 170 0.712 -3.949 -6.910 1.00 0.13 O ATOM 1266 CB VAL A 170 -0.990 -3.623 -4.377 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.054 -3.534 -3.277 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.381 -3.437 -3.788 1.00 0.09 C ATOM 0 H VAL A 170 -1.928 -3.495 -6.953 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.654 -1.611 -5.077 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.945 -4.615 -4.826 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.179 -4.257 -2.495 1.00 0.11 H new ATOM 0 HG12 VAL A 170 1.038 -3.752 -3.691 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.053 -2.529 -2.855 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.541 -4.168 -2.996 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.471 -2.431 -3.377 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.129 -3.578 -4.569 1.00 0.09 H new ATOM 1278 N GLY A 171 1.649 -2.178 -5.894 1.00 0.12 N ATOM 1279 CA GLY A 171 2.958 -2.442 -6.448 1.00 0.14 C ATOM 1280 C GLY A 171 4.064 -2.118 -5.466 1.00 0.14 C ATOM 1281 O GLY A 171 3.808 -1.933 -4.273 1.00 0.18 O ATOM 0 H GLY A 171 1.595 -1.353 -5.297 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.025 -3.491 -6.737 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.094 -1.853 -7.355 1.00 0.14 H new ATOM 1285 N ARG A 172 5.287 -2.037 -5.964 1.00 0.18 N ATOM 1286 CA ARG A 172 6.443 -1.773 -5.118 1.00 0.19 C ATOM 1287 C ARG A 172 6.466 -0.298 -4.728 1.00 0.22 C ATOM 1288 O ARG A 172 6.266 0.574 -5.570 1.00 0.36 O ATOM 1289 CB ARG A 172 7.737 -2.155 -5.848 1.00 0.23 C ATOM 1290 CG ARG A 172 7.750 -3.589 -6.372 1.00 0.32 C ATOM 1291 CD ARG A 172 8.012 -4.614 -5.274 1.00 0.39 C ATOM 1292 NE ARG A 172 7.661 -5.967 -5.710 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.235 -7.081 -5.257 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.223 -7.021 -4.378 1.00 1.34 N ATOM 1295 NH2 ARG A 172 7.815 -8.263 -5.692 1.00 1.93 N ATOM 0 H ARG A 172 5.507 -2.151 -6.954 1.00 0.18 H new ATOM 0 HA ARG A 172 6.370 -2.378 -4.214 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.887 -1.472 -6.684 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.579 -2.018 -5.170 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.793 -3.807 -6.846 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.516 -3.683 -7.142 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.064 -4.583 -4.989 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.434 -4.355 -4.387 1.00 0.39 H new ATOM 0 HE ARG A 172 6.925 -6.064 -6.410 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.552 -6.116 -4.041 1.00 1.34 H new ATOM 0 HH12 ARG A 172 9.656 -7.880 -4.038 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.055 -8.316 -6.371 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.252 -9.118 -5.348 1.00 1.93 H new