USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 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= -5.88! K(o=-8.3!,f=-4.7) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.41 K(o=-8.3,f=-7.3!) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 148:sc= 0.0317 USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= -0.181 (180deg=-0.886) USER MOD Single : A 105 ASN : amide:sc= 1.01 K(o=1,f=-1.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.949 K(o=0.95,f=-5.7!) USER MOD Single : A 113 LYS NZ :NH3+ -154:sc= -0.332 (180deg=-1.13!) USER MOD Single : A 118 THR OG1 : rot 79:sc= 1 USER MOD Single : A 124 ASN : amide:sc= 1.24 K(o=1.2,f=-0.62) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 131:sc= -3.51! 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= 0.0217 USER MOD Single : A 148 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.083) USER MOD Single : A 157 LYS NZ :NH3+ -125:sc= 0.0472 (180deg=-0.937) USER MOD Single : A 158 MET CE :methyl -176:sc= -1.37 (180deg=-1.39) USER MOD Single : A 159 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.5!) USER MOD Single : A 161 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.7!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.088 -1.556 4.597 1.00 0.29 N ATOM 141 CA VAL A 98 10.855 -2.997 4.415 1.00 0.33 C ATOM 142 C VAL A 98 9.376 -3.341 4.320 1.00 0.25 C ATOM 143 O VAL A 98 8.576 -2.979 5.182 1.00 0.27 O ATOM 144 CB VAL A 98 11.497 -3.855 5.518 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.017 -5.298 5.422 1.00 0.47 C ATOM 146 CG2 VAL A 98 13.004 -3.808 5.414 1.00 0.71 C ATOM 0 HA VAL A 98 11.337 -3.235 3.467 1.00 0.33 H new ATOM 0 HB VAL A 98 11.196 -3.448 6.483 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.482 -5.889 6.211 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.933 -5.329 5.536 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.292 -5.709 4.450 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.442 -4.420 6.202 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.314 -4.191 4.442 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.344 -2.778 5.523 1.00 0.71 H new ATOM 156 N GLY A 99 9.013 -4.052 3.267 1.00 0.21 N ATOM 157 CA GLY A 99 7.640 -4.459 3.115 1.00 0.20 C ATOM 158 C GLY A 99 6.759 -3.296 2.727 1.00 0.15 C ATOM 159 O GLY A 99 5.563 -3.288 3.003 1.00 0.18 O ATOM 0 H GLY A 99 9.641 -4.352 2.521 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.572 -5.238 2.355 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.282 -4.892 4.049 1.00 0.20 H new ATOM 163 N ASN A 100 7.369 -2.299 2.109 1.00 0.13 N ATOM 164 CA ASN A 100 6.684 -1.056 1.787 1.00 0.14 C ATOM 165 C ASN A 100 6.056 -1.181 0.407 1.00 0.14 C ATOM 166 O ASN A 100 6.747 -1.483 -0.572 1.00 0.19 O ATOM 167 CB ASN A 100 7.706 0.090 1.799 1.00 0.21 C ATOM 168 CG ASN A 100 8.254 0.388 3.179 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.836 1.447 3.403 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.049 -0.524 4.125 1.00 0.20 N ATOM 0 H ASN A 100 8.346 -2.326 1.817 1.00 0.13 H new ATOM 0 HA ASN A 100 5.903 -0.851 2.519 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.532 -0.162 1.134 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.238 0.990 1.399 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.379 -0.356 5.075 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.562 -1.391 3.900 1.00 0.20 H new ATOM 177 N ILE A 101 4.757 -0.958 0.330 1.00 0.12 N ATOM 178 CA ILE A 101 4.042 -1.001 -0.937 1.00 0.13 C ATOM 179 C ILE A 101 3.087 0.170 -1.031 1.00 0.12 C ATOM 180 O ILE A 101 2.771 0.797 -0.018 1.00 0.15 O ATOM 181 CB ILE A 101 3.254 -2.318 -1.121 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.238 -2.497 0.010 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.204 -3.506 -1.197 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.502 -3.818 -0.033 1.00 0.13 C ATOM 0 H ILE A 101 4.170 -0.743 1.136 1.00 0.12 H new ATOM 0 HA ILE A 101 4.788 -0.945 -1.729 1.00 0.13 H new ATOM 0 HB ILE A 101 2.707 -2.266 -2.062 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.754 -2.410 0.966 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.512 -1.686 -0.035 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.630 -4.423 -1.327 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.879 -3.378 -2.043 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.784 -3.568 -0.276 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.800 -3.871 0.799 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.957 -3.900 -0.973 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.218 -4.636 0.044 1.00 0.13 H new ATOM 196 N PHE A 102 2.620 0.461 -2.230 1.00 0.11 N ATOM 197 CA PHE A 102 1.638 1.513 -2.406 1.00 0.11 C ATOM 198 C PHE A 102 0.427 0.968 -3.152 1.00 0.09 C ATOM 199 O PHE A 102 0.553 0.116 -4.035 1.00 0.11 O ATOM 200 CB PHE A 102 2.256 2.731 -3.117 1.00 0.16 C ATOM 201 CG PHE A 102 1.890 2.888 -4.566 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.775 3.627 -4.927 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.662 2.314 -5.562 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.433 3.788 -6.252 1.00 0.17 C ATOM 205 CE2 PHE A 102 2.325 2.474 -6.893 1.00 0.21 C ATOM 206 CZ PHE A 102 1.208 3.211 -7.239 1.00 0.20 C ATOM 0 H PHE A 102 2.902 -0.011 -3.089 1.00 0.11 H new ATOM 0 HA PHE A 102 1.304 1.858 -1.427 1.00 0.11 H new ATOM 0 HB2 PHE A 102 1.954 3.633 -2.584 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.341 2.663 -3.040 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.166 4.083 -4.160 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.535 1.736 -5.297 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.440 4.365 -6.519 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.934 2.023 -7.662 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.942 3.335 -8.278 1.00 0.20 H new ATOM 216 N ILE A 103 -0.740 1.447 -2.762 1.00 0.08 N ATOM 217 CA ILE A 103 -1.998 0.994 -3.327 1.00 0.08 C ATOM 218 C ILE A 103 -2.722 2.163 -3.983 1.00 0.08 C ATOM 219 O ILE A 103 -2.774 3.252 -3.419 1.00 0.15 O ATOM 220 CB ILE A 103 -2.899 0.397 -2.231 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.150 -0.685 -1.454 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.173 -0.178 -2.835 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.460 -0.678 0.021 1.00 0.09 C ATOM 0 H ILE A 103 -0.842 2.163 -2.043 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.783 0.227 -4.071 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.173 1.197 -1.543 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.403 -1.661 -1.867 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.078 -0.548 -1.594 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.795 -0.595 -2.043 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.721 0.612 -3.349 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.916 -0.963 -3.546 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.897 -1.470 0.515 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.181 0.286 0.447 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.527 -0.845 0.169 1.00 0.09 H new ATOM 235 N LYS A 104 -3.273 1.942 -5.165 1.00 0.13 N ATOM 236 CA LYS A 104 -3.963 2.998 -5.890 1.00 0.13 C ATOM 237 C LYS A 104 -5.421 2.623 -6.142 1.00 0.12 C ATOM 238 O LYS A 104 -5.759 1.441 -6.184 1.00 0.14 O ATOM 239 CB LYS A 104 -3.264 3.261 -7.225 1.00 0.19 C ATOM 240 CG LYS A 104 -3.134 4.741 -7.567 1.00 0.28 C ATOM 241 CD LYS A 104 -2.386 4.968 -8.875 1.00 0.39 C ATOM 242 CE LYS A 104 -3.286 4.757 -10.085 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.478 5.645 -10.047 1.00 1.46 N ATOM 0 H LYS A 104 -3.256 1.041 -5.644 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.936 3.901 -5.281 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.270 2.814 -7.199 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.817 2.761 -8.020 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.127 5.184 -7.637 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.613 5.254 -6.759 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -1.984 5.981 -8.893 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.536 4.287 -8.931 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.720 4.947 -10.997 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.609 3.716 -10.121 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.837 5.785 -11.013 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.218 5.207 -9.462 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.213 6.564 -9.639 1.00 1.46 H new ATOM 257 N ASN A 105 -6.265 3.645 -6.291 1.00 0.12 N ATOM 258 CA ASN A 105 -7.680 3.492 -6.652 1.00 0.13 C ATOM 259 C ASN A 105 -8.504 2.959 -5.479 1.00 0.15 C ATOM 260 O ASN A 105 -9.489 2.244 -5.668 1.00 0.25 O ATOM 261 CB ASN A 105 -7.847 2.582 -7.874 1.00 0.16 C ATOM 262 CG ASN A 105 -9.165 2.827 -8.596 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.671 3.951 -8.629 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.738 1.779 -9.162 1.00 0.34 N ATOM 0 H ASN A 105 -5.983 4.617 -6.163 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.054 4.484 -6.907 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -7.020 2.748 -8.564 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.795 1.540 -7.559 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.629 1.885 -9.647 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.289 0.864 -9.114 1.00 0.34 H new ATOM 271 N LEU A 106 -8.114 3.331 -4.266 1.00 0.14 N ATOM 272 CA LEU A 106 -8.854 2.932 -3.072 1.00 0.17 C ATOM 273 C LEU A 106 -10.154 3.711 -2.943 1.00 0.22 C ATOM 274 O LEU A 106 -10.281 4.822 -3.460 1.00 0.26 O ATOM 275 CB LEU A 106 -8.005 3.131 -1.817 1.00 0.16 C ATOM 276 CG LEU A 106 -6.939 2.062 -1.595 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.888 2.548 -0.624 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.579 0.793 -1.064 1.00 0.16 C ATOM 0 H LEU A 106 -7.292 3.907 -4.082 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.094 1.874 -3.174 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.518 4.105 -1.874 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.664 3.155 -0.949 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.459 1.852 -2.551 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.138 1.770 -0.480 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.411 3.443 -1.022 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.356 2.782 0.332 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.811 0.036 -0.909 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.076 1.005 -0.118 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.310 0.426 -1.784 1.00 0.16 H new ATOM 290 N ASP A 107 -11.119 3.111 -2.259 1.00 0.27 N ATOM 291 CA ASP A 107 -12.410 3.745 -2.043 1.00 0.32 C ATOM 292 C ASP A 107 -12.350 4.696 -0.856 1.00 0.30 C ATOM 293 O ASP A 107 -11.546 4.512 0.058 1.00 0.26 O ATOM 294 CB ASP A 107 -13.494 2.686 -1.816 1.00 0.37 C ATOM 295 CG ASP A 107 -14.866 3.298 -1.620 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.527 3.626 -2.626 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.283 3.461 -0.460 1.00 0.71 O ATOM 0 H ASP A 107 -11.030 2.184 -1.844 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.661 4.320 -2.935 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.520 2.008 -2.669 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.237 2.089 -0.941 1.00 0.37 H new ATOM 302 N LYS A 108 -13.199 5.714 -0.888 1.00 0.38 N ATOM 303 CA LYS A 108 -13.268 6.716 0.175 1.00 0.43 C ATOM 304 C LYS A 108 -13.522 6.082 1.546 1.00 0.36 C ATOM 305 O LYS A 108 -13.018 6.562 2.561 1.00 0.46 O ATOM 306 CB LYS A 108 -14.364 7.744 -0.131 1.00 0.55 C ATOM 307 CG LYS A 108 -15.775 7.165 -0.178 1.00 0.57 C ATOM 308 CD LYS A 108 -16.812 8.256 -0.326 1.00 0.90 C ATOM 309 CE LYS A 108 -18.214 7.682 -0.447 1.00 1.21 C ATOM 310 NZ LYS A 108 -19.242 8.750 -0.524 1.00 2.20 N ATOM 0 H LYS A 108 -13.860 5.871 -1.649 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.299 7.214 0.211 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.331 8.528 0.625 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.146 8.216 -1.089 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.857 6.467 -1.012 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -15.968 6.598 0.733 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.764 8.923 0.535 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.586 8.856 -1.208 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.274 7.055 -1.336 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.419 7.041 0.410 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -20.185 8.319 -0.606 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -19.201 9.334 0.336 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -19.061 9.347 -1.356 1.00 2.20 H new ATOM 324 N SER A 109 -14.301 5.010 1.566 1.00 0.31 N ATOM 325 CA SER A 109 -14.659 4.338 2.808 1.00 0.40 C ATOM 326 C SER A 109 -13.548 3.411 3.312 1.00 0.34 C ATOM 327 O SER A 109 -13.683 2.791 4.369 1.00 0.43 O ATOM 328 CB SER A 109 -15.962 3.562 2.622 1.00 0.56 C ATOM 329 OG SER A 109 -17.016 4.439 2.263 1.00 1.41 O ATOM 0 H SER A 109 -14.700 4.584 0.730 1.00 0.31 H new ATOM 0 HA SER A 109 -14.798 5.106 3.569 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.833 2.804 1.850 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.215 3.038 3.544 1.00 0.56 H new ATOM 0 HG SER A 109 -17.843 3.926 2.146 1.00 1.41 H new ATOM 335 N ILE A 110 -12.465 3.292 2.557 1.00 0.23 N ATOM 336 CA ILE A 110 -11.331 2.501 3.008 1.00 0.20 C ATOM 337 C ILE A 110 -10.505 3.297 4.016 1.00 0.20 C ATOM 338 O ILE A 110 -9.964 4.355 3.695 1.00 0.26 O ATOM 339 CB ILE A 110 -10.443 2.043 1.828 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.204 1.038 0.957 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.140 1.433 2.330 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.560 -0.245 1.680 1.00 0.23 C ATOM 0 H ILE A 110 -12.348 3.727 1.642 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.722 1.605 3.490 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.195 2.917 1.225 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.119 1.505 0.593 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.599 0.797 0.083 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.534 1.119 1.480 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.592 2.174 2.913 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.361 0.569 2.957 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.097 -0.908 1.002 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.648 -0.736 2.021 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.191 -0.016 2.538 1.00 0.23 H new ATOM 354 N ASP A 111 -10.447 2.798 5.241 1.00 0.17 N ATOM 355 CA ASP A 111 -9.704 3.436 6.302 1.00 0.18 C ATOM 356 C ASP A 111 -8.432 2.640 6.563 1.00 0.14 C ATOM 357 O ASP A 111 -8.180 1.638 5.886 1.00 0.13 O ATOM 358 CB ASP A 111 -10.563 3.497 7.564 1.00 0.23 C ATOM 359 CG ASP A 111 -11.929 4.118 7.328 1.00 1.01 C ATOM 360 OD1 ASP A 111 -12.010 5.358 7.201 1.00 1.23 O ATOM 361 OD2 ASP A 111 -12.932 3.373 7.281 1.00 1.59 O ATOM 0 H ASP A 111 -10.917 1.937 5.522 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.438 4.453 6.013 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -10.692 2.489 7.957 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.037 4.071 8.327 1.00 0.23 H new ATOM 366 N ASN A 112 -7.650 3.043 7.559 1.00 0.15 N ATOM 367 CA ASN A 112 -6.378 2.382 7.833 1.00 0.13 C ATOM 368 C ASN A 112 -6.646 0.993 8.357 1.00 0.11 C ATOM 369 O ASN A 112 -5.877 0.061 8.128 1.00 0.12 O ATOM 370 CB ASN A 112 -5.553 3.151 8.864 1.00 0.16 C ATOM 371 CG ASN A 112 -5.169 4.544 8.402 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.098 4.819 7.209 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.892 5.428 9.346 1.00 0.55 N ATOM 0 H ASN A 112 -7.871 3.817 8.185 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.810 2.343 6.903 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.121 3.226 9.791 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.648 2.587 9.089 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.608 6.374 9.091 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.962 5.164 10.329 1.00 0.55 H new ATOM 380 N LYS A 113 -7.767 0.871 9.046 1.00 0.12 N ATOM 381 CA LYS A 113 -8.208 -0.367 9.604 1.00 0.12 C ATOM 382 C LYS A 113 -8.582 -1.306 8.492 1.00 0.11 C ATOM 383 O LYS A 113 -8.193 -2.456 8.475 1.00 0.11 O ATOM 384 CB LYS A 113 -9.450 -0.081 10.396 1.00 0.15 C ATOM 385 CG LYS A 113 -9.637 -0.921 11.651 1.00 0.28 C ATOM 386 CD LYS A 113 -9.401 -2.418 11.440 1.00 0.54 C ATOM 387 CE LYS A 113 -10.667 -3.188 11.053 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.810 -2.870 11.947 1.00 2.58 N ATOM 0 H LYS A 113 -8.398 1.651 9.229 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.424 -0.809 10.220 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.443 0.971 10.682 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.314 -0.229 9.749 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.955 -0.561 12.421 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.649 -0.773 12.027 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.651 -2.553 10.661 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.991 -2.845 12.355 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -10.935 -2.950 10.024 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.465 -4.259 11.090 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.473 -3.671 11.962 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.459 -2.693 12.910 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.300 -2.022 11.596 1.00 2.58 H new ATOM 402 N ALA A 114 -9.366 -0.776 7.577 1.00 0.11 N ATOM 403 CA ALA A 114 -9.888 -1.543 6.455 1.00 0.12 C ATOM 404 C ALA A 114 -8.758 -2.065 5.587 1.00 0.11 C ATOM 405 O ALA A 114 -8.774 -3.214 5.135 1.00 0.13 O ATOM 406 CB ALA A 114 -10.820 -0.669 5.635 1.00 0.15 C ATOM 0 H ALA A 114 -9.662 0.200 7.586 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.441 -2.400 6.841 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.211 -1.243 4.795 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.647 -0.332 6.260 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.272 0.196 5.260 1.00 0.15 H new ATOM 412 N LEU A 115 -7.775 -1.212 5.370 1.00 0.09 N ATOM 413 CA LEU A 115 -6.598 -1.582 4.613 1.00 0.09 C ATOM 414 C LEU A 115 -5.802 -2.620 5.406 1.00 0.08 C ATOM 415 O LEU A 115 -5.424 -3.666 4.876 1.00 0.09 O ATOM 416 CB LEU A 115 -5.772 -0.315 4.350 1.00 0.10 C ATOM 417 CG LEU A 115 -4.770 -0.377 3.194 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.116 0.977 2.994 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.714 -1.429 3.445 1.00 0.11 C ATOM 0 H LEU A 115 -7.771 -0.251 5.711 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.868 -2.025 3.655 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.461 0.508 4.159 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.226 -0.069 5.261 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.315 -0.649 2.290 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.406 0.920 2.169 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.880 1.720 2.764 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.592 1.266 3.905 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.016 -1.451 2.608 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.174 -1.191 4.362 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.189 -2.405 3.547 1.00 0.11 H new ATOM 431 N TYR A 116 -5.595 -2.345 6.687 1.00 0.08 N ATOM 432 CA TYR A 116 -4.924 -3.281 7.575 1.00 0.09 C ATOM 433 C TYR A 116 -5.657 -4.611 7.625 1.00 0.10 C ATOM 434 O TYR A 116 -5.044 -5.659 7.471 1.00 0.11 O ATOM 435 CB TYR A 116 -4.809 -2.704 8.989 1.00 0.10 C ATOM 436 CG TYR A 116 -4.372 -3.722 10.020 1.00 0.13 C ATOM 437 CD1 TYR A 116 -3.040 -4.092 10.134 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.293 -4.320 10.870 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.636 -5.030 11.064 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.899 -5.259 11.802 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.571 -5.610 11.897 1.00 0.23 C ATOM 442 OH TYR A 116 -3.177 -6.542 12.830 1.00 0.30 O ATOM 0 H TYR A 116 -5.885 -1.476 7.135 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.923 -3.448 7.177 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.097 -1.879 8.980 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.773 -2.290 9.284 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.306 -3.639 9.484 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.335 -4.046 10.801 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.595 -5.308 11.139 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.629 -5.716 12.454 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.958 -6.850 13.335 1.00 0.30 H new ATOM 452 N ASP A 117 -6.968 -4.560 7.806 1.00 0.10 N ATOM 453 CA ASP A 117 -7.770 -5.764 7.979 1.00 0.12 C ATOM 454 C ASP A 117 -7.591 -6.708 6.800 1.00 0.12 C ATOM 455 O ASP A 117 -7.509 -7.923 6.967 1.00 0.15 O ATOM 456 CB ASP A 117 -9.247 -5.387 8.107 1.00 0.16 C ATOM 457 CG ASP A 117 -10.135 -6.581 8.387 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.084 -7.119 9.511 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.908 -6.973 7.489 1.00 0.40 O ATOM 0 H ASP A 117 -7.503 -3.692 7.837 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.437 -6.270 8.885 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.363 -4.658 8.909 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.575 -4.904 7.187 1.00 0.16 H new ATOM 464 N THR A 118 -7.515 -6.137 5.612 1.00 0.11 N ATOM 465 CA THR A 118 -7.368 -6.921 4.405 1.00 0.11 C ATOM 466 C THR A 118 -5.920 -7.404 4.198 1.00 0.10 C ATOM 467 O THR A 118 -5.671 -8.600 4.037 1.00 0.12 O ATOM 468 CB THR A 118 -7.829 -6.094 3.193 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.096 -5.483 3.486 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.959 -6.969 1.957 1.00 0.17 C ATOM 0 H THR A 118 -7.553 -5.129 5.460 1.00 0.11 H new ATOM 0 HA THR A 118 -7.992 -7.809 4.507 1.00 0.11 H new ATOM 0 HB THR A 118 -7.083 -5.325 2.993 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.956 -4.692 4.047 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.286 -6.361 1.114 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.993 -7.419 1.727 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.691 -7.755 2.143 1.00 0.17 H new ATOM 478 N PHE A 119 -4.972 -6.469 4.222 1.00 0.08 N ATOM 479 CA PHE A 119 -3.570 -6.774 3.916 1.00 0.08 C ATOM 480 C PHE A 119 -2.876 -7.570 5.033 1.00 0.08 C ATOM 481 O PHE A 119 -1.947 -8.326 4.770 1.00 0.09 O ATOM 482 CB PHE A 119 -2.794 -5.498 3.563 1.00 0.08 C ATOM 483 CG PHE A 119 -3.227 -4.866 2.255 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.516 -4.366 2.082 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.344 -4.784 1.189 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.901 -3.806 0.883 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.729 -4.224 -0.012 1.00 0.10 C ATOM 488 CZ PHE A 119 -4.035 -3.674 -0.127 1.00 0.09 C ATOM 0 H PHE A 119 -5.147 -5.490 4.450 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.572 -7.422 3.040 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.920 -4.772 4.367 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.731 -5.733 3.509 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.222 -4.418 2.898 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.339 -5.164 1.300 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.919 -3.468 0.757 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -2.049 -4.204 -0.851 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.326 -3.152 -1.026 1.00 0.09 H new ATOM 498 N SER A 120 -3.327 -7.397 6.276 1.00 0.09 N ATOM 499 CA SER A 120 -2.710 -8.060 7.434 1.00 0.09 C ATOM 500 C SER A 120 -2.699 -9.581 7.267 1.00 0.08 C ATOM 501 O SER A 120 -1.841 -10.270 7.823 1.00 0.09 O ATOM 502 CB SER A 120 -3.419 -7.665 8.739 1.00 0.13 C ATOM 503 OG SER A 120 -2.960 -8.431 9.838 1.00 0.19 O ATOM 0 H SER A 120 -4.121 -6.801 6.511 1.00 0.09 H new ATOM 0 HA SER A 120 -1.675 -7.721 7.490 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.251 -6.607 8.938 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.494 -7.801 8.624 1.00 0.13 H new ATOM 0 HG SER A 120 -3.001 -7.890 10.654 1.00 0.19 H new ATOM 509 N ALA A 121 -3.667 -10.104 6.525 1.00 0.09 N ATOM 510 CA ALA A 121 -3.734 -11.534 6.242 1.00 0.11 C ATOM 511 C ALA A 121 -2.456 -12.039 5.561 1.00 0.11 C ATOM 512 O ALA A 121 -2.142 -13.227 5.617 1.00 0.13 O ATOM 513 CB ALA A 121 -4.942 -11.835 5.368 1.00 0.14 C ATOM 0 H ALA A 121 -4.420 -9.558 6.106 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.832 -12.056 7.194 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -4.984 -12.904 5.162 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.851 -11.529 5.886 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.857 -11.287 4.429 1.00 0.14 H new ATOM 519 N PHE A 122 -1.720 -11.132 4.924 1.00 0.08 N ATOM 520 CA PHE A 122 -0.510 -11.495 4.189 1.00 0.09 C ATOM 521 C PHE A 122 0.721 -11.424 5.088 1.00 0.10 C ATOM 522 O PHE A 122 1.767 -12.001 4.779 1.00 0.18 O ATOM 523 CB PHE A 122 -0.337 -10.566 2.986 1.00 0.09 C ATOM 524 CG PHE A 122 -1.576 -10.463 2.150 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.165 -11.599 1.628 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.161 -9.233 1.902 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.314 -11.512 0.874 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.311 -9.139 1.147 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.889 -10.281 0.633 1.00 0.13 C ATOM 0 H PHE A 122 -1.941 -10.136 4.902 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.615 -12.523 3.841 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.057 -9.573 3.337 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.484 -10.929 2.368 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.719 -12.565 1.813 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.712 -8.337 2.304 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.765 -12.407 0.471 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.758 -8.174 0.959 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.791 -10.212 0.043 1.00 0.13 H new ATOM 539 N GLY A 123 0.585 -10.719 6.200 1.00 0.09 N ATOM 540 CA GLY A 123 1.687 -10.557 7.122 1.00 0.10 C ATOM 541 C GLY A 123 1.425 -9.447 8.114 1.00 0.09 C ATOM 542 O GLY A 123 0.493 -8.663 7.936 1.00 0.11 O ATOM 0 H GLY A 123 -0.277 -10.253 6.481 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.855 -11.492 7.657 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.599 -10.340 6.565 1.00 0.10 H new ATOM 546 N ASN A 124 2.233 -9.383 9.162 1.00 0.13 N ATOM 547 CA ASN A 124 2.076 -8.350 10.177 1.00 0.14 C ATOM 548 C ASN A 124 2.412 -6.985 9.596 1.00 0.11 C ATOM 549 O ASN A 124 3.445 -6.808 8.959 1.00 0.14 O ATOM 550 CB ASN A 124 2.963 -8.639 11.392 1.00 0.18 C ATOM 551 CG ASN A 124 2.766 -7.632 12.513 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.679 -7.077 12.688 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.813 -7.393 13.289 1.00 0.25 N ATOM 0 H ASN A 124 3.002 -10.031 9.332 1.00 0.13 H new ATOM 0 HA ASN A 124 1.036 -8.350 10.504 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.746 -9.640 11.766 1.00 0.18 H new ATOM 0 HB3 ASN A 124 4.008 -8.634 11.083 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.735 -6.731 14.061 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.697 -7.871 13.114 1.00 0.25 H new ATOM 560 N ILE A 125 1.524 -6.035 9.797 1.00 0.11 N ATOM 561 CA ILE A 125 1.720 -4.687 9.297 1.00 0.10 C ATOM 562 C ILE A 125 2.209 -3.775 10.415 1.00 0.11 C ATOM 563 O ILE A 125 1.646 -3.775 11.509 1.00 0.14 O ATOM 564 CB ILE A 125 0.408 -4.127 8.710 1.00 0.11 C ATOM 565 CG1 ILE A 125 -0.067 -4.999 7.544 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.587 -2.685 8.263 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.380 -4.546 6.941 1.00 0.11 C ATOM 0 H ILE A 125 0.651 -6.171 10.307 1.00 0.11 H new ATOM 0 HA ILE A 125 2.471 -4.724 8.508 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.353 -4.146 9.490 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.698 -5.000 6.768 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.172 -6.027 7.890 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.351 -2.312 7.853 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.878 -2.073 9.117 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.363 -2.635 7.499 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.653 -5.211 6.121 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.159 -4.572 7.703 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.275 -3.529 6.564 1.00 0.11 H new ATOM 579 N LEU A 126 3.256 -3.002 10.148 1.00 0.13 N ATOM 580 CA LEU A 126 3.789 -2.100 11.158 1.00 0.15 C ATOM 581 C LEU A 126 3.022 -0.789 11.087 1.00 0.16 C ATOM 582 O LEU A 126 2.595 -0.235 12.102 1.00 0.24 O ATOM 583 CB LEU A 126 5.293 -1.813 10.962 1.00 0.19 C ATOM 584 CG LEU A 126 6.242 -3.013 10.757 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.668 -4.313 11.297 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.615 -3.144 9.292 1.00 0.54 C ATOM 0 H LEU A 126 3.746 -2.982 9.253 1.00 0.13 H new ATOM 0 HA LEU A 126 3.673 -2.580 12.130 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.397 -1.155 10.100 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.642 -1.257 11.832 1.00 0.19 H new ATOM 0 HG LEU A 126 7.145 -2.815 11.334 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.377 -5.123 11.126 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.483 -4.213 12.366 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.731 -4.537 10.786 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.285 -3.994 9.162 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.713 -3.298 8.699 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.115 -2.234 8.961 1.00 0.54 H new ATOM 598 N SER A 127 2.826 -0.322 9.861 1.00 0.14 N ATOM 599 CA SER A 127 2.167 0.945 9.609 1.00 0.17 C ATOM 600 C SER A 127 1.377 0.888 8.302 1.00 0.19 C ATOM 601 O SER A 127 1.958 0.774 7.223 1.00 0.37 O ATOM 602 CB SER A 127 3.213 2.063 9.535 1.00 0.19 C ATOM 603 OG SER A 127 3.931 2.179 10.753 1.00 0.76 O ATOM 0 H SER A 127 3.120 -0.813 9.017 1.00 0.14 H new ATOM 0 HA SER A 127 1.474 1.148 10.425 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.907 1.861 8.719 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.722 3.009 9.309 1.00 0.19 H new ATOM 0 HG SER A 127 4.592 2.898 10.676 1.00 0.76 H new ATOM 609 N CYS A 128 0.060 0.928 8.400 1.00 0.18 N ATOM 610 CA CYS A 128 -0.785 1.024 7.220 1.00 0.17 C ATOM 611 C CYS A 128 -1.374 2.422 7.138 1.00 0.16 C ATOM 612 O CYS A 128 -1.658 3.041 8.166 1.00 0.28 O ATOM 613 CB CYS A 128 -1.897 -0.022 7.261 1.00 0.21 C ATOM 614 SG CYS A 128 -2.788 -0.083 8.834 1.00 0.72 S ATOM 0 H CYS A 128 -0.449 0.896 9.284 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.180 0.833 6.334 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.607 0.185 6.460 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.467 -1.003 7.060 1.00 0.21 H new ATOM 0 HG CYS A 128 -4.068 -0.068 8.608 1.00 0.72 H new ATOM 620 N LYS A 129 -1.540 2.932 5.933 1.00 0.13 N ATOM 621 CA LYS A 129 -2.024 4.287 5.771 1.00 0.14 C ATOM 622 C LYS A 129 -2.922 4.428 4.549 1.00 0.12 C ATOM 623 O LYS A 129 -2.566 4.012 3.451 1.00 0.12 O ATOM 624 CB LYS A 129 -0.837 5.251 5.664 1.00 0.18 C ATOM 625 CG LYS A 129 -1.223 6.720 5.547 1.00 0.23 C ATOM 626 CD LYS A 129 -1.900 7.227 6.810 1.00 0.36 C ATOM 627 CE LYS A 129 -2.097 8.736 6.779 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.796 9.214 7.999 1.00 1.00 N ATOM 0 H LYS A 129 -1.349 2.435 5.063 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.623 4.534 6.648 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.202 5.124 6.541 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.239 4.976 4.795 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.332 7.315 5.348 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.892 6.854 4.697 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.866 6.737 6.926 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.299 6.957 7.678 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.129 9.230 6.695 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.673 9.012 5.896 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.916 10.246 7.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.729 8.760 8.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -2.233 8.971 8.839 1.00 1.00 H new ATOM 642 N VAL A 130 -4.088 5.003 4.769 1.00 0.15 N ATOM 643 CA VAL A 130 -4.966 5.431 3.704 1.00 0.17 C ATOM 644 C VAL A 130 -5.049 6.932 3.791 1.00 0.20 C ATOM 645 O VAL A 130 -5.590 7.477 4.752 1.00 0.24 O ATOM 646 CB VAL A 130 -6.397 4.858 3.804 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.223 5.312 2.605 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.386 3.342 3.898 1.00 0.21 C ATOM 0 H VAL A 130 -4.454 5.187 5.703 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.556 5.069 2.761 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.851 5.240 4.718 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.231 4.904 2.682 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.272 6.401 2.588 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.757 4.956 1.686 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.410 2.974 3.967 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.910 2.926 3.010 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.830 3.036 4.785 1.00 0.21 H new ATOM 658 N VAL A 131 -4.476 7.594 2.826 1.00 0.21 N ATOM 659 CA VAL A 131 -4.397 9.033 2.859 1.00 0.27 C ATOM 660 C VAL A 131 -5.730 9.611 2.419 1.00 0.33 C ATOM 661 O VAL A 131 -6.209 9.335 1.316 1.00 0.33 O ATOM 662 CB VAL A 131 -3.236 9.502 1.975 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.881 10.951 2.261 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.042 8.591 2.212 1.00 0.25 C ATOM 0 H VAL A 131 -4.055 7.162 2.004 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.198 9.387 3.870 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.533 9.447 0.928 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.054 11.257 1.620 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.747 11.583 2.064 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.587 11.054 3.306 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.208 8.914 1.588 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.750 8.639 3.261 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.310 7.566 1.957 1.00 0.25 H new ATOM 766 N GLY A 139 -7.236 8.292 -2.745 1.00 0.27 N ATOM 767 CA GLY A 139 -7.187 7.254 -3.751 1.00 0.26 C ATOM 768 C GLY A 139 -6.046 6.286 -3.551 1.00 0.21 C ATOM 769 O GLY A 139 -6.056 5.191 -4.101 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.128 6.704 -3.742 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.096 7.714 -4.735 1.00 0.26 H new ATOM 773 N TYR A 140 -5.064 6.673 -2.762 1.00 0.19 N ATOM 774 CA TYR A 140 -3.873 5.858 -2.601 1.00 0.15 C ATOM 775 C TYR A 140 -3.573 5.586 -1.134 1.00 0.13 C ATOM 776 O TYR A 140 -3.905 6.385 -0.255 1.00 0.16 O ATOM 777 CB TYR A 140 -2.675 6.524 -3.285 1.00 0.19 C ATOM 778 CG TYR A 140 -2.467 7.973 -2.904 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.155 8.990 -3.555 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.591 8.320 -1.884 1.00 0.31 C ATOM 781 CE1 TYR A 140 -2.971 10.312 -3.201 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.406 9.639 -1.524 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.075 10.639 -2.228 1.00 0.41 C ATOM 784 OH TYR A 140 -1.912 11.946 -1.829 1.00 0.49 O ATOM 0 H TYR A 140 -5.065 7.540 -2.225 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.060 4.897 -3.079 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.773 5.963 -3.040 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.806 6.460 -4.365 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -3.844 8.743 -4.349 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.046 7.546 -1.365 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.538 11.087 -3.696 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.750 9.894 -0.705 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.232 11.991 -1.125 1.00 0.49 H new ATOM 794 N GLY A 141 -2.953 4.444 -0.886 1.00 0.11 N ATOM 795 CA GLY A 141 -2.590 4.054 0.458 1.00 0.11 C ATOM 796 C GLY A 141 -1.259 3.335 0.479 1.00 0.10 C ATOM 797 O GLY A 141 -0.724 3.001 -0.576 1.00 0.12 O ATOM 0 H GLY A 141 -2.691 3.770 -1.606 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.539 4.937 1.094 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.363 3.406 0.873 1.00 0.11 H new ATOM 801 N PHE A 142 -0.721 3.094 1.665 1.00 0.10 N ATOM 802 CA PHE A 142 0.592 2.473 1.795 1.00 0.10 C ATOM 803 C PHE A 142 0.590 1.425 2.907 1.00 0.10 C ATOM 804 O PHE A 142 -0.014 1.635 3.962 1.00 0.14 O ATOM 805 CB PHE A 142 1.656 3.536 2.101 1.00 0.12 C ATOM 806 CG PHE A 142 1.623 4.727 1.180 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.018 4.613 -0.148 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.192 5.961 1.640 1.00 0.21 C ATOM 809 CE1 PHE A 142 1.981 5.707 -0.990 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.155 7.057 0.799 1.00 0.25 C ATOM 811 CZ PHE A 142 1.574 6.924 -0.525 1.00 0.22 C ATOM 0 H PHE A 142 -1.172 3.318 2.552 1.00 0.10 H new ATOM 0 HA PHE A 142 0.827 1.985 0.849 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.524 3.881 3.127 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.642 3.074 2.044 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.357 3.659 -0.525 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.881 6.068 2.669 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.276 5.599 -2.023 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.804 8.011 1.165 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.576 7.782 -1.181 1.00 0.22 H new ATOM 821 N VAL A 143 1.242 0.291 2.664 1.00 0.08 N ATOM 822 CA VAL A 143 1.417 -0.723 3.702 1.00 0.08 C ATOM 823 C VAL A 143 2.880 -0.863 4.077 1.00 0.08 C ATOM 824 O VAL A 143 3.757 -0.882 3.212 1.00 0.09 O ATOM 825 CB VAL A 143 0.909 -2.118 3.271 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.013 -3.127 4.420 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.515 -2.033 2.773 1.00 0.10 C ATOM 0 H VAL A 143 1.656 0.051 1.763 1.00 0.08 H new ATOM 0 HA VAL A 143 0.826 -0.379 4.551 1.00 0.08 H new ATOM 0 HB VAL A 143 1.545 -2.468 2.457 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.648 -4.098 4.086 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.054 -3.218 4.731 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.411 -2.784 5.261 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.856 -3.024 2.474 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.157 -1.653 3.568 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.561 -1.360 1.917 1.00 0.10 H new ATOM 837 N HIS A 144 3.135 -0.930 5.367 1.00 0.09 N ATOM 838 CA HIS A 144 4.428 -1.341 5.866 1.00 0.10 C ATOM 839 C HIS A 144 4.325 -2.754 6.405 1.00 0.10 C ATOM 840 O HIS A 144 3.750 -2.968 7.469 1.00 0.11 O ATOM 841 CB HIS A 144 4.893 -0.410 6.978 1.00 0.12 C ATOM 842 CG HIS A 144 5.825 0.649 6.513 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.736 1.265 7.338 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.005 1.179 5.288 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.438 2.131 6.641 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.009 2.108 5.395 1.00 0.21 N ATOM 0 H HIS A 144 2.456 -0.703 6.094 1.00 0.09 H new ATOM 0 HA HIS A 144 5.151 -1.301 5.051 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.022 0.059 7.436 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.383 -0.999 7.753 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.462 0.921 4.391 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.232 2.755 7.024 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.365 2.687 4.634 1.00 0.21 H new ATOM 855 N PHE A 145 4.866 -3.711 5.679 1.00 0.10 N ATOM 856 CA PHE A 145 4.838 -5.088 6.127 1.00 0.10 C ATOM 857 C PHE A 145 6.062 -5.416 6.956 1.00 0.13 C ATOM 858 O PHE A 145 7.171 -4.970 6.662 1.00 0.17 O ATOM 859 CB PHE A 145 4.722 -6.058 4.953 1.00 0.10 C ATOM 860 CG PHE A 145 3.309 -6.318 4.525 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.454 -7.062 5.318 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.832 -5.805 3.330 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.151 -7.291 4.927 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.530 -6.031 2.935 1.00 0.10 C ATOM 865 CZ PHE A 145 0.698 -6.824 3.731 1.00 0.10 C ATOM 0 H PHE A 145 5.328 -3.562 4.782 1.00 0.10 H new ATOM 0 HA PHE A 145 3.953 -5.205 6.752 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.281 -5.659 4.107 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.189 -7.004 5.227 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.810 -7.468 6.253 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.487 -5.221 2.700 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.486 -7.844 5.574 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.156 -5.599 2.018 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.301 -7.065 3.398 1.00 0.10 H new ATOM 875 N GLU A 146 5.824 -6.179 8.006 1.00 0.13 N ATOM 876 CA GLU A 146 6.878 -6.628 8.924 1.00 0.17 C ATOM 877 C GLU A 146 8.039 -7.247 8.158 1.00 0.19 C ATOM 878 O GLU A 146 9.212 -7.075 8.509 1.00 0.22 O ATOM 879 CB GLU A 146 6.309 -7.653 9.909 1.00 0.22 C ATOM 880 CG GLU A 146 7.304 -8.127 10.956 1.00 0.30 C ATOM 881 CD GLU A 146 6.673 -9.049 11.975 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.558 -10.263 11.702 1.00 0.57 O ATOM 883 OE2 GLU A 146 6.291 -8.561 13.060 1.00 0.38 O ATOM 0 H GLU A 146 4.893 -6.512 8.256 1.00 0.13 H new ATOM 0 HA GLU A 146 7.246 -5.760 9.471 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.447 -7.216 10.414 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.947 -8.516 9.350 1.00 0.22 H new ATOM 0 HG2 GLU A 146 8.127 -8.644 10.463 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.730 -7.263 11.466 1.00 0.30 H new ATOM 890 N THR A 147 7.695 -7.963 7.109 1.00 0.22 N ATOM 891 CA THR A 147 8.680 -8.612 6.265 1.00 0.26 C ATOM 892 C THR A 147 8.551 -8.129 4.825 1.00 0.23 C ATOM 893 O THR A 147 7.486 -7.672 4.404 1.00 0.21 O ATOM 894 CB THR A 147 8.534 -10.146 6.299 1.00 0.33 C ATOM 895 OG1 THR A 147 7.250 -10.528 5.795 1.00 0.40 O ATOM 896 CG2 THR A 147 8.701 -10.680 7.712 1.00 0.35 C ATOM 0 H THR A 147 6.729 -8.112 6.817 1.00 0.22 H new ATOM 0 HA THR A 147 9.663 -8.348 6.655 1.00 0.26 H new ATOM 0 HB THR A 147 9.317 -10.572 5.671 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.166 -11.504 5.819 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.593 -11.765 7.706 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.690 -10.416 8.086 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.940 -10.243 8.358 1.00 0.35 H new ATOM 904 N GLN A 148 9.638 -8.233 4.076 1.00 0.24 N ATOM 905 CA GLN A 148 9.657 -7.811 2.683 1.00 0.23 C ATOM 906 C GLN A 148 8.783 -8.736 1.832 1.00 0.21 C ATOM 907 O GLN A 148 8.100 -8.286 0.908 1.00 0.21 O ATOM 908 CB GLN A 148 11.104 -7.808 2.167 1.00 0.28 C ATOM 909 CG GLN A 148 11.273 -7.254 0.760 1.00 0.31 C ATOM 910 CD GLN A 148 10.858 -5.803 0.646 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.663 -4.889 0.822 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.594 -5.580 0.349 1.00 0.38 N ATOM 0 H GLN A 148 10.525 -8.609 4.412 1.00 0.24 H new ATOM 0 HA GLN A 148 9.252 -6.802 2.609 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.718 -7.222 2.850 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.486 -8.828 2.190 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.316 -7.353 0.458 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.682 -7.852 0.066 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.957 -6.364 0.210 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.253 -4.623 0.258 1.00 0.38 H new ATOM 921 N GLU A 149 8.792 -10.021 2.175 1.00 0.22 N ATOM 922 CA GLU A 149 8.055 -11.036 1.423 1.00 0.22 C ATOM 923 C GLU A 149 6.540 -10.883 1.585 1.00 0.18 C ATOM 924 O GLU A 149 5.784 -11.143 0.649 1.00 0.17 O ATOM 925 CB GLU A 149 8.502 -12.439 1.834 1.00 0.28 C ATOM 926 CG GLU A 149 8.138 -12.795 3.252 1.00 0.35 C ATOM 927 CD GLU A 149 8.620 -14.169 3.658 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.839 -14.349 3.836 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.776 -15.083 3.788 1.00 0.74 O ATOM 0 H GLU A 149 9.306 -10.388 2.976 1.00 0.22 H new ATOM 0 HA GLU A 149 8.284 -10.889 0.368 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.053 -13.167 1.158 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.583 -12.517 1.714 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.563 -12.053 3.928 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.055 -12.747 3.366 1.00 0.35 H new ATOM 936 N ALA A 150 6.096 -10.465 2.768 1.00 0.17 N ATOM 937 CA ALA A 150 4.672 -10.257 3.015 1.00 0.15 C ATOM 938 C ALA A 150 4.119 -9.195 2.076 1.00 0.13 C ATOM 939 O ALA A 150 2.991 -9.299 1.589 1.00 0.13 O ATOM 940 CB ALA A 150 4.435 -9.859 4.461 1.00 0.18 C ATOM 0 H ALA A 150 6.698 -10.265 3.566 1.00 0.17 H new ATOM 0 HA ALA A 150 4.149 -11.194 2.825 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.368 -9.708 4.627 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.796 -10.649 5.120 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.970 -8.934 4.676 1.00 0.18 H new ATOM 946 N ALA A 151 4.936 -8.185 1.810 1.00 0.13 N ATOM 947 CA ALA A 151 4.571 -7.122 0.887 1.00 0.13 C ATOM 948 C ALA A 151 4.420 -7.671 -0.521 1.00 0.12 C ATOM 949 O ALA A 151 3.498 -7.304 -1.249 1.00 0.13 O ATOM 950 CB ALA A 151 5.621 -6.031 0.918 1.00 0.16 C ATOM 0 H ALA A 151 5.862 -8.080 2.224 1.00 0.13 H new ATOM 0 HA ALA A 151 3.614 -6.701 1.195 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.342 -5.238 0.225 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.692 -5.623 1.926 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.586 -6.446 0.625 1.00 0.16 H new ATOM 956 N GLU A 152 5.328 -8.562 -0.889 1.00 0.13 N ATOM 957 CA GLU A 152 5.290 -9.208 -2.191 1.00 0.14 C ATOM 958 C GLU A 152 3.988 -9.984 -2.374 1.00 0.12 C ATOM 959 O GLU A 152 3.424 -10.012 -3.468 1.00 0.15 O ATOM 960 CB GLU A 152 6.492 -10.138 -2.344 1.00 0.18 C ATOM 961 CG GLU A 152 7.825 -9.414 -2.241 1.00 0.26 C ATOM 962 CD GLU A 152 9.011 -10.345 -2.372 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.053 -11.136 -3.340 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.902 -10.302 -1.503 1.00 1.42 O ATOM 0 H GLU A 152 6.106 -8.856 -0.298 1.00 0.13 H new ATOM 0 HA GLU A 152 5.335 -8.439 -2.963 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.445 -10.911 -1.577 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.433 -10.642 -3.309 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.880 -8.652 -3.018 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.879 -8.897 -1.283 1.00 0.26 H new ATOM 971 N ARG A 153 3.514 -10.606 -1.296 1.00 0.10 N ATOM 972 CA ARG A 153 2.244 -11.324 -1.316 1.00 0.12 C ATOM 973 C ARG A 153 1.083 -10.366 -1.538 1.00 0.11 C ATOM 974 O ARG A 153 0.174 -10.646 -2.317 1.00 0.16 O ATOM 975 CB ARG A 153 2.016 -12.078 -0.009 1.00 0.16 C ATOM 976 CG ARG A 153 3.054 -13.142 0.283 1.00 0.21 C ATOM 977 CD ARG A 153 2.777 -13.826 1.610 1.00 0.26 C ATOM 978 NE ARG A 153 3.774 -14.846 1.913 1.00 0.38 N ATOM 979 CZ ARG A 153 3.960 -15.369 3.123 1.00 0.80 C ATOM 980 NH1 ARG A 153 3.202 -14.980 4.143 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.896 -16.292 3.305 1.00 0.84 N ATOM 0 H ARG A 153 3.993 -10.626 -0.396 1.00 0.10 H new ATOM 0 HA ARG A 153 2.292 -12.037 -2.139 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.004 -11.362 0.813 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.032 -12.545 -0.039 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.056 -13.882 -0.518 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.046 -12.691 0.303 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.765 -13.082 2.407 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.787 -14.282 1.584 1.00 0.26 H new ATOM 0 HE ARG A 153 4.365 -15.179 1.151 1.00 0.38 H new ATOM 0 HH11 ARG A 153 2.475 -14.279 4.000 1.00 1.48 H new ATOM 0 HH12 ARG A 153 3.347 -15.383 5.069 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.470 -16.598 2.519 1.00 0.84 H new ATOM 0 HH22 ARG A 153 5.042 -16.695 4.231 1.00 0.84 H new ATOM 995 N ALA A 154 1.113 -9.238 -0.842 1.00 0.09 N ATOM 996 CA ALA A 154 0.065 -8.238 -0.974 1.00 0.09 C ATOM 997 C ALA A 154 0.007 -7.710 -2.402 1.00 0.09 C ATOM 998 O ALA A 154 -1.072 -7.465 -2.937 1.00 0.10 O ATOM 999 CB ALA A 154 0.281 -7.099 0.010 1.00 0.10 C ATOM 0 H ALA A 154 1.851 -8.994 -0.181 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.890 -8.711 -0.743 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.514 -6.362 -0.106 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.268 -7.490 1.027 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.244 -6.627 -0.185 1.00 0.10 H new ATOM 1005 N ILE A 155 1.172 -7.559 -3.019 1.00 0.09 N ATOM 1006 CA ILE A 155 1.255 -7.105 -4.400 1.00 0.10 C ATOM 1007 C ILE A 155 0.536 -8.068 -5.345 1.00 0.11 C ATOM 1008 O ILE A 155 -0.332 -7.658 -6.110 1.00 0.14 O ATOM 1009 CB ILE A 155 2.723 -6.937 -4.852 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.406 -5.841 -4.031 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.791 -6.613 -6.338 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.888 -5.709 -4.304 1.00 0.15 C ATOM 0 H ILE A 155 2.075 -7.745 -2.583 1.00 0.09 H new ATOM 0 HA ILE A 155 0.762 -6.134 -4.444 1.00 0.10 H new ATOM 0 HB ILE A 155 3.249 -7.877 -4.684 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.921 -4.888 -4.240 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.258 -6.048 -2.971 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.833 -6.498 -6.638 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.336 -7.423 -6.908 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.253 -5.685 -6.533 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.302 -4.913 -3.686 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.387 -6.649 -4.067 1.00 0.15 H new ATOM 0 HD13 ILE A 155 5.044 -5.470 -5.356 1.00 0.15 H new ATOM 1024 N GLU A 156 0.884 -9.349 -5.287 1.00 0.11 N ATOM 1025 CA GLU A 156 0.257 -10.341 -6.157 1.00 0.13 C ATOM 1026 C GLU A 156 -1.227 -10.489 -5.870 1.00 0.12 C ATOM 1027 O GLU A 156 -2.051 -10.560 -6.786 1.00 0.15 O ATOM 1028 CB GLU A 156 0.923 -11.721 -6.052 1.00 0.17 C ATOM 1029 CG GLU A 156 1.463 -12.082 -4.677 1.00 0.21 C ATOM 1030 CD GLU A 156 1.875 -13.534 -4.582 1.00 0.62 C ATOM 1031 OE1 GLU A 156 0.990 -14.397 -4.391 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.084 -13.825 -4.695 1.00 0.63 O ATOM 0 H GLU A 156 1.590 -9.724 -4.653 1.00 0.11 H new ATOM 0 HA GLU A 156 0.393 -9.964 -7.171 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.198 -12.479 -6.349 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.743 -11.765 -6.769 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.320 -11.448 -4.448 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.702 -11.873 -3.925 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.560 -10.530 -4.599 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.896 -10.881 -4.176 1.00 0.10 C ATOM 1041 C LYS A 157 -3.874 -9.708 -4.260 1.00 0.08 C ATOM 1042 O LYS A 157 -5.022 -9.886 -4.663 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.849 -11.424 -2.748 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.726 -12.650 -2.540 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.188 -12.390 -2.902 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.997 -11.796 -1.749 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.129 -12.739 -0.607 1.00 1.16 N ATOM 0 H LYS A 157 -0.917 -10.322 -3.835 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.265 -11.645 -4.860 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.819 -11.676 -2.497 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.163 -10.640 -2.058 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.345 -13.472 -3.146 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.663 -12.966 -1.499 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.230 -11.711 -3.754 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.650 -13.326 -3.217 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.518 -10.879 -1.406 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.989 -11.522 -2.108 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.135 -12.871 -0.381 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.708 -13.655 -0.863 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.636 -12.351 0.222 1.00 1.16 H new ATOM 1061 N MET A 158 -3.429 -8.516 -3.911 1.00 0.07 N ATOM 1062 CA MET A 158 -4.344 -7.383 -3.805 1.00 0.08 C ATOM 1063 C MET A 158 -4.394 -6.551 -5.072 1.00 0.09 C ATOM 1064 O MET A 158 -5.350 -5.807 -5.284 1.00 0.13 O ATOM 1065 CB MET A 158 -3.985 -6.495 -2.618 1.00 0.09 C ATOM 1066 CG MET A 158 -4.200 -7.172 -1.283 1.00 0.10 C ATOM 1067 SD MET A 158 -5.898 -7.745 -1.069 1.00 0.35 S ATOM 1068 CE MET A 158 -6.788 -6.200 -1.235 1.00 0.18 C ATOM 0 H MET A 158 -2.455 -8.303 -3.698 1.00 0.07 H new ATOM 0 HA MET A 158 -5.336 -7.808 -3.650 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.941 -6.192 -2.701 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.585 -5.586 -2.658 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.520 -8.019 -1.194 1.00 0.10 H new ATOM 0 HG3 MET A 158 -3.950 -6.477 -0.482 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.850 -6.371 -1.057 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.409 -5.482 -0.508 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.648 -5.806 -2.242 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.379 -6.660 -5.911 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.374 -5.908 -7.154 1.00 0.10 C ATOM 1080 C ASN A 159 -4.464 -6.443 -8.073 1.00 0.13 C ATOM 1081 O ASN A 159 -4.491 -7.633 -8.388 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.012 -6.006 -7.843 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.913 -5.127 -9.079 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.612 -4.122 -9.193 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -1.025 -5.480 -10.000 1.00 0.38 N ATOM 0 H ASN A 159 -2.561 -7.251 -5.759 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.567 -4.859 -6.931 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.232 -5.722 -7.137 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.826 -7.043 -8.124 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.905 -4.910 -10.837 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.463 -6.321 -9.870 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.361 -5.569 -8.494 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.449 -5.984 -9.352 1.00 0.19 C ATOM 1094 C GLY A 160 -7.637 -6.519 -8.573 1.00 0.22 C ATOM 1095 O GLY A 160 -8.500 -7.193 -9.132 1.00 0.29 O ATOM 0 H GLY A 160 -5.356 -4.577 -8.257 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.770 -5.138 -9.960 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.093 -6.753 -10.037 1.00 0.19 H new ATOM 1099 N MET A 161 -7.682 -6.226 -7.281 1.00 0.22 N ATOM 1100 CA MET A 161 -8.796 -6.645 -6.443 1.00 0.27 C ATOM 1101 C MET A 161 -9.794 -5.517 -6.258 1.00 0.24 C ATOM 1102 O MET A 161 -9.439 -4.348 -6.374 1.00 0.23 O ATOM 1103 CB MET A 161 -8.297 -7.116 -5.086 1.00 0.32 C ATOM 1104 CG MET A 161 -8.045 -8.608 -5.039 1.00 0.68 C ATOM 1105 SD MET A 161 -9.551 -9.556 -5.313 1.00 1.18 S ATOM 1106 CE MET A 161 -8.879 -11.012 -6.105 1.00 1.04 C ATOM 0 H MET A 161 -6.959 -5.699 -6.790 1.00 0.22 H new ATOM 0 HA MET A 161 -9.296 -7.473 -6.946 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.375 -6.589 -4.840 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.029 -6.852 -4.323 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.306 -8.875 -5.795 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.621 -8.874 -4.071 1.00 0.68 H new ATOM 0 HE1 MET A 161 -9.688 -11.704 -6.341 1.00 1.04 H new ATOM 0 HE2 MET A 161 -8.368 -10.724 -7.024 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.171 -11.497 -5.433 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.034 -5.871 -5.956 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.076 -4.886 -5.751 1.00 0.26 C ATOM 1118 C LEU A 162 -12.264 -4.649 -4.279 1.00 0.28 C ATOM 1119 O LEU A 162 -12.845 -5.477 -3.577 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.414 -5.328 -6.347 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.545 -5.209 -7.861 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.971 -5.487 -8.273 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.148 -3.827 -8.324 1.00 0.34 C ATOM 0 H LEU A 162 -11.340 -6.838 -5.848 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.761 -3.973 -6.256 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.587 -6.367 -6.068 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.206 -4.738 -5.887 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.880 -5.938 -8.323 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.060 -5.401 -9.356 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.249 -6.495 -7.965 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.635 -4.766 -7.796 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.249 -3.763 -9.407 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.796 -3.086 -7.855 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.113 -3.633 -8.044 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.759 -3.543 -3.803 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.984 -3.182 -2.435 1.00 0.33 C ATOM 1137 C LEU A 163 -13.236 -2.328 -2.338 1.00 0.45 C ATOM 1138 O LEU A 163 -13.237 -1.165 -2.749 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.769 -2.467 -1.843 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.648 -3.397 -1.380 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.468 -2.599 -0.854 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.168 -4.343 -0.311 1.00 0.34 C ATOM 0 H LEU A 163 -11.194 -2.884 -4.339 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.132 -4.088 -1.848 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.369 -1.780 -2.589 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.096 -1.863 -0.996 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.307 -3.982 -2.234 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.682 -3.282 -0.530 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.085 -1.953 -1.644 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.789 -1.989 -0.010 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.363 -5.003 0.014 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.530 -3.766 0.540 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.984 -4.940 -0.719 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.312 -2.953 -1.859 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.623 -2.311 -1.698 1.00 0.42 C ATOM 1156 C ASN A 164 -16.368 -2.163 -3.022 1.00 0.45 C ATOM 1157 O ASN A 164 -17.600 -2.190 -3.050 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.503 -0.953 -0.994 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.343 -1.081 0.508 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.772 -2.063 1.111 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.744 -0.075 1.126 1.00 1.07 N ATOM 0 H ASN A 164 -14.301 -3.930 -1.568 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.212 -2.976 -1.066 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.648 -0.412 -1.401 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.390 -0.357 -1.211 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.625 -0.097 2.139 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.402 0.722 0.589 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.603 -2.067 -4.099 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.124 -1.831 -5.459 1.00 0.44 C ATOM 1170 C ASP A 165 -15.014 -1.380 -6.412 1.00 0.43 C ATOM 1171 O ASP A 165 -15.135 -1.506 -7.631 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.226 -0.765 -5.453 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.756 -0.447 -6.842 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.403 -1.326 -7.454 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.519 0.673 -7.334 1.00 0.85 O ATOM 0 H ASP A 165 -14.587 -2.150 -4.064 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.535 -2.779 -5.805 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.050 -1.106 -4.826 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.838 0.148 -5.001 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.927 -0.874 -5.850 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.870 -0.255 -6.638 1.00 0.27 C ATOM 1182 C ARG A 166 -11.691 -1.199 -6.797 1.00 0.24 C ATOM 1183 O ARG A 166 -11.203 -1.766 -5.818 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.391 1.045 -5.987 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.460 2.118 -5.872 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.868 3.425 -5.367 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.889 4.452 -5.151 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.625 5.745 -4.943 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.367 6.169 -4.856 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.624 6.605 -4.790 1.00 0.70 N ATOM 0 H ARG A 166 -13.752 -0.880 -4.845 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.285 -0.030 -7.621 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.010 0.820 -4.991 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.556 1.441 -6.565 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.926 2.277 -6.844 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.244 1.784 -5.193 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.336 3.243 -4.433 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.135 3.791 -6.086 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.867 4.161 -5.160 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.598 5.506 -4.948 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.172 7.157 -4.697 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.589 6.278 -4.831 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.427 7.593 -4.631 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.244 -1.362 -8.030 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.116 -2.227 -8.329 1.00 0.20 C ATOM 1206 C LYS A 167 -8.825 -1.508 -7.986 1.00 0.17 C ATOM 1207 O LYS A 167 -8.479 -0.509 -8.615 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.138 -2.621 -9.811 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.753 -4.067 -10.067 1.00 0.40 C ATOM 1210 CD LYS A 167 -10.165 -4.507 -11.462 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.255 -6.020 -11.558 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.661 -6.471 -12.913 1.00 1.00 N ATOM 0 H LYS A 167 -11.649 -0.903 -8.846 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.183 -3.136 -7.731 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.137 -2.445 -10.209 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.457 -1.971 -10.360 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.676 -4.186 -9.949 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.228 -4.709 -9.325 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -11.129 -4.066 -11.715 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.444 -4.136 -12.191 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.289 -6.457 -11.305 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.972 -6.387 -10.824 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.710 -7.510 -12.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.595 -6.076 -13.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.963 -6.144 -13.611 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.103 -2.026 -7.008 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.942 -1.327 -6.486 1.00 0.12 C ATOM 1228 C VAL A 168 -5.659 -1.892 -7.051 1.00 0.11 C ATOM 1229 O VAL A 168 -5.564 -3.077 -7.380 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.863 -1.376 -4.942 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.932 -0.500 -4.313 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.975 -2.808 -4.432 1.00 0.13 C ATOM 0 H VAL A 168 -8.298 -2.922 -6.562 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.060 -0.289 -6.796 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.888 -0.987 -4.649 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.853 -0.553 -3.227 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.794 0.532 -4.637 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.917 -0.849 -4.623 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.916 -2.812 -3.344 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.929 -3.232 -4.746 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.160 -3.405 -4.842 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.678 -1.024 -7.169 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.386 -1.389 -7.695 1.00 0.12 C ATOM 1244 C PHE A 169 -2.375 -1.451 -6.565 1.00 0.10 C ATOM 1245 O PHE A 169 -2.139 -0.456 -5.889 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.952 -0.365 -8.749 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.554 -0.565 -9.254 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.298 -1.469 -10.269 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.501 0.150 -8.716 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.014 -1.655 -10.741 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.787 -0.031 -9.182 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.035 -0.936 -10.185 1.00 0.26 C ATOM 0 H PHE A 169 -4.757 -0.043 -6.901 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.446 -2.371 -8.165 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.642 -0.411 -9.592 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.034 0.635 -8.324 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.112 -2.036 -10.697 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.687 0.858 -7.922 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.173 -2.357 -11.540 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.600 0.540 -8.757 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.044 -1.088 -10.540 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.796 -2.619 -6.352 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.764 -2.774 -5.342 1.00 0.10 C ATOM 1264 C VAL A 170 0.545 -3.143 -6.011 1.00 0.11 C ATOM 1265 O VAL A 170 0.608 -4.091 -6.797 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.106 -3.854 -4.286 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.055 -3.887 -3.185 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.485 -3.634 -3.690 1.00 0.09 C ATOM 0 H VAL A 170 -2.022 -3.472 -6.863 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.686 -1.820 -4.821 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.109 -4.818 -4.795 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.317 -4.653 -2.455 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.919 -4.116 -3.618 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.014 -2.916 -2.692 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.691 -4.410 -2.953 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.521 -2.657 -3.208 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.234 -3.676 -4.481 1.00 0.09 H new ATOM 1278 N GLY A 171 1.576 -2.378 -5.720 1.00 0.12 N ATOM 1279 CA GLY A 171 2.877 -2.651 -6.276 1.00 0.14 C ATOM 1280 C GLY A 171 3.978 -2.202 -5.352 1.00 0.14 C ATOM 1281 O GLY A 171 3.705 -1.739 -4.242 1.00 0.18 O ATOM 0 H GLY A 171 1.535 -1.566 -5.104 1.00 0.12 H new ATOM 0 HA2 GLY A 171 2.975 -3.720 -6.468 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.977 -2.144 -7.236 1.00 0.14 H new ATOM 1285 N ARG A 172 5.218 -2.338 -5.801 1.00 0.18 N ATOM 1286 CA ARG A 172 6.361 -1.897 -5.017 1.00 0.19 C ATOM 1287 C ARG A 172 6.240 -0.406 -4.739 1.00 0.22 C ATOM 1288 O ARG A 172 5.830 0.358 -5.613 1.00 0.36 O ATOM 1289 CB ARG A 172 7.671 -2.185 -5.758 1.00 0.23 C ATOM 1290 CG ARG A 172 7.938 -3.664 -6.007 1.00 0.32 C ATOM 1291 CD ARG A 172 8.399 -4.389 -4.748 1.00 0.39 C ATOM 1292 NE ARG A 172 8.655 -5.805 -5.009 1.00 1.03 N ATOM 1293 CZ ARG A 172 9.540 -6.552 -4.348 1.00 1.26 C ATOM 1294 NH1 ARG A 172 10.265 -6.034 -3.363 1.00 1.34 N ATOM 1295 NH2 ARG A 172 9.703 -7.824 -4.682 1.00 1.93 N ATOM 0 H ARG A 172 5.457 -2.750 -6.703 1.00 0.18 H new ATOM 0 HA ARG A 172 6.373 -2.445 -4.075 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.655 -1.664 -6.715 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.499 -1.770 -5.183 1.00 0.23 H new ATOM 0 HG2 ARG A 172 7.031 -4.136 -6.384 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.697 -3.768 -6.782 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.305 -3.918 -4.367 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.639 -4.292 -3.972 1.00 0.39 H new ATOM 0 HE ARG A 172 8.117 -6.254 -5.751 1.00 1.03 H new ATOM 0 HH11 ARG A 172 10.148 -5.054 -3.104 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.939 -6.616 -2.865 1.00 1.34 H new ATOM 0 HH21 ARG A 172 9.153 -8.227 -5.441 1.00 1.93 H new ATOM 0 HH22 ARG A 172 10.378 -8.401 -4.180 1.00 1.93 H new