USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 Single : A 154 LYS NZ :NH3+ -169:sc=-0.00915 (180deg=-0.139) USER MOD Single : A 163 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.1) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= 0.368 X(o=0.37,f=-0.012) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.313 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ 136:sc= 1.28 (180deg=-0.405!) USER MOD Single : A 183 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.036) USER MOD Single : A 186 MET CE :methyl -146:sc= -2.17 (180deg=-4.31!) USER MOD Single : A 187 MET CE :methyl -163:sc= -0.0879 (180deg=-0.472) USER MOD Single : A 194 CYS SG : rot -34:sc= 0.524 USER MOD Single : A 195 CYS SG : rot 76:sc= 0.0167 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -0.757 K(o=-0.76,f=-5.1!) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 163:sc= -0.0366 (180deg=-0.316) USER MOD Single : A 212 THR OG1 : rot 86:sc= 0.426 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 223 HIS : no HD1:sc=-0.000456 X(o=-0.00046,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 8.479 14.540 -6.000 1.00 14.20 N ATOM 115 CA LYS A 154 8.684 13.110 -6.249 1.00 43.53 C ATOM 116 C LYS A 154 7.358 12.402 -6.595 1.00 31.21 C ATOM 117 O LYS A 154 6.290 12.821 -6.145 1.00 71.42 O ATOM 118 CB LYS A 154 9.326 12.456 -5.013 1.00 22.25 C ATOM 119 CG LYS A 154 10.792 12.835 -4.809 1.00 43.22 C ATOM 120 CD LYS A 154 11.675 12.263 -5.916 1.00 13.50 C ATOM 121 CE LYS A 154 13.132 12.683 -5.765 1.00 52.21 C ATOM 122 NZ LYS A 154 13.306 14.152 -5.925 1.00 72.21 N ATOM 0 HA LYS A 154 9.350 13.005 -7.106 1.00 43.53 H new ATOM 0 HB2 LYS A 154 8.759 12.741 -4.127 1.00 22.25 H new ATOM 0 HB3 LYS A 154 9.249 11.373 -5.105 1.00 22.25 H new ATOM 0 HG2 LYS A 154 10.889 13.920 -4.788 1.00 43.22 H new ATOM 0 HG3 LYS A 154 11.134 12.466 -3.842 1.00 43.22 H new ATOM 0 HD2 LYS A 154 11.609 11.175 -5.905 1.00 13.50 H new ATOM 0 HD3 LYS A 154 11.301 12.595 -6.885 1.00 13.50 H new ATOM 0 HE2 LYS A 154 13.498 12.379 -4.784 1.00 52.21 H new ATOM 0 HE3 LYS A 154 13.738 12.163 -6.506 1.00 52.21 H new ATOM 0 HZ1 LYS A 154 14.319 14.375 -6.002 1.00 72.21 H new ATOM 0 HZ2 LYS A 154 12.816 14.468 -6.786 1.00 72.21 H new ATOM 0 HZ3 LYS A 154 12.905 14.641 -5.099 1.00 72.21 H new ATOM 136 N PRO A 155 7.411 11.316 -7.400 1.00 44.40 N ATOM 137 CA PRO A 155 6.208 10.544 -7.780 1.00 24.54 C ATOM 138 C PRO A 155 5.472 9.967 -6.558 1.00 34.14 C ATOM 139 O PRO A 155 6.098 9.544 -5.586 1.00 62.33 O ATOM 140 CB PRO A 155 6.769 9.415 -8.665 1.00 71.12 C ATOM 141 CG PRO A 155 8.221 9.342 -8.327 1.00 63.03 C ATOM 142 CD PRO A 155 8.634 10.748 -7.998 1.00 72.10 C ATOM 0 HA PRO A 155 5.467 11.165 -8.285 1.00 24.54 H new ATOM 0 HB2 PRO A 155 6.269 8.468 -8.461 1.00 71.12 H new ATOM 0 HB3 PRO A 155 6.621 9.632 -9.723 1.00 71.12 H new ATOM 0 HG2 PRO A 155 8.393 8.676 -7.482 1.00 63.03 H new ATOM 0 HG3 PRO A 155 8.799 8.950 -9.164 1.00 63.03 H new ATOM 0 HD2 PRO A 155 9.473 10.771 -7.302 1.00 72.10 H new ATOM 0 HD3 PRO A 155 8.942 11.298 -8.887 1.00 72.10 H new ATOM 150 N ILE A 156 4.139 9.951 -6.607 1.00 50.52 N ATOM 151 CA ILE A 156 3.335 9.521 -5.458 1.00 42.32 C ATOM 152 C ILE A 156 2.388 8.353 -5.795 1.00 24.44 C ATOM 153 O ILE A 156 2.091 8.079 -6.960 1.00 63.14 O ATOM 154 CB ILE A 156 2.527 10.714 -4.864 1.00 41.35 C ATOM 155 CG1 ILE A 156 1.618 11.382 -5.926 1.00 44.41 C ATOM 156 CG2 ILE A 156 3.474 11.744 -4.244 1.00 13.24 C ATOM 157 CD1 ILE A 156 0.276 10.696 -6.135 1.00 45.11 C ATOM 0 H ILE A 156 3.595 10.229 -7.424 1.00 50.52 H new ATOM 0 HA ILE A 156 4.040 9.159 -4.710 1.00 42.32 H new ATOM 0 HB ILE A 156 1.878 10.315 -4.084 1.00 41.35 H new ATOM 0 HG12 ILE A 156 1.440 12.417 -5.633 1.00 44.41 H new ATOM 0 HG13 ILE A 156 2.150 11.406 -6.877 1.00 44.41 H new ATOM 0 HG21 ILE A 156 2.894 12.571 -3.834 1.00 13.24 H new ATOM 0 HG22 ILE A 156 4.051 11.275 -3.447 1.00 13.24 H new ATOM 0 HG23 ILE A 156 4.153 12.121 -5.009 1.00 13.24 H new ATOM 0 HD11 ILE A 156 -0.292 11.232 -6.895 1.00 45.11 H new ATOM 0 HD12 ILE A 156 0.439 9.669 -6.461 1.00 45.11 H new ATOM 0 HD13 ILE A 156 -0.282 10.695 -5.199 1.00 45.11 H new ATOM 169 N VAL A 157 1.918 7.670 -4.752 1.00 41.41 N ATOM 170 CA VAL A 157 0.989 6.540 -4.890 1.00 11.22 C ATOM 171 C VAL A 157 -0.263 6.749 -4.021 1.00 74.23 C ATOM 172 O VAL A 157 -0.172 7.243 -2.892 1.00 51.32 O ATOM 173 CB VAL A 157 1.669 5.208 -4.487 1.00 32.34 C ATOM 174 CG1 VAL A 157 0.731 4.026 -4.724 1.00 75.41 C ATOM 175 CG2 VAL A 157 2.988 5.020 -5.239 1.00 75.22 C ATOM 0 H VAL A 157 2.168 7.881 -3.786 1.00 41.41 H new ATOM 0 HA VAL A 157 0.695 6.489 -5.938 1.00 11.22 H new ATOM 0 HB VAL A 157 1.893 5.251 -3.421 1.00 32.34 H new ATOM 0 HG11 VAL A 157 1.230 3.101 -4.434 1.00 75.41 H new ATOM 0 HG12 VAL A 157 -0.172 4.153 -4.128 1.00 75.41 H new ATOM 0 HG13 VAL A 157 0.465 3.979 -5.780 1.00 75.41 H new ATOM 0 HG21 VAL A 157 3.447 4.078 -4.939 1.00 75.22 H new ATOM 0 HG22 VAL A 157 2.796 5.005 -6.312 1.00 75.22 H new ATOM 0 HG23 VAL A 157 3.662 5.843 -5.002 1.00 75.22 H new ATOM 185 N ARG A 158 -1.428 6.364 -4.545 1.00 63.13 N ATOM 186 CA ARG A 158 -2.705 6.548 -3.842 1.00 70.55 C ATOM 187 C ARG A 158 -3.075 5.299 -3.031 1.00 44.45 C ATOM 188 O ARG A 158 -3.474 4.284 -3.593 1.00 24.11 O ATOM 189 CB ARG A 158 -3.811 6.863 -4.859 1.00 42.01 C ATOM 190 CG ARG A 158 -3.538 8.113 -5.689 1.00 0.53 C ATOM 191 CD ARG A 158 -4.510 8.242 -6.856 1.00 61.45 C ATOM 192 NE ARG A 158 -4.297 9.472 -7.617 1.00 42.24 N ATOM 193 CZ ARG A 158 -4.670 9.641 -8.859 1.00 65.22 C ATOM 194 NH1 ARG A 158 -5.232 8.676 -9.517 1.00 5.34 N ATOM 195 NH2 ARG A 158 -4.472 10.777 -9.443 1.00 54.45 N ATOM 0 H ARG A 158 -1.516 5.920 -5.459 1.00 63.13 H new ATOM 0 HA ARG A 158 -2.600 7.381 -3.147 1.00 70.55 H new ATOM 0 HB2 ARG A 158 -3.931 6.011 -5.529 1.00 42.01 H new ATOM 0 HB3 ARG A 158 -4.756 6.988 -4.329 1.00 42.01 H new ATOM 0 HG2 ARG A 158 -3.614 8.995 -5.053 1.00 0.53 H new ATOM 0 HG3 ARG A 158 -2.517 8.081 -6.069 1.00 0.53 H new ATOM 0 HD2 ARG A 158 -4.397 7.383 -7.518 1.00 61.45 H new ATOM 0 HD3 ARG A 158 -5.533 8.222 -6.479 1.00 61.45 H new ATOM 0 HE ARG A 158 -3.828 10.248 -7.150 1.00 42.24 H new ATOM 0 HH11 ARG A 158 -5.387 7.774 -9.066 1.00 5.34 H new ATOM 0 HH12 ARG A 158 -5.519 8.818 -10.485 1.00 5.34 H new ATOM 0 HH21 ARG A 158 -4.025 11.540 -8.935 1.00 54.45 H new ATOM 0 HH22 ARG A 158 -4.762 10.910 -10.412 1.00 54.45 H new ATOM 209 N VAL A 159 -2.948 5.377 -1.708 1.00 53.34 N ATOM 210 CA VAL A 159 -3.197 4.219 -0.840 1.00 13.54 C ATOM 211 C VAL A 159 -4.488 4.378 -0.018 1.00 73.21 C ATOM 212 O VAL A 159 -4.665 5.360 0.708 1.00 60.11 O ATOM 213 CB VAL A 159 -2.005 3.979 0.123 1.00 41.20 C ATOM 214 CG1 VAL A 159 -2.239 2.744 0.995 1.00 13.40 C ATOM 215 CG2 VAL A 159 -0.695 3.856 -0.659 1.00 52.03 C ATOM 0 H VAL A 159 -2.675 6.225 -1.211 1.00 53.34 H new ATOM 0 HA VAL A 159 -3.313 3.358 -1.499 1.00 13.54 H new ATOM 0 HB VAL A 159 -1.928 4.842 0.784 1.00 41.20 H new ATOM 0 HG11 VAL A 159 -1.387 2.601 1.660 1.00 13.40 H new ATOM 0 HG12 VAL A 159 -3.143 2.883 1.588 1.00 13.40 H new ATOM 0 HG13 VAL A 159 -2.354 1.866 0.359 1.00 13.40 H new ATOM 0 HG21 VAL A 159 0.129 3.688 0.035 1.00 52.03 H new ATOM 0 HG22 VAL A 159 -0.762 3.017 -1.352 1.00 52.03 H new ATOM 0 HG23 VAL A 159 -0.517 4.775 -1.218 1.00 52.03 H new ATOM 225 N PHE A 160 -5.388 3.403 -0.142 1.00 54.21 N ATOM 226 CA PHE A 160 -6.640 3.396 0.622 1.00 14.43 C ATOM 227 C PHE A 160 -6.536 2.463 1.840 1.00 74.05 C ATOM 228 O PHE A 160 -6.412 1.246 1.699 1.00 72.12 O ATOM 229 CB PHE A 160 -7.815 2.962 -0.268 1.00 5.21 C ATOM 230 CG PHE A 160 -7.979 3.795 -1.521 1.00 3.12 C ATOM 231 CD1 PHE A 160 -7.895 5.179 -1.469 1.00 52.12 C ATOM 232 CD2 PHE A 160 -8.217 3.191 -2.747 1.00 34.31 C ATOM 233 CE1 PHE A 160 -8.043 5.942 -2.612 1.00 70.14 C ATOM 234 CE2 PHE A 160 -8.367 3.950 -3.893 1.00 43.14 C ATOM 235 CZ PHE A 160 -8.281 5.327 -3.825 1.00 30.13 C ATOM 0 H PHE A 160 -5.275 2.604 -0.766 1.00 54.21 H new ATOM 0 HA PHE A 160 -6.820 4.411 0.976 1.00 14.43 H new ATOM 0 HB2 PHE A 160 -7.676 1.919 -0.553 1.00 5.21 H new ATOM 0 HB3 PHE A 160 -8.736 3.013 0.313 1.00 5.21 H new ATOM 0 HD1 PHE A 160 -7.712 5.667 -0.523 1.00 52.12 H new ATOM 0 HD2 PHE A 160 -8.286 2.115 -2.807 1.00 34.31 H new ATOM 0 HE1 PHE A 160 -7.973 7.018 -2.556 1.00 70.14 H new ATOM 0 HE2 PHE A 160 -8.551 3.466 -4.841 1.00 43.14 H new ATOM 0 HZ PHE A 160 -8.400 5.921 -4.719 1.00 30.13 H new ATOM 245 N LEU A 161 -6.583 3.051 3.031 1.00 22.14 N ATOM 246 CA LEU A 161 -6.488 2.300 4.287 1.00 0.21 C ATOM 247 C LEU A 161 -7.883 1.879 4.801 1.00 10.24 C ATOM 248 O LEU A 161 -8.904 2.447 4.391 1.00 11.32 O ATOM 249 CB LEU A 161 -5.760 3.161 5.333 1.00 10.55 C ATOM 250 CG LEU A 161 -4.326 3.574 4.957 1.00 65.03 C ATOM 251 CD1 LEU A 161 -3.753 4.538 5.993 1.00 24.03 C ATOM 252 CD2 LEU A 161 -3.429 2.343 4.808 1.00 50.33 C ATOM 0 H LEU A 161 -6.688 4.058 3.157 1.00 22.14 H new ATOM 0 HA LEU A 161 -5.923 1.385 4.108 1.00 0.21 H new ATOM 0 HB2 LEU A 161 -6.346 4.063 5.510 1.00 10.55 H new ATOM 0 HB3 LEU A 161 -5.728 2.612 6.274 1.00 10.55 H new ATOM 0 HG LEU A 161 -4.360 4.088 3.996 1.00 65.03 H new ATOM 0 HD11 LEU A 161 -2.739 4.817 5.708 1.00 24.03 H new ATOM 0 HD12 LEU A 161 -4.375 5.432 6.042 1.00 24.03 H new ATOM 0 HD13 LEU A 161 -3.735 4.054 6.970 1.00 24.03 H new ATOM 0 HD21 LEU A 161 -2.420 2.658 4.542 1.00 50.33 H new ATOM 0 HD22 LEU A 161 -3.402 1.796 5.751 1.00 50.33 H new ATOM 0 HD23 LEU A 161 -3.825 1.697 4.025 1.00 50.33 H new ATOM 264 N PRO A 162 -7.952 0.871 5.702 1.00 35.14 N ATOM 265 CA PRO A 162 -9.234 0.356 6.238 1.00 30.34 C ATOM 266 C PRO A 162 -10.046 1.409 7.020 1.00 13.13 C ATOM 267 O PRO A 162 -9.537 2.477 7.367 1.00 1.15 O ATOM 268 CB PRO A 162 -8.801 -0.791 7.168 1.00 12.35 C ATOM 269 CG PRO A 162 -7.375 -0.506 7.493 1.00 75.03 C ATOM 270 CD PRO A 162 -6.798 0.140 6.266 1.00 63.24 C ATOM 0 HA PRO A 162 -9.901 0.050 5.432 1.00 30.34 H new ATOM 0 HB2 PRO A 162 -9.413 -0.821 8.069 1.00 12.35 H new ATOM 0 HB3 PRO A 162 -8.908 -1.759 6.678 1.00 12.35 H new ATOM 0 HG2 PRO A 162 -7.295 0.154 8.357 1.00 75.03 H new ATOM 0 HG3 PRO A 162 -6.840 -1.422 7.741 1.00 75.03 H new ATOM 0 HD2 PRO A 162 -5.976 0.812 6.512 1.00 63.24 H new ATOM 0 HD3 PRO A 162 -6.407 -0.599 5.567 1.00 63.24 H new ATOM 278 N ASN A 163 -11.318 1.085 7.297 1.00 3.41 N ATOM 279 CA ASN A 163 -12.247 2.003 7.980 1.00 22.02 C ATOM 280 C ASN A 163 -12.461 3.289 7.167 1.00 52.44 C ATOM 281 O ASN A 163 -12.757 4.356 7.717 1.00 14.12 O ATOM 282 CB ASN A 163 -11.757 2.319 9.402 1.00 53.13 C ATOM 283 CG ASN A 163 -11.739 1.081 10.282 1.00 64.44 C ATOM 284 OD1 ASN A 163 -12.496 0.140 10.062 1.00 34.35 O ATOM 285 ND2 ASN A 163 -10.904 1.078 11.297 1.00 25.45 N ATOM 0 H ASN A 163 -11.732 0.184 7.056 1.00 3.41 H new ATOM 0 HA ASN A 163 -13.212 1.503 8.060 1.00 22.02 H new ATOM 0 HB2 ASN A 163 -10.755 2.745 9.355 1.00 53.13 H new ATOM 0 HB3 ASN A 163 -12.404 3.074 9.850 1.00 53.13 H new ATOM 0 HD21 ASN A 163 -10.872 0.278 11.929 1.00 25.45 H new ATOM 0 HD22 ASN A 163 -10.288 1.876 11.453 1.00 25.45 H new ATOM 292 N LYS A 164 -12.349 3.154 5.844 1.00 54.34 N ATOM 293 CA LYS A 164 -12.553 4.266 4.903 1.00 62.12 C ATOM 294 C LYS A 164 -11.558 5.415 5.154 1.00 41.41 C ATOM 295 O LYS A 164 -11.946 6.552 5.441 1.00 12.15 O ATOM 296 CB LYS A 164 -14.009 4.768 4.968 1.00 63.44 C ATOM 297 CG LYS A 164 -15.049 3.647 4.913 1.00 1.41 C ATOM 298 CD LYS A 164 -14.900 2.780 3.665 1.00 25.52 C ATOM 299 CE LYS A 164 -15.758 1.518 3.743 1.00 23.01 C ATOM 300 NZ LYS A 164 -17.211 1.823 3.832 1.00 72.24 N ATOM 0 H LYS A 164 -12.114 2.271 5.391 1.00 54.34 H new ATOM 0 HA LYS A 164 -12.363 3.890 3.898 1.00 62.12 H new ATOM 0 HB2 LYS A 164 -14.148 5.335 5.888 1.00 63.44 H new ATOM 0 HB3 LYS A 164 -14.184 5.455 4.140 1.00 63.44 H new ATOM 0 HG2 LYS A 164 -14.953 3.022 5.801 1.00 1.41 H new ATOM 0 HG3 LYS A 164 -16.049 4.080 4.934 1.00 1.41 H new ATOM 0 HD2 LYS A 164 -15.183 3.358 2.785 1.00 25.52 H new ATOM 0 HD3 LYS A 164 -13.854 2.501 3.540 1.00 25.52 H new ATOM 0 HE2 LYS A 164 -15.573 0.901 2.864 1.00 23.01 H new ATOM 0 HE3 LYS A 164 -15.459 0.932 4.612 1.00 23.01 H new ATOM 0 HZ1 LYS A 164 -17.750 0.935 3.883 1.00 72.24 H new ATOM 0 HZ2 LYS A 164 -17.395 2.389 4.685 1.00 72.24 H new ATOM 0 HZ3 LYS A 164 -17.505 2.359 2.991 1.00 72.24 H new ATOM 314 N GLN A 165 -10.267 5.098 5.059 1.00 44.42 N ATOM 315 CA GLN A 165 -9.192 6.090 5.206 1.00 30.33 C ATOM 316 C GLN A 165 -8.360 6.177 3.914 1.00 21.14 C ATOM 317 O GLN A 165 -8.147 5.174 3.238 1.00 44.20 O ATOM 318 CB GLN A 165 -8.275 5.711 6.382 1.00 34.54 C ATOM 319 CG GLN A 165 -8.970 5.658 7.741 1.00 43.32 C ATOM 320 CD GLN A 165 -9.458 7.017 8.213 1.00 35.51 C ATOM 321 OE1 GLN A 165 -8.730 7.760 8.866 1.00 44.52 O ATOM 322 NE2 GLN A 165 -10.691 7.347 7.897 1.00 0.23 N ATOM 0 H GLN A 165 -9.933 4.151 4.879 1.00 44.42 H new ATOM 0 HA GLN A 165 -9.647 7.061 5.403 1.00 30.33 H new ATOM 0 HB2 GLN A 165 -7.830 4.737 6.179 1.00 34.54 H new ATOM 0 HB3 GLN A 165 -7.458 6.431 6.435 1.00 34.54 H new ATOM 0 HG2 GLN A 165 -9.817 4.974 7.683 1.00 43.32 H new ATOM 0 HG3 GLN A 165 -8.280 5.249 8.480 1.00 43.32 H new ATOM 0 HE21 GLN A 165 -11.267 6.705 7.353 1.00 0.23 H new ATOM 0 HE22 GLN A 165 -11.071 8.245 8.196 1.00 0.23 H new ATOM 331 N ARG A 166 -7.906 7.377 3.557 1.00 3.50 N ATOM 332 CA ARG A 166 -7.058 7.560 2.366 1.00 11.32 C ATOM 333 C ARG A 166 -5.752 8.294 2.706 1.00 73.32 C ATOM 334 O ARG A 166 -5.715 9.150 3.595 1.00 24.02 O ATOM 335 CB ARG A 166 -7.799 8.334 1.258 1.00 71.12 C ATOM 336 CG ARG A 166 -9.008 7.615 0.658 1.00 64.15 C ATOM 337 CD ARG A 166 -10.238 7.680 1.560 1.00 22.32 C ATOM 338 NE ARG A 166 -11.387 7.004 0.962 1.00 63.20 N ATOM 339 CZ ARG A 166 -12.310 7.608 0.263 1.00 63.22 C ATOM 340 NH1 ARG A 166 -12.230 8.878 0.017 1.00 12.22 N ATOM 341 NH2 ARG A 166 -13.306 6.933 -0.211 1.00 4.34 N ATOM 0 H ARG A 166 -8.106 8.237 4.068 1.00 3.50 H new ATOM 0 HA ARG A 166 -6.817 6.561 2.003 1.00 11.32 H new ATOM 0 HB2 ARG A 166 -8.130 9.290 1.664 1.00 71.12 H new ATOM 0 HB3 ARG A 166 -7.093 8.555 0.457 1.00 71.12 H new ATOM 0 HG2 ARG A 166 -9.247 8.059 -0.308 1.00 64.15 H new ATOM 0 HG3 ARG A 166 -8.751 6.572 0.475 1.00 64.15 H new ATOM 0 HD2 ARG A 166 -10.008 7.222 2.522 1.00 22.32 H new ATOM 0 HD3 ARG A 166 -10.491 8.722 1.755 1.00 22.32 H new ATOM 0 HE ARG A 166 -11.474 5.997 1.099 1.00 63.20 H new ATOM 0 HH11 ARG A 166 -11.440 9.417 0.371 1.00 12.22 H new ATOM 0 HH12 ARG A 166 -12.957 9.338 -0.530 1.00 12.22 H new ATOM 0 HH21 ARG A 166 -13.370 5.930 -0.039 1.00 4.34 H new ATOM 0 HH22 ARG A 166 -14.027 7.404 -0.757 1.00 4.34 H new ATOM 355 N THR A 167 -4.683 7.948 1.990 1.00 32.53 N ATOM 356 CA THR A 167 -3.392 8.630 2.134 1.00 62.44 C ATOM 357 C THR A 167 -2.545 8.497 0.862 1.00 24.11 C ATOM 358 O THR A 167 -2.796 7.630 0.022 1.00 55.40 O ATOM 359 CB THR A 167 -2.578 8.098 3.340 1.00 61.41 C ATOM 360 OG1 THR A 167 -1.391 8.891 3.517 1.00 64.31 O ATOM 361 CG2 THR A 167 -2.193 6.631 3.150 1.00 34.24 C ATOM 0 H THR A 167 -4.683 7.196 1.301 1.00 32.53 H new ATOM 0 HA THR A 167 -3.624 9.681 2.309 1.00 62.44 H new ATOM 0 HB THR A 167 -3.206 8.172 4.228 1.00 61.41 H new ATOM 0 HG1 THR A 167 -0.881 8.551 4.282 1.00 64.31 H new ATOM 0 HG21 THR A 167 -1.623 6.290 4.014 1.00 34.24 H new ATOM 0 HG22 THR A 167 -3.095 6.028 3.049 1.00 34.24 H new ATOM 0 HG23 THR A 167 -1.586 6.528 2.251 1.00 34.24 H new ATOM 369 N VAL A 168 -1.544 9.359 0.718 1.00 64.42 N ATOM 370 CA VAL A 168 -0.670 9.343 -0.458 1.00 4.21 C ATOM 371 C VAL A 168 0.812 9.271 -0.049 1.00 34.13 C ATOM 372 O VAL A 168 1.321 10.157 0.642 1.00 12.41 O ATOM 373 CB VAL A 168 -0.902 10.595 -1.344 1.00 34.11 C ATOM 374 CG1 VAL A 168 -0.016 10.554 -2.582 1.00 4.33 C ATOM 375 CG2 VAL A 168 -2.373 10.722 -1.740 1.00 43.44 C ATOM 0 H VAL A 168 -1.314 10.081 1.401 1.00 64.42 H new ATOM 0 HA VAL A 168 -0.921 8.451 -1.033 1.00 4.21 H new ATOM 0 HB VAL A 168 -0.632 11.474 -0.758 1.00 34.11 H new ATOM 0 HG11 VAL A 168 -0.196 11.442 -3.188 1.00 4.33 H new ATOM 0 HG12 VAL A 168 1.031 10.527 -2.280 1.00 4.33 H new ATOM 0 HG13 VAL A 168 -0.248 9.663 -3.166 1.00 4.33 H new ATOM 0 HG21 VAL A 168 -2.508 11.608 -2.361 1.00 43.44 H new ATOM 0 HG22 VAL A 168 -2.677 9.837 -2.300 1.00 43.44 H new ATOM 0 HG23 VAL A 168 -2.985 10.811 -0.842 1.00 43.44 H new ATOM 385 N VAL A 169 1.498 8.215 -0.489 1.00 2.30 N ATOM 386 CA VAL A 169 2.911 7.991 -0.135 1.00 45.32 C ATOM 387 C VAL A 169 3.841 8.158 -1.357 1.00 54.31 C ATOM 388 O VAL A 169 3.415 7.971 -2.495 1.00 4.15 O ATOM 389 CB VAL A 169 3.116 6.577 0.476 1.00 11.44 C ATOM 390 CG1 VAL A 169 2.314 6.420 1.772 1.00 4.41 C ATOM 391 CG2 VAL A 169 2.745 5.489 -0.531 1.00 53.12 C ATOM 0 H VAL A 169 1.101 7.496 -1.094 1.00 2.30 H new ATOM 0 HA VAL A 169 3.172 8.746 0.606 1.00 45.32 H new ATOM 0 HB VAL A 169 4.173 6.465 0.719 1.00 11.44 H new ATOM 0 HG11 VAL A 169 2.474 5.422 2.180 1.00 4.41 H new ATOM 0 HG12 VAL A 169 2.643 7.165 2.496 1.00 4.41 H new ATOM 0 HG13 VAL A 169 1.254 6.561 1.563 1.00 4.41 H new ATOM 0 HG21 VAL A 169 2.897 4.508 -0.080 1.00 53.12 H new ATOM 0 HG22 VAL A 169 1.699 5.599 -0.816 1.00 53.12 H new ATOM 0 HG23 VAL A 169 3.374 5.583 -1.416 1.00 53.12 H new ATOM 401 N PRO A 170 5.125 8.518 -1.139 1.00 4.20 N ATOM 402 CA PRO A 170 6.094 8.700 -2.234 1.00 35.23 C ATOM 403 C PRO A 170 6.633 7.372 -2.807 1.00 44.22 C ATOM 404 O PRO A 170 6.716 6.358 -2.107 1.00 30.05 O ATOM 405 CB PRO A 170 7.216 9.496 -1.562 1.00 21.51 C ATOM 406 CG PRO A 170 7.181 9.055 -0.137 1.00 52.15 C ATOM 407 CD PRO A 170 5.730 8.791 0.183 1.00 55.45 C ATOM 0 HA PRO A 170 5.643 9.193 -3.095 1.00 35.23 H new ATOM 0 HB2 PRO A 170 8.182 9.285 -2.020 1.00 21.51 H new ATOM 0 HB3 PRO A 170 7.049 10.570 -1.650 1.00 21.51 H new ATOM 0 HG2 PRO A 170 7.782 8.157 0.008 1.00 52.15 H new ATOM 0 HG3 PRO A 170 7.591 9.823 0.519 1.00 52.15 H new ATOM 0 HD2 PRO A 170 5.616 7.943 0.858 1.00 55.45 H new ATOM 0 HD3 PRO A 170 5.264 9.649 0.667 1.00 55.45 H new ATOM 415 N ALA A 171 7.007 7.395 -4.085 1.00 10.42 N ATOM 416 CA ALA A 171 7.525 6.207 -4.772 1.00 75.44 C ATOM 417 C ALA A 171 9.052 6.279 -4.972 1.00 41.50 C ATOM 418 O ALA A 171 9.556 7.113 -5.728 1.00 72.15 O ATOM 419 CB ALA A 171 6.819 6.030 -6.115 1.00 2.12 C ATOM 0 H ALA A 171 6.961 8.228 -4.672 1.00 10.42 H new ATOM 0 HA ALA A 171 7.321 5.342 -4.141 1.00 75.44 H new ATOM 0 HB1 ALA A 171 7.210 5.146 -6.618 1.00 2.12 H new ATOM 0 HB2 ALA A 171 5.748 5.910 -5.950 1.00 2.12 H new ATOM 0 HB3 ALA A 171 6.994 6.908 -6.737 1.00 2.12 H new ATOM 425 N ARG A 172 9.784 5.403 -4.283 1.00 24.13 N ATOM 426 CA ARG A 172 11.245 5.313 -4.420 1.00 30.41 C ATOM 427 C ARG A 172 11.683 3.870 -4.750 1.00 5.12 C ATOM 428 O ARG A 172 11.044 2.908 -4.322 1.00 53.51 O ATOM 429 CB ARG A 172 11.931 5.778 -3.124 1.00 12.21 C ATOM 430 CG ARG A 172 11.672 7.241 -2.759 1.00 65.53 C ATOM 431 CD ARG A 172 12.410 7.644 -1.482 1.00 21.01 C ATOM 432 NE ARG A 172 12.308 9.078 -1.203 1.00 73.14 N ATOM 433 CZ ARG A 172 12.864 9.663 -0.175 1.00 61.12 C ATOM 434 NH1 ARG A 172 13.487 8.968 0.723 1.00 12.13 N ATOM 435 NH2 ARG A 172 12.771 10.946 -0.030 1.00 53.24 N ATOM 0 H ARG A 172 9.388 4.739 -3.618 1.00 24.13 H new ATOM 0 HA ARG A 172 11.546 5.963 -5.242 1.00 30.41 H new ATOM 0 HB2 ARG A 172 11.593 5.146 -2.302 1.00 12.21 H new ATOM 0 HB3 ARG A 172 13.006 5.626 -3.222 1.00 12.21 H new ATOM 0 HG2 ARG A 172 11.989 7.883 -3.581 1.00 65.53 H new ATOM 0 HG3 ARG A 172 10.602 7.399 -2.626 1.00 65.53 H new ATOM 0 HD2 ARG A 172 12.004 7.084 -0.640 1.00 21.01 H new ATOM 0 HD3 ARG A 172 13.461 7.369 -1.571 1.00 21.01 H new ATOM 0 HE ARG A 172 11.771 9.655 -1.850 1.00 73.14 H new ATOM 0 HH11 ARG A 172 13.547 7.954 0.632 1.00 12.13 H new ATOM 0 HH12 ARG A 172 13.917 9.435 1.521 1.00 12.13 H new ATOM 0 HH21 ARG A 172 12.263 11.502 -0.718 1.00 53.24 H new ATOM 0 HH22 ARG A 172 13.205 11.401 0.773 1.00 53.24 H new ATOM 449 N CYS A 173 12.772 3.726 -5.508 1.00 52.23 N ATOM 450 CA CYS A 173 13.310 2.398 -5.854 1.00 44.12 C ATOM 451 C CYS A 173 14.099 1.801 -4.676 1.00 22.13 C ATOM 452 O CYS A 173 14.894 2.493 -4.035 1.00 51.34 O ATOM 453 CB CYS A 173 14.215 2.483 -7.090 1.00 74.20 C ATOM 454 SG CYS A 173 14.937 0.899 -7.595 1.00 41.44 S ATOM 0 H CYS A 173 13.301 4.507 -5.896 1.00 52.23 H new ATOM 0 HA CYS A 173 12.465 1.747 -6.077 1.00 44.12 H new ATOM 0 HB2 CYS A 173 13.638 2.888 -7.921 1.00 74.20 H new ATOM 0 HB3 CYS A 173 15.021 3.189 -6.888 1.00 74.20 H new ATOM 0 HG CYS A 173 15.681 1.077 -8.646 1.00 41.44 H new ATOM 460 N GLY A 174 13.879 0.519 -4.392 1.00 52.31 N ATOM 461 CA GLY A 174 14.493 -0.113 -3.226 1.00 15.11 C ATOM 462 C GLY A 174 13.570 -0.108 -2.013 1.00 52.33 C ATOM 463 O GLY A 174 13.624 -1.003 -1.168 1.00 75.13 O ATOM 0 H GLY A 174 13.286 -0.098 -4.947 1.00 52.31 H new ATOM 0 HA2 GLY A 174 14.761 -1.141 -3.471 1.00 15.11 H new ATOM 0 HA3 GLY A 174 15.418 0.408 -2.978 1.00 15.11 H new ATOM 467 N VAL A 175 12.721 0.914 -1.929 1.00 54.20 N ATOM 468 CA VAL A 175 11.713 0.996 -0.876 1.00 1.52 C ATOM 469 C VAL A 175 10.497 0.131 -1.233 1.00 63.23 C ATOM 470 O VAL A 175 9.741 0.444 -2.157 1.00 40.12 O ATOM 471 CB VAL A 175 11.256 2.461 -0.649 1.00 21.25 C ATOM 472 CG1 VAL A 175 10.196 2.548 0.451 1.00 20.55 C ATOM 473 CG2 VAL A 175 12.453 3.350 -0.321 1.00 62.10 C ATOM 0 H VAL A 175 12.712 1.699 -2.580 1.00 54.20 H new ATOM 0 HA VAL A 175 12.165 0.626 0.044 1.00 1.52 H new ATOM 0 HB VAL A 175 10.803 2.819 -1.573 1.00 21.25 H new ATOM 0 HG11 VAL A 175 9.896 3.587 0.586 1.00 20.55 H new ATOM 0 HG12 VAL A 175 9.327 1.954 0.167 1.00 20.55 H new ATOM 0 HG13 VAL A 175 10.608 2.165 1.385 1.00 20.55 H new ATOM 0 HG21 VAL A 175 12.114 4.374 -0.165 1.00 62.10 H new ATOM 0 HG22 VAL A 175 12.939 2.987 0.585 1.00 62.10 H new ATOM 0 HG23 VAL A 175 13.162 3.325 -1.148 1.00 62.10 H new ATOM 483 N THR A 176 10.324 -0.967 -0.508 1.00 40.22 N ATOM 484 CA THR A 176 9.213 -1.891 -0.761 1.00 5.01 C ATOM 485 C THR A 176 7.893 -1.335 -0.222 1.00 31.24 C ATOM 486 O THR A 176 7.886 -0.410 0.589 1.00 21.15 O ATOM 487 CB THR A 176 9.466 -3.271 -0.107 1.00 31.44 C ATOM 488 OG1 THR A 176 9.422 -3.166 1.326 1.00 61.40 O ATOM 489 CG2 THR A 176 10.818 -3.835 -0.531 1.00 31.01 C ATOM 0 H THR A 176 10.935 -1.244 0.260 1.00 40.22 H new ATOM 0 HA THR A 176 9.146 -2.007 -1.843 1.00 5.01 H new ATOM 0 HB THR A 176 8.680 -3.946 -0.444 1.00 31.44 H new ATOM 0 HG1 THR A 176 9.582 -4.047 1.724 1.00 61.40 H new ATOM 0 HG21 THR A 176 10.972 -4.805 -0.058 1.00 31.01 H new ATOM 0 HG22 THR A 176 10.840 -3.952 -1.614 1.00 31.01 H new ATOM 0 HG23 THR A 176 11.610 -3.152 -0.224 1.00 31.01 H new ATOM 497 N VAL A 177 6.773 -1.895 -0.677 1.00 22.11 N ATOM 498 CA VAL A 177 5.457 -1.528 -0.138 1.00 72.04 C ATOM 499 C VAL A 177 5.445 -1.689 1.391 1.00 24.21 C ATOM 500 O VAL A 177 4.857 -0.883 2.115 1.00 22.12 O ATOM 501 CB VAL A 177 4.331 -2.396 -0.761 1.00 64.10 C ATOM 502 CG1 VAL A 177 2.965 -2.006 -0.199 1.00 75.01 C ATOM 503 CG2 VAL A 177 4.338 -2.283 -2.284 1.00 12.12 C ATOM 0 H VAL A 177 6.746 -2.601 -1.413 1.00 22.11 H new ATOM 0 HA VAL A 177 5.271 -0.485 -0.396 1.00 72.04 H new ATOM 0 HB VAL A 177 4.523 -3.435 -0.494 1.00 64.10 H new ATOM 0 HG11 VAL A 177 2.194 -2.629 -0.652 1.00 75.01 H new ATOM 0 HG12 VAL A 177 2.961 -2.151 0.881 1.00 75.01 H new ATOM 0 HG13 VAL A 177 2.764 -0.959 -0.425 1.00 75.01 H new ATOM 0 HG21 VAL A 177 3.540 -2.900 -2.698 1.00 12.12 H new ATOM 0 HG22 VAL A 177 4.180 -1.244 -2.572 1.00 12.12 H new ATOM 0 HG23 VAL A 177 5.298 -2.625 -2.670 1.00 12.12 H new ATOM 513 N ARG A 178 6.131 -2.727 1.863 1.00 44.12 N ATOM 514 CA ARG A 178 6.262 -3.000 3.296 1.00 72.33 C ATOM 515 C ARG A 178 7.065 -1.893 4.002 1.00 71.12 C ATOM 516 O ARG A 178 6.740 -1.489 5.119 1.00 62.32 O ATOM 517 CB ARG A 178 6.931 -4.375 3.486 1.00 4.02 C ATOM 518 CG ARG A 178 6.728 -5.011 4.864 1.00 12.55 C ATOM 519 CD ARG A 178 7.693 -4.461 5.917 1.00 64.01 C ATOM 520 NE ARG A 178 7.414 -4.983 7.257 1.00 42.23 N ATOM 521 CZ ARG A 178 7.985 -4.542 8.346 1.00 63.41 C ATOM 522 NH1 ARG A 178 8.872 -3.603 8.285 1.00 61.14 N ATOM 523 NH2 ARG A 178 7.669 -5.043 9.494 1.00 31.40 N ATOM 0 H ARG A 178 6.611 -3.402 1.267 1.00 44.12 H new ATOM 0 HA ARG A 178 5.271 -3.015 3.749 1.00 72.33 H new ATOM 0 HB2 ARG A 178 6.546 -5.057 2.728 1.00 4.02 H new ATOM 0 HB3 ARG A 178 8.001 -4.269 3.306 1.00 4.02 H new ATOM 0 HG2 ARG A 178 5.703 -4.839 5.192 1.00 12.55 H new ATOM 0 HG3 ARG A 178 6.860 -6.090 4.785 1.00 12.55 H new ATOM 0 HD2 ARG A 178 8.715 -4.715 5.637 1.00 64.01 H new ATOM 0 HD3 ARG A 178 7.628 -3.373 5.933 1.00 64.01 H new ATOM 0 HE ARG A 178 6.732 -5.737 7.345 1.00 42.23 H new ATOM 0 HH11 ARG A 178 9.129 -3.202 7.383 1.00 61.14 H new ATOM 0 HH12 ARG A 178 9.314 -3.263 9.139 1.00 61.14 H new ATOM 0 HH21 ARG A 178 6.972 -5.785 9.552 1.00 31.40 H new ATOM 0 HH22 ARG A 178 8.117 -4.696 10.342 1.00 31.40 H new ATOM 537 N ASP A 179 8.114 -1.403 3.341 1.00 13.32 N ATOM 538 CA ASP A 179 8.969 -0.359 3.912 1.00 75.24 C ATOM 539 C ASP A 179 8.334 1.041 3.782 1.00 24.04 C ATOM 540 O ASP A 179 8.585 1.924 4.603 1.00 64.23 O ATOM 541 CB ASP A 179 10.341 -0.376 3.234 1.00 11.41 C ATOM 542 CG ASP A 179 11.319 0.565 3.911 1.00 24.33 C ATOM 543 OD1 ASP A 179 11.739 0.262 5.047 1.00 71.02 O ATOM 544 OD2 ASP A 179 11.656 1.614 3.333 1.00 23.40 O ATOM 0 H ASP A 179 8.393 -1.711 2.410 1.00 13.32 H new ATOM 0 HA ASP A 179 9.083 -0.572 4.975 1.00 75.24 H new ATOM 0 HB2 ASP A 179 10.742 -1.390 3.251 1.00 11.41 H new ATOM 0 HB3 ASP A 179 10.232 -0.094 2.187 1.00 11.41 H new ATOM 549 N SER A 180 7.520 1.238 2.750 1.00 41.15 N ATOM 550 CA SER A 180 6.854 2.532 2.525 1.00 54.34 C ATOM 551 C SER A 180 5.638 2.707 3.447 1.00 33.45 C ATOM 552 O SER A 180 5.555 3.668 4.217 1.00 52.53 O ATOM 553 CB SER A 180 6.414 2.667 1.058 1.00 71.44 C ATOM 554 OG SER A 180 5.760 3.907 0.825 1.00 23.10 O ATOM 0 H SER A 180 7.301 0.525 2.054 1.00 41.15 H new ATOM 0 HA SER A 180 7.577 3.314 2.757 1.00 54.34 H new ATOM 0 HB2 SER A 180 7.284 2.585 0.407 1.00 71.44 H new ATOM 0 HB3 SER A 180 5.744 1.847 0.800 1.00 71.44 H new ATOM 0 HG SER A 180 5.494 3.965 -0.116 1.00 23.10 H new ATOM 560 N LEU A 181 4.708 1.755 3.390 1.00 32.31 N ATOM 561 CA LEU A 181 3.461 1.843 4.160 1.00 64.00 C ATOM 562 C LEU A 181 3.673 1.613 5.666 1.00 51.31 C ATOM 563 O LEU A 181 2.731 1.741 6.447 1.00 10.51 O ATOM 564 CB LEU A 181 2.427 0.848 3.614 1.00 2.03 C ATOM 565 CG LEU A 181 1.958 1.117 2.172 1.00 1.41 C ATOM 566 CD1 LEU A 181 0.852 0.144 1.768 1.00 23.42 C ATOM 567 CD2 LEU A 181 1.489 2.562 2.019 1.00 23.01 C ATOM 0 H LEU A 181 4.791 0.913 2.820 1.00 32.31 H new ATOM 0 HA LEU A 181 3.089 2.861 4.042 1.00 64.00 H new ATOM 0 HB2 LEU A 181 2.851 -0.155 3.660 1.00 2.03 H new ATOM 0 HB3 LEU A 181 1.557 0.856 4.270 1.00 2.03 H new ATOM 0 HG LEU A 181 2.806 0.960 1.505 1.00 1.41 H new ATOM 0 HD11 LEU A 181 0.538 0.354 0.746 1.00 23.42 H new ATOM 0 HD12 LEU A 181 1.226 -0.878 1.830 1.00 23.42 H new ATOM 0 HD13 LEU A 181 0.002 0.260 2.440 1.00 23.42 H new ATOM 0 HD21 LEU A 181 1.162 2.732 0.993 1.00 23.01 H new ATOM 0 HD22 LEU A 181 0.659 2.749 2.700 1.00 23.01 H new ATOM 0 HD23 LEU A 181 2.311 3.238 2.254 1.00 23.01 H new ATOM 579 N LYS A 182 4.902 1.297 6.084 1.00 75.34 N ATOM 580 CA LYS A 182 5.193 1.131 7.517 1.00 31.10 C ATOM 581 C LYS A 182 4.939 2.444 8.281 1.00 61.13 C ATOM 582 O LYS A 182 4.758 2.441 9.496 1.00 31.14 O ATOM 583 CB LYS A 182 6.635 0.641 7.751 1.00 54.54 C ATOM 584 CG LYS A 182 7.723 1.685 7.498 1.00 15.41 C ATOM 585 CD LYS A 182 9.105 1.154 7.885 1.00 22.12 C ATOM 586 CE LYS A 182 10.203 2.207 7.717 1.00 33.02 C ATOM 587 NZ LYS A 182 10.478 2.530 6.289 1.00 3.34 N ATOM 0 H LYS A 182 5.701 1.152 5.466 1.00 75.34 H new ATOM 0 HA LYS A 182 4.517 0.367 7.901 1.00 31.10 H new ATOM 0 HB2 LYS A 182 6.721 0.291 8.780 1.00 54.54 H new ATOM 0 HB3 LYS A 182 6.820 -0.218 7.106 1.00 54.54 H new ATOM 0 HG2 LYS A 182 7.721 1.967 6.445 1.00 15.41 H new ATOM 0 HG3 LYS A 182 7.504 2.587 8.070 1.00 15.41 H new ATOM 0 HD2 LYS A 182 9.084 0.817 8.921 1.00 22.12 H new ATOM 0 HD3 LYS A 182 9.342 0.285 7.272 1.00 22.12 H new ATOM 0 HE2 LYS A 182 9.911 3.117 8.241 1.00 33.02 H new ATOM 0 HE3 LYS A 182 11.119 1.849 8.187 1.00 33.02 H new ATOM 0 HZ1 LYS A 182 10.567 3.560 6.177 1.00 3.34 H new ATOM 0 HZ2 LYS A 182 11.364 2.072 5.994 1.00 3.34 H new ATOM 0 HZ3 LYS A 182 9.696 2.184 5.698 1.00 3.34 H new ATOM 601 N LYS A 183 4.934 3.564 7.554 1.00 4.22 N ATOM 602 CA LYS A 183 4.556 4.865 8.124 1.00 22.21 C ATOM 603 C LYS A 183 3.027 5.006 8.201 1.00 63.02 C ATOM 604 O LYS A 183 2.466 5.285 9.266 1.00 10.23 O ATOM 605 CB LYS A 183 5.137 6.008 7.276 1.00 33.34 C ATOM 606 CG LYS A 183 6.661 6.103 7.320 1.00 24.40 C ATOM 607 CD LYS A 183 7.198 7.170 6.367 1.00 75.45 C ATOM 608 CE LYS A 183 6.554 8.536 6.601 1.00 23.14 C ATOM 609 NZ LYS A 183 6.729 9.015 7.999 1.00 31.25 N ATOM 0 H LYS A 183 5.188 3.599 6.567 1.00 4.22 H new ATOM 0 HA LYS A 183 4.964 4.922 9.133 1.00 22.21 H new ATOM 0 HB2 LYS A 183 4.821 5.875 6.241 1.00 33.34 H new ATOM 0 HB3 LYS A 183 4.714 6.952 7.619 1.00 33.34 H new ATOM 0 HG2 LYS A 183 6.980 6.332 8.337 1.00 24.40 H new ATOM 0 HG3 LYS A 183 7.092 5.136 7.061 1.00 24.40 H new ATOM 0 HD2 LYS A 183 8.278 7.254 6.491 1.00 75.45 H new ATOM 0 HD3 LYS A 183 7.019 6.858 5.338 1.00 75.45 H new ATOM 0 HE2 LYS A 183 6.989 9.262 5.914 1.00 23.14 H new ATOM 0 HE3 LYS A 183 5.490 8.477 6.371 1.00 23.14 H new ATOM 0 HZ1 LYS A 183 6.335 9.973 8.090 1.00 31.25 H new ATOM 0 HZ2 LYS A 183 6.233 8.374 8.650 1.00 31.25 H new ATOM 0 HZ3 LYS A 183 7.742 9.033 8.235 1.00 31.25 H new ATOM 623 N ALA A 184 2.361 4.793 7.065 1.00 40.13 N ATOM 624 CA ALA A 184 0.899 4.904 6.980 1.00 44.14 C ATOM 625 C ALA A 184 0.195 3.959 7.966 1.00 25.51 C ATOM 626 O ALA A 184 -0.851 4.286 8.522 1.00 43.01 O ATOM 627 CB ALA A 184 0.434 4.623 5.555 1.00 50.45 C ATOM 0 H ALA A 184 2.811 4.541 6.185 1.00 40.13 H new ATOM 0 HA ALA A 184 0.628 5.924 7.254 1.00 44.14 H new ATOM 0 HB1 ALA A 184 -0.651 4.708 5.503 1.00 50.45 H new ATOM 0 HB2 ALA A 184 0.887 5.345 4.875 1.00 50.45 H new ATOM 0 HB3 ALA A 184 0.733 3.615 5.267 1.00 50.45 H new ATOM 633 N LEU A 185 0.775 2.784 8.179 1.00 53.44 N ATOM 634 CA LEU A 185 0.227 1.818 9.133 1.00 65.52 C ATOM 635 C LEU A 185 0.646 2.147 10.574 1.00 51.33 C ATOM 636 O LEU A 185 -0.062 1.812 11.522 1.00 71.21 O ATOM 637 CB LEU A 185 0.656 0.395 8.757 1.00 14.12 C ATOM 638 CG LEU A 185 0.131 -0.100 7.399 1.00 10.11 C ATOM 639 CD1 LEU A 185 0.663 -1.495 7.088 1.00 31.32 C ATOM 640 CD2 LEU A 185 -1.399 -0.087 7.375 1.00 75.22 C ATOM 0 H LEU A 185 1.624 2.474 7.706 1.00 53.44 H new ATOM 0 HA LEU A 185 -0.860 1.882 9.085 1.00 65.52 H new ATOM 0 HB2 LEU A 185 1.745 0.350 8.748 1.00 14.12 H new ATOM 0 HB3 LEU A 185 0.315 -0.289 9.534 1.00 14.12 H new ATOM 0 HG LEU A 185 0.491 0.580 6.627 1.00 10.11 H new ATOM 0 HD11 LEU A 185 0.278 -1.824 6.123 1.00 31.32 H new ATOM 0 HD12 LEU A 185 1.752 -1.470 7.055 1.00 31.32 H new ATOM 0 HD13 LEU A 185 0.339 -2.189 7.864 1.00 31.32 H new ATOM 0 HD21 LEU A 185 -1.751 -0.441 6.406 1.00 75.22 H new ATOM 0 HD22 LEU A 185 -1.781 -0.740 8.160 1.00 75.22 H new ATOM 0 HD23 LEU A 185 -1.757 0.929 7.542 1.00 75.22 H new ATOM 652 N MET A 186 1.783 2.825 10.739 1.00 23.22 N ATOM 653 CA MET A 186 2.248 3.228 12.072 1.00 43.50 C ATOM 654 C MET A 186 1.275 4.228 12.716 1.00 51.20 C ATOM 655 O MET A 186 0.973 4.137 13.906 1.00 54.43 O ATOM 656 CB MET A 186 3.657 3.835 12.002 1.00 64.14 C ATOM 657 CG MET A 186 4.284 4.166 13.360 1.00 65.20 C ATOM 658 SD MET A 186 4.836 2.709 14.289 1.00 21.23 S ATOM 659 CE MET A 186 3.299 2.038 14.938 1.00 24.22 C ATOM 0 H MET A 186 2.396 3.106 9.974 1.00 23.22 H new ATOM 0 HA MET A 186 2.286 2.333 12.692 1.00 43.50 H new ATOM 0 HB2 MET A 186 4.311 3.139 11.476 1.00 64.14 H new ATOM 0 HB3 MET A 186 3.615 4.746 11.405 1.00 64.14 H new ATOM 0 HG2 MET A 186 5.135 4.829 13.204 1.00 65.20 H new ATOM 0 HG3 MET A 186 3.558 4.714 13.961 1.00 65.20 H new ATOM 0 HE1 MET A 186 3.480 1.596 15.918 1.00 24.22 H new ATOM 0 HE2 MET A 186 2.563 2.837 15.030 1.00 24.22 H new ATOM 0 HE3 MET A 186 2.921 1.273 14.260 1.00 24.22 H new ATOM 669 N MET A 187 0.781 5.181 11.925 1.00 0.52 N ATOM 670 CA MET A 187 -0.238 6.128 12.410 1.00 2.24 C ATOM 671 C MET A 187 -1.580 5.412 12.663 1.00 44.33 C ATOM 672 O MET A 187 -2.425 5.896 13.416 1.00 30.15 O ATOM 673 CB MET A 187 -0.419 7.293 11.421 1.00 71.44 C ATOM 674 CG MET A 187 -0.879 6.873 10.030 1.00 71.54 C ATOM 675 SD MET A 187 -1.005 8.263 8.884 1.00 71.33 S ATOM 676 CE MET A 187 -2.290 9.244 9.663 1.00 43.40 C ATOM 0 H MET A 187 1.063 5.322 10.955 1.00 0.52 H new ATOM 0 HA MET A 187 0.110 6.539 13.358 1.00 2.24 H new ATOM 0 HB2 MET A 187 -1.144 7.994 11.834 1.00 71.44 H new ATOM 0 HB3 MET A 187 0.527 7.828 11.332 1.00 71.44 H new ATOM 0 HG2 MET A 187 -0.181 6.139 9.628 1.00 71.54 H new ATOM 0 HG3 MET A 187 -1.849 6.382 10.106 1.00 71.54 H new ATOM 0 HE1 MET A 187 -2.689 9.959 8.943 1.00 43.40 H new ATOM 0 HE2 MET A 187 -3.091 8.589 10.006 1.00 43.40 H new ATOM 0 HE3 MET A 187 -1.872 9.782 10.514 1.00 43.40 H new ATOM 686 N ARG A 188 -1.761 4.252 12.027 1.00 52.51 N ATOM 687 CA ARG A 188 -2.933 3.399 12.267 1.00 54.12 C ATOM 688 C ARG A 188 -2.715 2.505 13.500 1.00 0.14 C ATOM 689 O ARG A 188 -3.671 2.009 14.097 1.00 30.40 O ATOM 690 CB ARG A 188 -3.216 2.520 11.035 1.00 40.22 C ATOM 691 CG ARG A 188 -3.565 3.302 9.770 1.00 32.20 C ATOM 692 CD ARG A 188 -4.869 4.074 9.925 1.00 62.23 C ATOM 693 NE ARG A 188 -5.986 3.194 10.260 1.00 60.12 N ATOM 694 CZ ARG A 188 -7.093 3.595 10.817 1.00 43.55 C ATOM 695 NH1 ARG A 188 -7.299 4.849 11.070 1.00 32.44 N ATOM 696 NH2 ARG A 188 -8.002 2.730 11.114 1.00 41.33 N ATOM 0 H ARG A 188 -1.108 3.878 11.338 1.00 52.51 H new ATOM 0 HA ARG A 188 -3.790 4.047 12.451 1.00 54.12 H new ATOM 0 HB2 ARG A 188 -2.341 1.902 10.836 1.00 40.22 H new ATOM 0 HB3 ARG A 188 -4.038 1.843 11.268 1.00 40.22 H new ATOM 0 HG2 ARG A 188 -2.757 3.996 9.537 1.00 32.20 H new ATOM 0 HG3 ARG A 188 -3.647 2.614 8.928 1.00 32.20 H new ATOM 0 HD2 ARG A 188 -4.754 4.828 10.704 1.00 62.23 H new ATOM 0 HD3 ARG A 188 -5.090 4.604 8.998 1.00 62.23 H new ATOM 0 HE ARG A 188 -5.893 2.202 10.044 1.00 60.12 H new ATOM 0 HH11 ARG A 188 -6.588 5.541 10.832 1.00 32.44 H new ATOM 0 HH12 ARG A 188 -8.172 5.144 11.507 1.00 32.44 H new ATOM 0 HH21 ARG A 188 -7.851 1.742 10.913 1.00 41.33 H new ATOM 0 HH22 ARG A 188 -8.872 3.034 11.550 1.00 41.33 H new ATOM 710 N GLY A 189 -1.448 2.301 13.868 1.00 1.13 N ATOM 711 CA GLY A 189 -1.114 1.453 15.009 1.00 12.44 C ATOM 712 C GLY A 189 -1.015 -0.026 14.646 1.00 55.21 C ATOM 713 O GLY A 189 -1.268 -0.897 15.481 1.00 50.10 O ATOM 0 H GLY A 189 -0.642 2.710 13.394 1.00 1.13 H new ATOM 0 HA2 GLY A 189 -0.165 1.781 15.433 1.00 12.44 H new ATOM 0 HA3 GLY A 189 -1.870 1.581 15.783 1.00 12.44 H new ATOM 717 N LEU A 190 -0.632 -0.312 13.401 1.00 51.32 N ATOM 718 CA LEU A 190 -0.572 -1.690 12.891 1.00 75.42 C ATOM 719 C LEU A 190 0.764 -1.982 12.189 1.00 73.14 C ATOM 720 O LEU A 190 1.520 -1.069 11.851 1.00 72.51 O ATOM 721 CB LEU A 190 -1.729 -1.923 11.908 1.00 54.11 C ATOM 722 CG LEU A 190 -3.142 -1.765 12.498 1.00 72.50 C ATOM 723 CD1 LEU A 190 -4.196 -1.822 11.396 1.00 65.14 C ATOM 724 CD2 LEU A 190 -3.409 -2.837 13.555 1.00 72.02 C ATOM 0 H LEU A 190 -0.356 0.395 12.720 1.00 51.32 H new ATOM 0 HA LEU A 190 -0.657 -2.366 13.742 1.00 75.42 H new ATOM 0 HB2 LEU A 190 -1.622 -1.227 11.076 1.00 54.11 H new ATOM 0 HB3 LEU A 190 -1.636 -2.928 11.497 1.00 54.11 H new ATOM 0 HG LEU A 190 -3.203 -0.789 12.979 1.00 72.50 H new ATOM 0 HD11 LEU A 190 -5.187 -1.708 11.835 1.00 65.14 H new ATOM 0 HD12 LEU A 190 -4.020 -1.017 10.683 1.00 65.14 H new ATOM 0 HD13 LEU A 190 -4.134 -2.782 10.883 1.00 65.14 H new ATOM 0 HD21 LEU A 190 -4.413 -2.707 13.959 1.00 72.02 H new ATOM 0 HD22 LEU A 190 -3.325 -3.824 13.101 1.00 72.02 H new ATOM 0 HD23 LEU A 190 -2.679 -2.745 14.359 1.00 72.02 H new ATOM 736 N ILE A 191 1.044 -3.267 11.971 1.00 12.14 N ATOM 737 CA ILE A 191 2.248 -3.698 11.250 1.00 55.11 C ATOM 738 C ILE A 191 1.896 -4.222 9.840 1.00 14.13 C ATOM 739 O ILE A 191 0.860 -4.866 9.650 1.00 15.55 O ATOM 740 CB ILE A 191 3.013 -4.801 12.033 1.00 34.31 C ATOM 741 CG1 ILE A 191 2.102 -6.013 12.306 1.00 50.43 C ATOM 742 CG2 ILE A 191 3.571 -4.240 13.340 1.00 75.32 C ATOM 743 CD1 ILE A 191 2.783 -7.149 13.046 1.00 54.31 C ATOM 0 H ILE A 191 0.450 -4.035 12.285 1.00 12.14 H new ATOM 0 HA ILE A 191 2.891 -2.823 11.155 1.00 55.11 H new ATOM 0 HB ILE A 191 3.848 -5.138 11.419 1.00 34.31 H new ATOM 0 HG12 ILE A 191 1.240 -5.682 12.885 1.00 50.43 H new ATOM 0 HG13 ILE A 191 1.722 -6.389 11.356 1.00 50.43 H new ATOM 0 HG21 ILE A 191 4.104 -5.026 13.875 1.00 75.32 H new ATOM 0 HG22 ILE A 191 4.257 -3.421 13.121 1.00 75.32 H new ATOM 0 HG23 ILE A 191 2.751 -3.872 13.957 1.00 75.32 H new ATOM 0 HD11 ILE A 191 2.073 -7.962 13.198 1.00 54.31 H new ATOM 0 HD12 ILE A 191 3.628 -7.510 12.460 1.00 54.31 H new ATOM 0 HD13 ILE A 191 3.138 -6.792 14.013 1.00 54.31 H new ATOM 755 N PRO A 192 2.755 -3.951 8.832 1.00 42.45 N ATOM 756 CA PRO A 192 2.516 -4.367 7.432 1.00 32.12 C ATOM 757 C PRO A 192 2.205 -5.867 7.269 1.00 11.14 C ATOM 758 O PRO A 192 1.294 -6.243 6.531 1.00 53.12 O ATOM 759 CB PRO A 192 3.831 -4.010 6.728 1.00 24.32 C ATOM 760 CG PRO A 192 4.417 -2.911 7.550 1.00 21.02 C ATOM 761 CD PRO A 192 4.026 -3.206 8.972 1.00 10.01 C ATOM 0 HA PRO A 192 1.636 -3.872 7.021 1.00 32.12 H new ATOM 0 HB2 PRO A 192 4.500 -4.869 6.681 1.00 24.32 H new ATOM 0 HB3 PRO A 192 3.655 -3.686 5.702 1.00 24.32 H new ATOM 0 HG2 PRO A 192 5.501 -2.878 7.442 1.00 21.02 H new ATOM 0 HG3 PRO A 192 4.035 -1.940 7.233 1.00 21.02 H new ATOM 0 HD2 PRO A 192 4.785 -3.799 9.482 1.00 10.01 H new ATOM 0 HD3 PRO A 192 3.894 -2.291 9.550 1.00 10.01 H new ATOM 769 N GLU A 193 2.947 -6.720 7.974 1.00 3.01 N ATOM 770 CA GLU A 193 2.765 -8.176 7.865 1.00 72.43 C ATOM 771 C GLU A 193 1.442 -8.650 8.494 1.00 52.12 C ATOM 772 O GLU A 193 1.132 -9.842 8.484 1.00 35.33 O ATOM 773 CB GLU A 193 3.956 -8.940 8.483 1.00 13.31 C ATOM 774 CG GLU A 193 4.417 -8.433 9.851 1.00 11.42 C ATOM 775 CD GLU A 193 5.483 -7.349 9.757 1.00 54.31 C ATOM 776 OE1 GLU A 193 5.130 -6.157 9.690 1.00 45.24 O ATOM 777 OE2 GLU A 193 6.685 -7.687 9.741 1.00 20.14 O ATOM 0 H GLU A 193 3.678 -6.435 8.625 1.00 3.01 H new ATOM 0 HA GLU A 193 2.722 -8.402 6.799 1.00 72.43 H new ATOM 0 HB2 GLU A 193 3.683 -9.991 8.576 1.00 13.31 H new ATOM 0 HB3 GLU A 193 4.798 -8.889 7.792 1.00 13.31 H new ATOM 0 HG2 GLU A 193 3.557 -8.043 10.396 1.00 11.42 H new ATOM 0 HG3 GLU A 193 4.808 -9.270 10.429 1.00 11.42 H new ATOM 784 N CYS A 194 0.668 -7.720 9.050 1.00 55.03 N ATOM 785 CA CYS A 194 -0.675 -8.030 9.564 1.00 20.15 C ATOM 786 C CYS A 194 -1.763 -7.455 8.645 1.00 3.45 C ATOM 787 O CYS A 194 -2.947 -7.459 8.985 1.00 63.40 O ATOM 788 CB CYS A 194 -0.852 -7.477 10.984 1.00 42.42 C ATOM 789 SG CYS A 194 -2.464 -7.836 11.723 1.00 52.12 S ATOM 0 H CYS A 194 0.943 -6.744 9.159 1.00 55.03 H new ATOM 0 HA CYS A 194 -0.777 -9.115 9.589 1.00 20.15 H new ATOM 0 HB2 CYS A 194 -0.072 -7.890 11.623 1.00 42.42 H new ATOM 0 HB3 CYS A 194 -0.707 -6.397 10.962 1.00 42.42 H new ATOM 0 HG CYS A 194 -3.379 -7.818 10.799 1.00 52.12 H new ATOM 795 N CYS A 195 -1.350 -6.973 7.474 1.00 31.33 N ATOM 796 CA CYS A 195 -2.270 -6.362 6.505 1.00 44.55 C ATOM 797 C CYS A 195 -2.055 -6.937 5.094 1.00 24.24 C ATOM 798 O CYS A 195 -1.105 -7.682 4.851 1.00 42.10 O ATOM 799 CB CYS A 195 -2.075 -4.841 6.483 1.00 33.33 C ATOM 800 SG CYS A 195 -2.283 -4.041 8.095 1.00 21.24 S ATOM 0 H CYS A 195 -0.377 -6.992 7.168 1.00 31.33 H new ATOM 0 HA CYS A 195 -3.289 -6.593 6.815 1.00 44.55 H new ATOM 0 HB2 CYS A 195 -1.076 -4.620 6.106 1.00 33.33 H new ATOM 0 HB3 CYS A 195 -2.785 -4.405 5.780 1.00 33.33 H new ATOM 0 HG CYS A 195 -1.229 -4.255 8.825 1.00 21.24 H new ATOM 806 N ALA A 196 -2.937 -6.579 4.163 1.00 70.31 N ATOM 807 CA ALA A 196 -2.852 -7.073 2.783 1.00 2.33 C ATOM 808 C ALA A 196 -3.111 -5.955 1.765 1.00 50.52 C ATOM 809 O ALA A 196 -4.123 -5.258 1.838 1.00 31.13 O ATOM 810 CB ALA A 196 -3.840 -8.216 2.571 1.00 51.54 C ATOM 0 H ALA A 196 -3.720 -5.949 4.335 1.00 70.31 H new ATOM 0 HA ALA A 196 -1.838 -7.440 2.624 1.00 2.33 H new ATOM 0 HB1 ALA A 196 -3.768 -8.574 1.544 1.00 51.54 H new ATOM 0 HB2 ALA A 196 -3.606 -9.031 3.256 1.00 51.54 H new ATOM 0 HB3 ALA A 196 -4.853 -7.861 2.761 1.00 51.54 H new ATOM 816 N VAL A 197 -2.185 -5.789 0.821 1.00 30.23 N ATOM 817 CA VAL A 197 -2.338 -4.809 -0.260 1.00 10.44 C ATOM 818 C VAL A 197 -2.833 -5.488 -1.546 1.00 21.51 C ATOM 819 O VAL A 197 -2.223 -6.446 -2.023 1.00 23.14 O ATOM 820 CB VAL A 197 -0.996 -4.094 -0.572 1.00 23.21 C ATOM 821 CG1 VAL A 197 -1.186 -3.005 -1.629 1.00 10.34 C ATOM 822 CG2 VAL A 197 -0.372 -3.517 0.694 1.00 73.42 C ATOM 0 H VAL A 197 -1.316 -6.322 0.781 1.00 30.23 H new ATOM 0 HA VAL A 197 -3.069 -4.075 0.080 1.00 10.44 H new ATOM 0 HB VAL A 197 -0.310 -4.839 -0.975 1.00 23.21 H new ATOM 0 HG11 VAL A 197 -0.230 -2.521 -1.828 1.00 10.34 H new ATOM 0 HG12 VAL A 197 -1.565 -3.452 -2.548 1.00 10.34 H new ATOM 0 HG13 VAL A 197 -1.899 -2.265 -1.265 1.00 10.34 H new ATOM 0 HG21 VAL A 197 0.567 -3.022 0.444 1.00 73.42 H new ATOM 0 HG22 VAL A 197 -1.056 -2.794 1.140 1.00 73.42 H new ATOM 0 HG23 VAL A 197 -0.180 -4.321 1.404 1.00 73.42 H new ATOM 832 N TYR A 198 -3.934 -5.001 -2.105 1.00 34.51 N ATOM 833 CA TYR A 198 -4.428 -5.515 -3.386 1.00 2.42 C ATOM 834 C TYR A 198 -4.866 -4.375 -4.314 1.00 51.21 C ATOM 835 O TYR A 198 -5.360 -3.333 -3.869 1.00 33.32 O ATOM 836 CB TYR A 198 -5.576 -6.520 -3.172 1.00 63.13 C ATOM 837 CG TYR A 198 -6.823 -5.941 -2.524 1.00 73.40 C ATOM 838 CD1 TYR A 198 -6.962 -5.906 -1.139 1.00 15.23 C ATOM 839 CD2 TYR A 198 -7.869 -5.444 -3.299 1.00 14.11 C ATOM 840 CE1 TYR A 198 -8.102 -5.396 -0.549 1.00 74.30 C ATOM 841 CE2 TYR A 198 -9.009 -4.930 -2.714 1.00 4.01 C ATOM 842 CZ TYR A 198 -9.121 -4.908 -1.340 1.00 52.04 C ATOM 843 OH TYR A 198 -10.262 -4.403 -0.760 1.00 73.45 O ATOM 0 H TYR A 198 -4.501 -4.257 -1.699 1.00 34.51 H new ATOM 0 HA TYR A 198 -3.604 -6.039 -3.870 1.00 2.42 H new ATOM 0 HB2 TYR A 198 -5.851 -6.946 -4.137 1.00 63.13 H new ATOM 0 HB3 TYR A 198 -5.211 -7.340 -2.554 1.00 63.13 H new ATOM 0 HD1 TYR A 198 -6.165 -6.284 -0.516 1.00 15.23 H new ATOM 0 HD2 TYR A 198 -7.786 -5.461 -4.376 1.00 14.11 H new ATOM 0 HE1 TYR A 198 -8.195 -5.379 0.527 1.00 74.30 H new ATOM 0 HE2 TYR A 198 -9.809 -4.547 -3.330 1.00 4.01 H new ATOM 0 HH TYR A 198 -10.878 -4.100 -1.459 1.00 73.45 H new ATOM 853 N ARG A 199 -4.668 -4.584 -5.610 1.00 44.41 N ATOM 854 CA ARG A 199 -5.023 -3.601 -6.634 1.00 74.42 C ATOM 855 C ARG A 199 -6.222 -4.099 -7.456 1.00 1.21 C ATOM 856 O ARG A 199 -6.217 -5.224 -7.965 1.00 1.41 O ATOM 857 CB ARG A 199 -3.806 -3.348 -7.547 1.00 54.11 C ATOM 858 CG ARG A 199 -3.371 -4.573 -8.353 1.00 74.44 C ATOM 859 CD ARG A 199 -1.951 -4.444 -8.905 1.00 53.11 C ATOM 860 NE ARG A 199 -1.747 -3.218 -9.673 1.00 52.14 N ATOM 861 CZ ARG A 199 -1.477 -3.181 -10.951 1.00 62.10 C ATOM 862 NH1 ARG A 199 -1.428 -4.268 -11.657 1.00 11.22 N ATOM 863 NH2 ARG A 199 -1.242 -2.045 -11.517 1.00 12.40 N ATOM 0 H ARG A 199 -4.257 -5.439 -5.984 1.00 44.41 H new ATOM 0 HA ARG A 199 -5.306 -2.665 -6.153 1.00 74.42 H new ATOM 0 HB2 ARG A 199 -4.043 -2.537 -8.236 1.00 54.11 H new ATOM 0 HB3 ARG A 199 -2.969 -3.012 -6.935 1.00 54.11 H new ATOM 0 HG2 ARG A 199 -3.431 -5.459 -7.721 1.00 74.44 H new ATOM 0 HG3 ARG A 199 -4.065 -4.724 -9.180 1.00 74.44 H new ATOM 0 HD2 ARG A 199 -1.242 -4.470 -8.078 1.00 53.11 H new ATOM 0 HD3 ARG A 199 -1.734 -5.304 -9.539 1.00 53.11 H new ATOM 0 HE ARG A 199 -1.820 -2.330 -9.177 1.00 52.14 H new ATOM 0 HH11 ARG A 199 -1.602 -5.171 -11.216 1.00 11.22 H new ATOM 0 HH12 ARG A 199 -1.216 -4.220 -12.654 1.00 11.22 H new ATOM 0 HH21 ARG A 199 -1.268 -1.186 -10.967 1.00 12.40 H new ATOM 0 HH22 ARG A 199 -1.030 -2.006 -12.514 1.00 12.40 H new ATOM 877 N ILE A 200 -7.260 -3.280 -7.566 1.00 63.01 N ATOM 878 CA ILE A 200 -8.421 -3.641 -8.376 1.00 62.24 C ATOM 879 C ILE A 200 -8.107 -3.432 -9.863 1.00 54.32 C ATOM 880 O ILE A 200 -8.338 -2.362 -10.434 1.00 32.41 O ATOM 881 CB ILE A 200 -9.688 -2.850 -7.957 1.00 30.31 C ATOM 882 CG1 ILE A 200 -9.995 -3.106 -6.467 1.00 3.22 C ATOM 883 CG2 ILE A 200 -10.885 -3.235 -8.836 1.00 24.22 C ATOM 884 CD1 ILE A 200 -11.241 -2.410 -5.961 1.00 24.22 C ATOM 0 H ILE A 200 -7.324 -2.370 -7.110 1.00 63.01 H new ATOM 0 HA ILE A 200 -8.637 -4.696 -8.205 1.00 62.24 H new ATOM 0 HB ILE A 200 -9.501 -1.785 -8.098 1.00 30.31 H new ATOM 0 HG12 ILE A 200 -10.102 -4.179 -6.309 1.00 3.22 H new ATOM 0 HG13 ILE A 200 -9.143 -2.780 -5.871 1.00 3.22 H new ATOM 0 HG21 ILE A 200 -11.762 -2.668 -8.524 1.00 24.22 H new ATOM 0 HG22 ILE A 200 -10.659 -3.010 -9.878 1.00 24.22 H new ATOM 0 HG23 ILE A 200 -11.086 -4.301 -8.731 1.00 24.22 H new ATOM 0 HD11 ILE A 200 -11.384 -2.642 -4.906 1.00 24.22 H new ATOM 0 HD12 ILE A 200 -11.131 -1.333 -6.084 1.00 24.22 H new ATOM 0 HD13 ILE A 200 -12.106 -2.754 -6.529 1.00 24.22 H new ATOM 896 N GLN A 201 -7.543 -4.469 -10.471 1.00 41.41 N ATOM 897 CA GLN A 201 -7.037 -4.401 -11.841 1.00 53.22 C ATOM 898 C GLN A 201 -7.824 -5.335 -12.767 1.00 40.15 C ATOM 899 O GLN A 201 -8.134 -6.464 -12.393 1.00 11.13 O ATOM 900 CB GLN A 201 -5.545 -4.783 -11.853 1.00 52.40 C ATOM 901 CG GLN A 201 -4.855 -4.620 -13.210 1.00 42.45 C ATOM 902 CD GLN A 201 -4.680 -3.167 -13.630 1.00 25.12 C ATOM 903 OE1 GLN A 201 -5.474 -2.299 -13.287 1.00 65.34 O ATOM 904 NE2 GLN A 201 -3.634 -2.889 -14.377 1.00 20.44 N ATOM 0 H GLN A 201 -7.423 -5.381 -10.030 1.00 41.41 H new ATOM 0 HA GLN A 201 -7.160 -3.382 -12.208 1.00 53.22 H new ATOM 0 HB2 GLN A 201 -5.021 -4.171 -11.118 1.00 52.40 H new ATOM 0 HB3 GLN A 201 -5.447 -5.820 -11.533 1.00 52.40 H new ATOM 0 HG2 GLN A 201 -3.877 -5.099 -13.172 1.00 42.45 H new ATOM 0 HG3 GLN A 201 -5.436 -5.142 -13.970 1.00 42.45 H new ATOM 0 HE21 GLN A 201 -2.989 -3.631 -14.648 1.00 20.44 H new ATOM 0 HE22 GLN A 201 -3.468 -1.931 -14.685 1.00 20.44 H new ATOM 913 N ASP A 202 -8.160 -4.845 -13.960 1.00 10.43 N ATOM 914 CA ASP A 202 -8.817 -5.660 -14.994 1.00 43.11 C ATOM 915 C ASP A 202 -10.120 -6.321 -14.482 1.00 55.33 C ATOM 916 O ASP A 202 -10.559 -7.354 -14.995 1.00 34.15 O ATOM 917 CB ASP A 202 -7.824 -6.712 -15.510 1.00 53.43 C ATOM 918 CG ASP A 202 -8.284 -7.374 -16.795 1.00 63.44 C ATOM 919 OD1 ASP A 202 -8.406 -6.664 -17.817 1.00 45.34 O ATOM 920 OD2 ASP A 202 -8.503 -8.603 -16.797 1.00 62.44 O ATOM 0 H ASP A 202 -7.988 -3.879 -14.240 1.00 10.43 H new ATOM 0 HA ASP A 202 -9.112 -5.005 -15.813 1.00 43.11 H new ATOM 0 HB2 ASP A 202 -6.856 -6.240 -15.676 1.00 53.43 H new ATOM 0 HB3 ASP A 202 -7.680 -7.475 -14.745 1.00 53.43 H new ATOM 925 N GLY A 203 -10.749 -5.701 -13.485 1.00 51.23 N ATOM 926 CA GLY A 203 -12.019 -6.202 -12.965 1.00 12.33 C ATOM 927 C GLY A 203 -11.880 -7.246 -11.857 1.00 54.22 C ATOM 928 O GLY A 203 -12.836 -7.965 -11.554 1.00 61.21 O ATOM 0 H GLY A 203 -10.404 -4.859 -13.025 1.00 51.23 H new ATOM 0 HA2 GLY A 203 -12.599 -5.361 -12.584 1.00 12.33 H new ATOM 0 HA3 GLY A 203 -12.588 -6.636 -13.787 1.00 12.33 H new ATOM 932 N GLU A 204 -10.704 -7.335 -11.244 1.00 41.11 N ATOM 933 CA GLU A 204 -10.491 -8.273 -10.135 1.00 5.42 C ATOM 934 C GLU A 204 -9.663 -7.645 -9.006 1.00 4.23 C ATOM 935 O GLU A 204 -8.857 -6.739 -9.233 1.00 32.23 O ATOM 936 CB GLU A 204 -9.790 -9.548 -10.631 1.00 4.43 C ATOM 937 CG GLU A 204 -8.341 -9.332 -11.066 1.00 30.31 C ATOM 938 CD GLU A 204 -7.632 -10.626 -11.430 1.00 10.45 C ATOM 939 OE1 GLU A 204 -7.376 -11.444 -10.518 1.00 72.04 O ATOM 940 OE2 GLU A 204 -7.331 -10.834 -12.624 1.00 63.22 O ATOM 0 H GLU A 204 -9.887 -6.776 -11.490 1.00 41.11 H new ATOM 0 HA GLU A 204 -11.475 -8.526 -9.739 1.00 5.42 H new ATOM 0 HB2 GLU A 204 -9.813 -10.295 -9.837 1.00 4.43 H new ATOM 0 HB3 GLU A 204 -10.353 -9.957 -11.470 1.00 4.43 H new ATOM 0 HG2 GLU A 204 -8.321 -8.659 -11.924 1.00 30.31 H new ATOM 0 HG3 GLU A 204 -7.795 -8.839 -10.261 1.00 30.31 H new ATOM 947 N LYS A 205 -9.882 -8.121 -7.785 1.00 31.23 N ATOM 948 CA LYS A 205 -9.028 -7.763 -6.654 1.00 5.11 C ATOM 949 C LYS A 205 -7.720 -8.565 -6.720 1.00 71.12 C ATOM 950 O LYS A 205 -7.657 -9.709 -6.269 1.00 21.20 O ATOM 951 CB LYS A 205 -9.753 -8.050 -5.333 1.00 33.41 C ATOM 952 CG LYS A 205 -11.043 -7.252 -5.144 1.00 34.03 C ATOM 953 CD LYS A 205 -11.849 -7.751 -3.944 1.00 72.22 C ATOM 954 CE LYS A 205 -11.055 -7.670 -2.647 1.00 65.10 C ATOM 955 NZ LYS A 205 -11.788 -8.271 -1.503 1.00 23.04 N ATOM 0 H LYS A 205 -10.644 -8.757 -7.551 1.00 31.23 H new ATOM 0 HA LYS A 205 -8.799 -6.698 -6.704 1.00 5.11 H new ATOM 0 HB2 LYS A 205 -9.985 -9.114 -5.282 1.00 33.41 H new ATOM 0 HB3 LYS A 205 -9.078 -7.831 -4.505 1.00 33.41 H new ATOM 0 HG2 LYS A 205 -10.802 -6.198 -5.007 1.00 34.03 H new ATOM 0 HG3 LYS A 205 -11.651 -7.325 -6.046 1.00 34.03 H new ATOM 0 HD2 LYS A 205 -12.760 -7.160 -3.848 1.00 72.22 H new ATOM 0 HD3 LYS A 205 -12.155 -8.783 -4.117 1.00 72.22 H new ATOM 0 HE2 LYS A 205 -10.101 -8.182 -2.774 1.00 65.10 H new ATOM 0 HE3 LYS A 205 -10.830 -6.627 -2.425 1.00 65.10 H new ATOM 0 HZ1 LYS A 205 -11.211 -8.194 -0.642 1.00 23.04 H new ATOM 0 HZ2 LYS A 205 -12.687 -7.767 -1.364 1.00 23.04 H new ATOM 0 HZ3 LYS A 205 -11.980 -9.274 -1.702 1.00 23.04 H new ATOM 969 N LYS A 206 -6.687 -7.975 -7.310 1.00 20.41 N ATOM 970 CA LYS A 206 -5.418 -8.678 -7.521 1.00 21.21 C ATOM 971 C LYS A 206 -4.392 -8.326 -6.430 1.00 73.41 C ATOM 972 O LYS A 206 -3.942 -7.183 -6.337 1.00 52.23 O ATOM 973 CB LYS A 206 -4.859 -8.334 -8.905 1.00 15.12 C ATOM 974 CG LYS A 206 -3.716 -9.242 -9.337 1.00 4.01 C ATOM 975 CD LYS A 206 -3.163 -8.858 -10.705 1.00 40.04 C ATOM 976 CE LYS A 206 -2.148 -9.881 -11.201 1.00 50.14 C ATOM 977 NZ LYS A 206 -2.782 -11.200 -11.463 1.00 5.31 N ATOM 0 H LYS A 206 -6.699 -7.014 -7.652 1.00 20.41 H new ATOM 0 HA LYS A 206 -5.609 -9.750 -7.463 1.00 21.21 H new ATOM 0 HB2 LYS A 206 -5.662 -8.398 -9.639 1.00 15.12 H new ATOM 0 HB3 LYS A 206 -4.512 -7.301 -8.902 1.00 15.12 H new ATOM 0 HG2 LYS A 206 -2.917 -9.195 -8.597 1.00 4.01 H new ATOM 0 HG3 LYS A 206 -4.064 -10.274 -9.364 1.00 4.01 H new ATOM 0 HD2 LYS A 206 -3.981 -8.778 -11.421 1.00 40.04 H new ATOM 0 HD3 LYS A 206 -2.694 -7.876 -10.647 1.00 40.04 H new ATOM 0 HE2 LYS A 206 -1.678 -9.515 -12.114 1.00 50.14 H new ATOM 0 HE3 LYS A 206 -1.357 -9.998 -10.460 1.00 50.14 H new ATOM 0 HZ1 LYS A 206 -2.152 -11.776 -12.057 1.00 5.31 H new ATOM 0 HZ2 LYS A 206 -2.950 -11.690 -10.561 1.00 5.31 H new ATOM 0 HZ3 LYS A 206 -3.688 -11.058 -11.954 1.00 5.31 H new ATOM 991 N PRO A 207 -4.006 -9.306 -5.588 1.00 45.10 N ATOM 992 CA PRO A 207 -3.062 -9.081 -4.474 1.00 24.43 C ATOM 993 C PRO A 207 -1.680 -8.564 -4.925 1.00 2.22 C ATOM 994 O PRO A 207 -1.257 -8.775 -6.066 1.00 31.35 O ATOM 995 CB PRO A 207 -2.930 -10.471 -3.827 1.00 20.32 C ATOM 996 CG PRO A 207 -4.151 -11.213 -4.259 1.00 32.31 C ATOM 997 CD PRO A 207 -4.464 -10.708 -5.638 1.00 21.20 C ATOM 0 HA PRO A 207 -3.430 -8.307 -3.801 1.00 24.43 H new ATOM 0 HB2 PRO A 207 -2.023 -10.976 -4.158 1.00 20.32 H new ATOM 0 HB3 PRO A 207 -2.876 -10.398 -2.741 1.00 20.32 H new ATOM 0 HG2 PRO A 207 -3.974 -12.288 -4.266 1.00 32.31 H new ATOM 0 HG3 PRO A 207 -4.982 -11.031 -3.577 1.00 32.31 H new ATOM 0 HD2 PRO A 207 -3.939 -11.277 -6.405 1.00 21.20 H new ATOM 0 HD3 PRO A 207 -5.529 -10.777 -5.862 1.00 21.20 H new ATOM 1005 N ILE A 208 -0.991 -7.877 -4.012 1.00 33.23 N ATOM 1006 CA ILE A 208 0.363 -7.364 -4.256 1.00 51.11 C ATOM 1007 C ILE A 208 1.320 -7.814 -3.142 1.00 51.43 C ATOM 1008 O ILE A 208 0.994 -7.719 -1.958 1.00 62.45 O ATOM 1009 CB ILE A 208 0.382 -5.813 -4.325 1.00 3.20 C ATOM 1010 CG1 ILE A 208 -0.608 -5.299 -5.382 1.00 71.40 C ATOM 1011 CG2 ILE A 208 1.795 -5.301 -4.620 1.00 14.15 C ATOM 1012 CD1 ILE A 208 -0.697 -3.786 -5.448 1.00 34.55 C ATOM 0 H ILE A 208 -1.353 -7.660 -3.084 1.00 33.23 H new ATOM 0 HA ILE A 208 0.688 -7.768 -5.215 1.00 51.11 H new ATOM 0 HB ILE A 208 0.073 -5.429 -3.353 1.00 3.20 H new ATOM 0 HG12 ILE A 208 -0.313 -5.680 -6.360 1.00 71.40 H new ATOM 0 HG13 ILE A 208 -1.597 -5.704 -5.168 1.00 71.40 H new ATOM 0 HG21 ILE A 208 1.786 -4.212 -4.664 1.00 14.15 H new ATOM 0 HG22 ILE A 208 2.472 -5.626 -3.830 1.00 14.15 H new ATOM 0 HG23 ILE A 208 2.134 -5.700 -5.576 1.00 14.15 H new ATOM 0 HD11 ILE A 208 -1.415 -3.497 -6.216 1.00 34.55 H new ATOM 0 HD12 ILE A 208 -1.022 -3.398 -4.483 1.00 34.55 H new ATOM 0 HD13 ILE A 208 0.282 -3.374 -5.693 1.00 34.55 H new ATOM 1024 N GLY A 209 2.497 -8.307 -3.520 1.00 12.11 N ATOM 1025 CA GLY A 209 3.494 -8.707 -2.531 1.00 71.55 C ATOM 1026 C GLY A 209 4.116 -7.517 -1.802 1.00 33.33 C ATOM 1027 O GLY A 209 4.526 -6.544 -2.436 1.00 13.41 O ATOM 0 H GLY A 209 2.781 -8.438 -4.491 1.00 12.11 H new ATOM 0 HA2 GLY A 209 3.030 -9.371 -1.802 1.00 71.55 H new ATOM 0 HA3 GLY A 209 4.281 -9.276 -3.025 1.00 71.55 H new ATOM 1031 N TRP A 210 4.203 -7.599 -0.473 1.00 22.35 N ATOM 1032 CA TRP A 210 4.744 -6.506 0.347 1.00 4.33 C ATOM 1033 C TRP A 210 6.222 -6.205 0.019 1.00 41.30 C ATOM 1034 O TRP A 210 6.714 -5.102 0.274 1.00 3.05 O ATOM 1035 CB TRP A 210 4.589 -6.846 1.839 1.00 12.12 C ATOM 1036 CG TRP A 210 3.193 -6.666 2.373 1.00 14.45 C ATOM 1037 CD1 TRP A 210 2.219 -7.617 2.500 1.00 22.30 C ATOM 1038 CD2 TRP A 210 2.620 -5.446 2.864 1.00 41.42 C ATOM 1039 NE1 TRP A 210 1.084 -7.059 3.046 1.00 42.20 N ATOM 1040 CE2 TRP A 210 1.308 -5.729 3.276 1.00 2.32 C ATOM 1041 CE3 TRP A 210 3.097 -4.145 2.996 1.00 31.54 C ATOM 1042 CZ2 TRP A 210 0.468 -4.753 3.809 1.00 10.43 C ATOM 1043 CZ3 TRP A 210 2.267 -3.176 3.524 1.00 34.33 C ATOM 1044 CH2 TRP A 210 0.964 -3.485 3.928 1.00 53.33 C ATOM 0 H TRP A 210 3.905 -8.414 0.063 1.00 22.35 H new ATOM 0 HA TRP A 210 4.173 -5.607 0.114 1.00 4.33 H new ATOM 0 HB2 TRP A 210 4.896 -7.880 1.998 1.00 12.12 H new ATOM 0 HB3 TRP A 210 5.270 -6.219 2.415 1.00 12.12 H new ATOM 0 HD1 TRP A 210 2.324 -8.653 2.214 1.00 22.30 H new ATOM 0 HE1 TRP A 210 0.217 -7.557 3.246 1.00 42.20 H new ATOM 0 HE3 TRP A 210 4.102 -3.897 2.690 1.00 31.54 H new ATOM 0 HZ2 TRP A 210 -0.540 -4.990 4.117 1.00 10.43 H new ATOM 0 HZ3 TRP A 210 2.629 -2.164 3.627 1.00 34.33 H new ATOM 0 HH2 TRP A 210 0.339 -2.708 4.341 1.00 53.33 H new ATOM 1055 N ASP A 211 6.916 -7.187 -0.554 1.00 64.04 N ATOM 1056 CA ASP A 211 8.326 -7.029 -0.935 1.00 23.42 C ATOM 1057 C ASP A 211 8.484 -6.220 -2.237 1.00 12.43 C ATOM 1058 O ASP A 211 9.589 -5.815 -2.595 1.00 53.01 O ATOM 1059 CB ASP A 211 8.973 -8.407 -1.100 1.00 61.52 C ATOM 1060 CG ASP A 211 8.310 -9.219 -2.197 1.00 44.32 C ATOM 1061 OD1 ASP A 211 7.240 -9.810 -1.938 1.00 23.23 O ATOM 1062 OD2 ASP A 211 8.844 -9.255 -3.325 1.00 23.13 O ATOM 0 H ASP A 211 6.526 -8.105 -0.767 1.00 64.04 H new ATOM 0 HA ASP A 211 8.825 -6.475 -0.139 1.00 23.42 H new ATOM 0 HB2 ASP A 211 10.032 -8.285 -1.329 1.00 61.52 H new ATOM 0 HB3 ASP A 211 8.911 -8.952 -0.158 1.00 61.52 H new ATOM 1067 N THR A 212 7.379 -5.998 -2.944 1.00 14.32 N ATOM 1068 CA THR A 212 7.401 -5.260 -4.214 1.00 3.51 C ATOM 1069 C THR A 212 7.782 -3.789 -4.003 1.00 52.33 C ATOM 1070 O THR A 212 7.279 -3.135 -3.091 1.00 74.15 O ATOM 1071 CB THR A 212 6.025 -5.324 -4.924 1.00 44.34 C ATOM 1072 OG1 THR A 212 5.632 -6.692 -5.116 1.00 64.10 O ATOM 1073 CG2 THR A 212 6.061 -4.616 -6.276 1.00 32.42 C ATOM 0 H THR A 212 6.452 -6.318 -2.662 1.00 14.32 H new ATOM 0 HA THR A 212 8.154 -5.738 -4.840 1.00 3.51 H new ATOM 0 HB THR A 212 5.301 -4.816 -4.287 1.00 44.34 H new ATOM 0 HG1 THR A 212 5.174 -7.017 -4.313 1.00 64.10 H new ATOM 0 HG21 THR A 212 5.080 -4.680 -6.747 1.00 32.42 H new ATOM 0 HG22 THR A 212 6.326 -3.569 -6.131 1.00 32.42 H new ATOM 0 HG23 THR A 212 6.803 -5.093 -6.917 1.00 32.42 H new ATOM 1081 N ASP A 213 8.684 -3.277 -4.836 1.00 74.34 N ATOM 1082 CA ASP A 213 9.060 -1.861 -4.791 1.00 32.52 C ATOM 1083 C ASP A 213 7.838 -0.955 -5.019 1.00 23.15 C ATOM 1084 O ASP A 213 7.084 -1.140 -5.978 1.00 63.40 O ATOM 1085 CB ASP A 213 10.123 -1.560 -5.852 1.00 24.44 C ATOM 1086 CG ASP A 213 11.374 -2.404 -5.687 1.00 73.00 C ATOM 1087 OD1 ASP A 213 11.295 -3.636 -5.879 1.00 71.13 O ATOM 1088 OD2 ASP A 213 12.447 -1.839 -5.386 1.00 0.34 O ATOM 0 H ASP A 213 9.170 -3.819 -5.551 1.00 74.34 H new ATOM 0 HA ASP A 213 9.466 -1.656 -3.800 1.00 32.52 H new ATOM 0 HB2 ASP A 213 9.701 -1.734 -6.842 1.00 24.44 H new ATOM 0 HB3 ASP A 213 10.393 -0.505 -5.801 1.00 24.44 H new ATOM 1093 N ILE A 214 7.656 0.036 -4.149 1.00 22.23 N ATOM 1094 CA ILE A 214 6.524 0.968 -4.260 1.00 20.40 C ATOM 1095 C ILE A 214 6.554 1.733 -5.602 1.00 11.05 C ATOM 1096 O ILE A 214 5.528 2.217 -6.084 1.00 23.23 O ATOM 1097 CB ILE A 214 6.509 1.970 -3.071 1.00 34.14 C ATOM 1098 CG1 ILE A 214 5.234 2.835 -3.088 1.00 24.21 C ATOM 1099 CG2 ILE A 214 7.759 2.848 -3.083 1.00 22.55 C ATOM 1100 CD1 ILE A 214 3.953 2.042 -2.912 1.00 35.05 C ATOM 0 H ILE A 214 8.274 0.219 -3.358 1.00 22.23 H new ATOM 0 HA ILE A 214 5.610 0.375 -4.227 1.00 20.40 H new ATOM 0 HB ILE A 214 6.508 1.391 -2.148 1.00 34.14 H new ATOM 0 HG12 ILE A 214 5.301 3.580 -2.295 1.00 24.21 H new ATOM 0 HG13 ILE A 214 5.187 3.378 -4.032 1.00 24.21 H new ATOM 0 HG21 ILE A 214 7.725 3.540 -2.242 1.00 22.55 H new ATOM 0 HG22 ILE A 214 8.646 2.220 -3.000 1.00 22.55 H new ATOM 0 HG23 ILE A 214 7.799 3.411 -4.015 1.00 22.55 H new ATOM 0 HD11 ILE A 214 3.100 2.720 -2.935 1.00 35.05 H new ATOM 0 HD12 ILE A 214 3.861 1.315 -3.719 1.00 35.05 H new ATOM 0 HD13 ILE A 214 3.977 1.520 -1.955 1.00 35.05 H new ATOM 1112 N SER A 215 7.741 1.798 -6.215 1.00 4.44 N ATOM 1113 CA SER A 215 7.928 2.463 -7.516 1.00 25.34 C ATOM 1114 C SER A 215 7.086 1.802 -8.624 1.00 64.03 C ATOM 1115 O SER A 215 6.732 2.440 -9.616 1.00 30.51 O ATOM 1116 CB SER A 215 9.409 2.437 -7.923 1.00 64.20 C ATOM 1117 OG SER A 215 9.864 1.106 -8.132 1.00 65.21 O ATOM 0 H SER A 215 8.595 1.395 -5.830 1.00 4.44 H new ATOM 0 HA SER A 215 7.594 3.494 -7.400 1.00 25.34 H new ATOM 0 HB2 SER A 215 9.548 3.019 -8.834 1.00 64.20 H new ATOM 0 HB3 SER A 215 10.010 2.911 -7.147 1.00 64.20 H new ATOM 0 HG SER A 215 10.809 1.120 -8.392 1.00 65.21 H new ATOM 1123 N TRP A 216 6.776 0.518 -8.452 1.00 33.14 N ATOM 1124 CA TRP A 216 5.948 -0.226 -9.415 1.00 33.33 C ATOM 1125 C TRP A 216 4.504 0.299 -9.452 1.00 22.44 C ATOM 1126 O TRP A 216 3.797 0.153 -10.453 1.00 11.33 O ATOM 1127 CB TRP A 216 5.929 -1.719 -9.054 1.00 32.23 C ATOM 1128 CG TRP A 216 7.230 -2.428 -9.291 1.00 65.42 C ATOM 1129 CD1 TRP A 216 8.481 -1.999 -8.950 1.00 35.13 C ATOM 1130 CD2 TRP A 216 7.400 -3.710 -9.908 1.00 15.14 C ATOM 1131 NE1 TRP A 216 9.418 -2.930 -9.330 1.00 14.44 N ATOM 1132 CE2 TRP A 216 8.777 -3.992 -9.919 1.00 4.13 C ATOM 1133 CE3 TRP A 216 6.516 -4.643 -10.458 1.00 12.54 C ATOM 1134 CZ2 TRP A 216 9.291 -5.171 -10.452 1.00 21.53 C ATOM 1135 CZ3 TRP A 216 7.026 -5.812 -10.988 1.00 33.54 C ATOM 1136 CH2 TRP A 216 8.402 -6.067 -10.982 1.00 61.51 C ATOM 0 H TRP A 216 7.085 -0.036 -7.653 1.00 33.14 H new ATOM 0 HA TRP A 216 6.392 -0.084 -10.400 1.00 33.33 H new ATOM 0 HB2 TRP A 216 5.658 -1.823 -8.003 1.00 32.23 H new ATOM 0 HB3 TRP A 216 5.149 -2.211 -9.635 1.00 32.23 H new ATOM 0 HD1 TRP A 216 8.702 -1.065 -8.454 1.00 35.13 H new ATOM 0 HE1 TRP A 216 10.426 -2.846 -9.196 1.00 14.44 H new ATOM 0 HE3 TRP A 216 5.453 -4.453 -10.468 1.00 12.54 H new ATOM 0 HZ2 TRP A 216 10.352 -5.371 -10.447 1.00 21.53 H new ATOM 0 HZ3 TRP A 216 6.352 -6.541 -11.414 1.00 33.54 H new ATOM 0 HH2 TRP A 216 8.770 -6.990 -11.404 1.00 61.51 H new ATOM 1147 N LEU A 217 4.078 0.915 -8.351 1.00 74.33 N ATOM 1148 CA LEU A 217 2.687 1.349 -8.177 1.00 61.05 C ATOM 1149 C LEU A 217 2.554 2.880 -8.293 1.00 73.12 C ATOM 1150 O LEU A 217 1.578 3.473 -7.831 1.00 54.05 O ATOM 1151 CB LEU A 217 2.196 0.856 -6.808 1.00 3.12 C ATOM 1152 CG LEU A 217 2.407 -0.653 -6.563 1.00 41.04 C ATOM 1153 CD1 LEU A 217 2.069 -1.034 -5.125 1.00 43.21 C ATOM 1154 CD2 LEU A 217 1.585 -1.482 -7.549 1.00 72.10 C ATOM 0 H LEU A 217 4.681 1.128 -7.556 1.00 74.33 H new ATOM 0 HA LEU A 217 2.072 0.921 -8.969 1.00 61.05 H new ATOM 0 HB2 LEU A 217 2.712 1.415 -6.027 1.00 3.12 H new ATOM 0 HB3 LEU A 217 1.134 1.083 -6.713 1.00 3.12 H new ATOM 0 HG LEU A 217 3.462 -0.872 -6.726 1.00 41.04 H new ATOM 0 HD11 LEU A 217 2.228 -2.103 -4.985 1.00 43.21 H new ATOM 0 HD12 LEU A 217 2.711 -0.479 -4.441 1.00 43.21 H new ATOM 0 HD13 LEU A 217 1.026 -0.792 -4.920 1.00 43.21 H new ATOM 0 HD21 LEU A 217 1.749 -2.543 -7.358 1.00 72.10 H new ATOM 0 HD22 LEU A 217 0.527 -1.250 -7.426 1.00 72.10 H new ATOM 0 HD23 LEU A 217 1.892 -1.245 -8.568 1.00 72.10 H new ATOM 1166 N THR A 218 3.534 3.505 -8.942 1.00 50.35 N ATOM 1167 CA THR A 218 3.567 4.967 -9.106 1.00 34.43 C ATOM 1168 C THR A 218 2.307 5.518 -9.794 1.00 20.14 C ATOM 1169 O THR A 218 2.068 5.266 -10.975 1.00 41.41 O ATOM 1170 CB THR A 218 4.807 5.410 -9.926 1.00 14.30 C ATOM 1171 OG1 THR A 218 6.013 5.051 -9.236 1.00 51.14 O ATOM 1172 CG2 THR A 218 4.802 6.915 -10.185 1.00 71.33 C ATOM 0 H THR A 218 4.325 3.022 -9.368 1.00 50.35 H new ATOM 0 HA THR A 218 3.617 5.375 -8.097 1.00 34.43 H new ATOM 0 HB THR A 218 4.764 4.896 -10.886 1.00 14.30 H new ATOM 0 HG1 THR A 218 6.228 4.113 -9.420 1.00 51.14 H new ATOM 0 HG21 THR A 218 5.686 7.188 -10.762 1.00 71.33 H new ATOM 0 HG22 THR A 218 3.906 7.185 -10.744 1.00 71.33 H new ATOM 0 HG23 THR A 218 4.811 7.448 -9.234 1.00 71.33 H new ATOM 1180 N GLY A 219 1.505 6.269 -9.045 1.00 11.13 N ATOM 1181 CA GLY A 219 0.374 6.985 -9.629 1.00 24.12 C ATOM 1182 C GLY A 219 -0.906 6.163 -9.779 1.00 33.21 C ATOM 1183 O GLY A 219 -1.836 6.596 -10.465 1.00 11.50 O ATOM 0 H GLY A 219 1.615 6.398 -8.039 1.00 11.13 H new ATOM 0 HA2 GLY A 219 0.157 7.856 -9.011 1.00 24.12 H new ATOM 0 HA3 GLY A 219 0.667 7.356 -10.611 1.00 24.12 H new ATOM 1187 N GLU A 220 -0.975 4.988 -9.155 1.00 52.43 N ATOM 1188 CA GLU A 220 -2.205 4.180 -9.186 1.00 15.10 C ATOM 1189 C GLU A 220 -2.837 4.051 -7.790 1.00 23.04 C ATOM 1190 O GLU A 220 -2.257 4.479 -6.787 1.00 21.32 O ATOM 1191 CB GLU A 220 -1.942 2.787 -9.782 1.00 44.23 C ATOM 1192 CG GLU A 220 -0.990 1.916 -8.970 1.00 45.31 C ATOM 1193 CD GLU A 220 -0.823 0.527 -9.569 1.00 13.05 C ATOM 1194 OE1 GLU A 220 -0.151 0.401 -10.616 1.00 31.35 O ATOM 1195 OE2 GLU A 220 -1.387 -0.442 -9.021 1.00 11.03 O ATOM 0 H GLU A 220 -0.207 4.574 -8.627 1.00 52.43 H new ATOM 0 HA GLU A 220 -2.913 4.704 -9.829 1.00 15.10 H new ATOM 0 HB2 GLU A 220 -2.893 2.265 -9.884 1.00 44.23 H new ATOM 0 HB3 GLU A 220 -1.536 2.907 -10.786 1.00 44.23 H new ATOM 0 HG2 GLU A 220 -0.017 2.403 -8.911 1.00 45.31 H new ATOM 0 HG3 GLU A 220 -1.364 1.827 -7.950 1.00 45.31 H new ATOM 1202 N GLU A 221 -4.039 3.474 -7.741 1.00 22.32 N ATOM 1203 CA GLU A 221 -4.787 3.324 -6.486 1.00 4.15 C ATOM 1204 C GLU A 221 -4.576 1.933 -5.865 1.00 42.23 C ATOM 1205 O GLU A 221 -4.655 0.915 -6.554 1.00 75.23 O ATOM 1206 CB GLU A 221 -6.292 3.543 -6.727 1.00 14.52 C ATOM 1207 CG GLU A 221 -6.652 4.876 -7.386 1.00 0.04 C ATOM 1208 CD GLU A 221 -6.231 4.962 -8.846 1.00 51.52 C ATOM 1209 OE1 GLU A 221 -6.387 3.957 -9.578 1.00 35.41 O ATOM 1210 OE2 GLU A 221 -5.737 6.028 -9.271 1.00 20.42 O ATOM 0 H GLU A 221 -4.520 3.100 -8.559 1.00 22.32 H new ATOM 0 HA GLU A 221 -4.410 4.077 -5.794 1.00 4.15 H new ATOM 0 HB2 GLU A 221 -6.667 2.733 -7.352 1.00 14.52 H new ATOM 0 HB3 GLU A 221 -6.812 3.475 -5.771 1.00 14.52 H new ATOM 0 HG2 GLU A 221 -7.729 5.028 -7.317 1.00 0.04 H new ATOM 0 HG3 GLU A 221 -6.179 5.686 -6.831 1.00 0.04 H new ATOM 1217 N LEU A 222 -4.324 1.898 -4.561 1.00 23.12 N ATOM 1218 CA LEU A 222 -4.140 0.639 -3.830 1.00 12.45 C ATOM 1219 C LEU A 222 -5.209 0.479 -2.743 1.00 3.22 C ATOM 1220 O LEU A 222 -5.627 1.454 -2.126 1.00 22.43 O ATOM 1221 CB LEU A 222 -2.748 0.597 -3.179 1.00 45.24 C ATOM 1222 CG LEU A 222 -1.565 0.845 -4.126 1.00 3.52 C ATOM 1223 CD1 LEU A 222 -0.252 0.816 -3.351 1.00 54.22 C ATOM 1224 CD2 LEU A 222 -1.552 -0.178 -5.262 1.00 12.03 C ATOM 0 H LEU A 222 -4.241 2.732 -3.980 1.00 23.12 H new ATOM 0 HA LEU A 222 -4.233 -0.179 -4.544 1.00 12.45 H new ATOM 0 HB2 LEU A 222 -2.716 1.342 -2.384 1.00 45.24 H new ATOM 0 HB3 LEU A 222 -2.616 -0.377 -2.709 1.00 45.24 H new ATOM 0 HG LEU A 222 -1.680 1.834 -4.570 1.00 3.52 H new ATOM 0 HD11 LEU A 222 0.578 0.993 -4.035 1.00 54.22 H new ATOM 0 HD12 LEU A 222 -0.264 1.592 -2.586 1.00 54.22 H new ATOM 0 HD13 LEU A 222 -0.130 -0.158 -2.878 1.00 54.22 H new ATOM 0 HD21 LEU A 222 -0.705 0.019 -5.919 1.00 12.03 H new ATOM 0 HD22 LEU A 222 -1.464 -1.182 -4.847 1.00 12.03 H new ATOM 0 HD23 LEU A 222 -2.478 -0.101 -5.831 1.00 12.03 H new ATOM 1236 N HIS A 223 -5.650 -0.750 -2.510 1.00 1.55 N ATOM 1237 CA HIS A 223 -6.589 -1.038 -1.422 1.00 1.11 C ATOM 1238 C HIS A 223 -5.930 -1.944 -0.373 1.00 52.53 C ATOM 1239 O HIS A 223 -5.552 -3.077 -0.670 1.00 55.02 O ATOM 1240 CB HIS A 223 -7.864 -1.690 -1.972 1.00 43.41 C ATOM 1241 CG HIS A 223 -8.704 -0.774 -2.811 1.00 53.23 C ATOM 1242 ND1 HIS A 223 -9.870 -0.203 -2.354 1.00 34.34 N ATOM 1243 CD2 HIS A 223 -8.556 -0.343 -4.088 1.00 63.22 C ATOM 1244 CE1 HIS A 223 -10.403 0.535 -3.307 1.00 14.33 C ATOM 1245 NE2 HIS A 223 -9.627 0.469 -4.368 1.00 3.13 N ATOM 0 H HIS A 223 -5.376 -1.566 -3.057 1.00 1.55 H new ATOM 0 HA HIS A 223 -6.863 -0.098 -0.943 1.00 1.11 H new ATOM 0 HB2 HIS A 223 -7.587 -2.560 -2.568 1.00 43.41 H new ATOM 0 HB3 HIS A 223 -8.463 -2.053 -1.137 1.00 43.41 H new ATOM 0 HD2 HIS A 223 -7.747 -0.592 -4.759 1.00 63.22 H new ATOM 0 HE1 HIS A 223 -11.321 1.099 -3.230 1.00 14.33 H new ATOM 0 HE2 HIS A 223 -9.794 0.944 -5.255 1.00 3.13 H new ATOM 1254 N VAL A 224 -5.773 -1.430 0.843 1.00 23.10 N ATOM 1255 CA VAL A 224 -5.122 -2.172 1.929 1.00 30.31 C ATOM 1256 C VAL A 224 -6.103 -2.467 3.072 1.00 24.44 C ATOM 1257 O VAL A 224 -6.757 -1.564 3.591 1.00 1.40 O ATOM 1258 CB VAL A 224 -3.910 -1.387 2.496 1.00 73.23 C ATOM 1259 CG1 VAL A 224 -3.197 -2.186 3.588 1.00 4.24 C ATOM 1260 CG2 VAL A 224 -2.941 -1.012 1.375 1.00 20.43 C ATOM 0 H VAL A 224 -6.089 -0.497 1.107 1.00 23.10 H new ATOM 0 HA VAL A 224 -4.775 -3.114 1.504 1.00 30.31 H new ATOM 0 HB VAL A 224 -4.284 -0.468 2.948 1.00 73.23 H new ATOM 0 HG11 VAL A 224 -2.352 -1.611 3.967 1.00 4.24 H new ATOM 0 HG12 VAL A 224 -3.892 -2.389 4.403 1.00 4.24 H new ATOM 0 HG13 VAL A 224 -2.838 -3.128 3.174 1.00 4.24 H new ATOM 0 HG21 VAL A 224 -2.097 -0.462 1.792 1.00 20.43 H new ATOM 0 HG22 VAL A 224 -2.579 -1.918 0.889 1.00 20.43 H new ATOM 0 HG23 VAL A 224 -3.455 -0.388 0.643 1.00 20.43 H new ATOM 1270 N GLU A 225 -6.200 -3.735 3.461 1.00 70.01 N ATOM 1271 CA GLU A 225 -7.061 -4.138 4.580 1.00 22.42 C ATOM 1272 C GLU A 225 -6.289 -4.974 5.608 1.00 21.43 C ATOM 1273 O GLU A 225 -5.230 -5.527 5.309 1.00 15.20 O ATOM 1274 CB GLU A 225 -8.282 -4.918 4.071 1.00 63.14 C ATOM 1275 CG GLU A 225 -7.946 -6.187 3.294 1.00 12.31 C ATOM 1276 CD GLU A 225 -9.192 -6.944 2.862 1.00 44.20 C ATOM 1277 OE1 GLU A 225 -9.877 -6.486 1.922 1.00 1.40 O ATOM 1278 OE2 GLU A 225 -9.498 -7.999 3.462 1.00 54.44 O ATOM 0 H GLU A 225 -5.695 -4.504 3.021 1.00 70.01 H new ATOM 0 HA GLU A 225 -7.405 -3.229 5.074 1.00 22.42 H new ATOM 0 HB2 GLU A 225 -8.908 -5.184 4.923 1.00 63.14 H new ATOM 0 HB3 GLU A 225 -8.875 -4.263 3.433 1.00 63.14 H new ATOM 0 HG2 GLU A 225 -7.358 -5.927 2.414 1.00 12.31 H new ATOM 0 HG3 GLU A 225 -7.325 -6.836 3.912 1.00 12.31 H new ATOM 1285 N VAL A 226 -6.828 -5.065 6.820 1.00 23.42 N ATOM 1286 CA VAL A 226 -6.155 -5.766 7.916 1.00 30.31 C ATOM 1287 C VAL A 226 -6.553 -7.250 7.967 1.00 44.33 C ATOM 1288 O VAL A 226 -7.722 -7.602 7.792 1.00 5.04 O ATOM 1289 CB VAL A 226 -6.476 -5.100 9.280 1.00 1.32 C ATOM 1290 CG1 VAL A 226 -5.594 -5.667 10.389 1.00 50.24 C ATOM 1291 CG2 VAL A 226 -6.329 -3.583 9.190 1.00 61.22 C ATOM 0 H VAL A 226 -7.731 -4.662 7.071 1.00 23.42 H new ATOM 0 HA VAL A 226 -5.084 -5.699 7.726 1.00 30.31 H new ATOM 0 HB VAL A 226 -7.513 -5.327 9.529 1.00 1.32 H new ATOM 0 HG11 VAL A 226 -5.841 -5.182 11.334 1.00 50.24 H new ATOM 0 HG12 VAL A 226 -5.764 -6.740 10.477 1.00 50.24 H new ATOM 0 HG13 VAL A 226 -4.546 -5.484 10.150 1.00 50.24 H new ATOM 0 HG21 VAL A 226 -6.559 -3.137 10.158 1.00 61.22 H new ATOM 0 HG22 VAL A 226 -5.306 -3.333 8.909 1.00 61.22 H new ATOM 0 HG23 VAL A 226 -7.017 -3.195 8.439 1.00 61.22 H new ATOM 1301 N LEU A 227 -5.572 -8.119 8.208 1.00 61.44 N ATOM 1302 CA LEU A 227 -5.813 -9.566 8.294 1.00 2.32 C ATOM 1303 C LEU A 227 -6.213 -9.984 9.718 1.00 40.24 C ATOM 1304 O LEU A 227 -7.325 -10.462 9.950 1.00 42.14 O ATOM 1305 CB LEU A 227 -4.562 -10.341 7.851 1.00 3.31 C ATOM 1306 CG LEU A 227 -4.087 -10.062 6.414 1.00 4.42 C ATOM 1307 CD1 LEU A 227 -2.811 -10.844 6.104 1.00 25.54 C ATOM 1308 CD2 LEU A 227 -5.189 -10.398 5.405 1.00 52.41 C ATOM 0 H LEU A 227 -4.598 -7.849 8.348 1.00 61.44 H new ATOM 0 HA LEU A 227 -6.640 -9.806 7.626 1.00 2.32 H new ATOM 0 HB2 LEU A 227 -3.748 -10.106 8.537 1.00 3.31 H new ATOM 0 HB3 LEU A 227 -4.763 -11.408 7.948 1.00 3.31 H new ATOM 0 HG LEU A 227 -3.862 -8.999 6.330 1.00 4.42 H new ATOM 0 HD11 LEU A 227 -2.493 -10.632 5.083 1.00 25.54 H new ATOM 0 HD12 LEU A 227 -2.025 -10.547 6.798 1.00 25.54 H new ATOM 0 HD13 LEU A 227 -3.004 -11.912 6.209 1.00 25.54 H new ATOM 0 HD21 LEU A 227 -4.833 -10.194 4.395 1.00 52.41 H new ATOM 0 HD22 LEU A 227 -5.451 -11.452 5.491 1.00 52.41 H new ATOM 0 HD23 LEU A 227 -6.068 -9.787 5.610 1.00 52.41 H new