USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.3!) USER MOD Single : A 164 LYS NZ :NH3+ -170:sc= -0.0174 (180deg=-0.164) USER MOD Single : A 165 GLN : amide:sc= -0.502 K(o=-0.5,f=-3.2!) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -80:sc= 1.43 USER MOD Single : A 180 SER OG : rot 120:sc=-0.00387 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 141:sc= -0.0136 (180deg=-0.826) USER MOD Single : A 194 CYS SG : rot -39:sc= 0.078 USER MOD Single : A 195 CYS SG : rot 82:sc= -0.0244 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN :FLIP amide:sc= -1.09 F(o=-2!,f=-1.1) USER MOD Single : A 205 LYS NZ :NH3+ 169:sc=-0.00491 (180deg=-0.118) USER MOD Single : A 206 LYS NZ :NH3+ -173:sc= -0.395 (180deg=-0.483) USER MOD Single : A 212 THR OG1 : rot 85:sc= 0.858 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 87:sc= 0.947 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.085 15.184 -7.193 1.00 53.11 N ATOM 115 CA LYS A 154 7.442 13.824 -6.761 1.00 21.12 C ATOM 116 C LYS A 154 6.342 12.809 -7.126 1.00 62.11 C ATOM 117 O LYS A 154 5.149 13.091 -6.977 1.00 1.55 O ATOM 118 CB LYS A 154 7.702 13.775 -5.241 1.00 73.52 C ATOM 119 CG LYS A 154 9.030 14.398 -4.799 1.00 61.00 C ATOM 120 CD LYS A 154 9.055 15.920 -4.939 1.00 3.42 C ATOM 121 CE LYS A 154 8.012 16.598 -4.055 1.00 0.04 C ATOM 122 NZ LYS A 154 8.157 18.078 -4.059 1.00 50.35 N ATOM 0 HA LYS A 154 8.356 13.553 -7.288 1.00 21.12 H new ATOM 0 HB2 LYS A 154 6.887 14.288 -4.730 1.00 73.52 H new ATOM 0 HB3 LYS A 154 7.678 12.735 -4.915 1.00 73.52 H new ATOM 0 HG2 LYS A 154 9.221 14.132 -3.759 1.00 61.00 H new ATOM 0 HG3 LYS A 154 9.839 13.971 -5.391 1.00 61.00 H new ATOM 0 HD2 LYS A 154 10.046 16.291 -4.678 1.00 3.42 H new ATOM 0 HD3 LYS A 154 8.877 16.190 -5.980 1.00 3.42 H new ATOM 0 HE2 LYS A 154 7.014 16.330 -4.401 1.00 0.04 H new ATOM 0 HE3 LYS A 154 8.105 16.227 -3.034 1.00 0.04 H new ATOM 0 HZ1 LYS A 154 7.430 18.500 -3.447 1.00 50.35 H new ATOM 0 HZ2 LYS A 154 9.100 18.335 -3.704 1.00 50.35 H new ATOM 0 HZ3 LYS A 154 8.042 18.435 -5.029 1.00 50.35 H new ATOM 136 N PRO A 155 6.730 11.610 -7.610 1.00 73.15 N ATOM 137 CA PRO A 155 5.769 10.541 -7.940 1.00 75.04 C ATOM 138 C PRO A 155 5.063 9.993 -6.687 1.00 50.31 C ATOM 139 O PRO A 155 5.712 9.619 -5.709 1.00 23.10 O ATOM 140 CB PRO A 155 6.647 9.459 -8.590 1.00 75.31 C ATOM 141 CG PRO A 155 8.014 9.704 -8.044 1.00 1.11 C ATOM 142 CD PRO A 155 8.124 11.195 -7.873 1.00 5.24 C ATOM 0 HA PRO A 155 4.966 10.893 -8.587 1.00 75.04 H new ATOM 0 HB2 PRO A 155 6.294 8.459 -8.340 1.00 75.31 H new ATOM 0 HB3 PRO A 155 6.634 9.539 -9.677 1.00 75.31 H new ATOM 0 HG2 PRO A 155 8.154 9.190 -7.093 1.00 1.11 H new ATOM 0 HG3 PRO A 155 8.780 9.330 -8.724 1.00 1.11 H new ATOM 0 HD2 PRO A 155 8.785 11.458 -7.047 1.00 5.24 H new ATOM 0 HD3 PRO A 155 8.525 11.674 -8.766 1.00 5.24 H new ATOM 150 N ILE A 156 3.731 9.940 -6.718 1.00 65.34 N ATOM 151 CA ILE A 156 2.950 9.518 -5.548 1.00 33.41 C ATOM 152 C ILE A 156 2.003 8.346 -5.856 1.00 51.35 C ATOM 153 O ILE A 156 1.624 8.108 -7.005 1.00 53.52 O ATOM 154 CB ILE A 156 2.141 10.708 -4.949 1.00 43.42 C ATOM 155 CG1 ILE A 156 1.173 11.330 -5.985 1.00 12.32 C ATOM 156 CG2 ILE A 156 3.088 11.773 -4.392 1.00 13.32 C ATOM 157 CD1 ILE A 156 -0.195 10.669 -6.053 1.00 32.33 C ATOM 0 H ILE A 156 3.170 10.182 -7.535 1.00 65.34 H new ATOM 0 HA ILE A 156 3.675 9.171 -4.812 1.00 33.41 H new ATOM 0 HB ILE A 156 1.535 10.313 -4.134 1.00 43.42 H new ATOM 0 HG12 ILE A 156 1.040 12.386 -5.750 1.00 12.32 H new ATOM 0 HG13 ILE A 156 1.636 11.279 -6.971 1.00 12.32 H new ATOM 0 HG21 ILE A 156 2.506 12.596 -3.978 1.00 13.32 H new ATOM 0 HG22 ILE A 156 3.707 11.336 -3.608 1.00 13.32 H new ATOM 0 HG23 ILE A 156 3.727 12.147 -5.192 1.00 13.32 H new ATOM 0 HD11 ILE A 156 -0.804 11.170 -6.805 1.00 32.33 H new ATOM 0 HD12 ILE A 156 -0.079 9.619 -6.321 1.00 32.33 H new ATOM 0 HD13 ILE A 156 -0.684 10.743 -5.081 1.00 32.33 H new ATOM 169 N VAL A 157 1.635 7.617 -4.805 1.00 44.20 N ATOM 170 CA VAL A 157 0.668 6.516 -4.892 1.00 3.21 C ATOM 171 C VAL A 157 -0.471 6.729 -3.881 1.00 3.32 C ATOM 172 O VAL A 157 -0.225 7.079 -2.724 1.00 42.02 O ATOM 173 CB VAL A 157 1.348 5.145 -4.619 1.00 74.14 C ATOM 174 CG1 VAL A 157 0.336 4.000 -4.710 1.00 44.11 C ATOM 175 CG2 VAL A 157 2.515 4.914 -5.580 1.00 54.01 C ATOM 0 H VAL A 157 1.998 7.771 -3.864 1.00 44.20 H new ATOM 0 HA VAL A 157 0.265 6.509 -5.905 1.00 3.21 H new ATOM 0 HB VAL A 157 1.743 5.165 -3.603 1.00 74.14 H new ATOM 0 HG11 VAL A 157 0.839 3.053 -4.515 1.00 44.11 H new ATOM 0 HG12 VAL A 157 -0.452 4.151 -3.972 1.00 44.11 H new ATOM 0 HG13 VAL A 157 -0.101 3.979 -5.708 1.00 44.11 H new ATOM 0 HG21 VAL A 157 2.974 3.948 -5.369 1.00 54.01 H new ATOM 0 HG22 VAL A 157 2.149 4.925 -6.607 1.00 54.01 H new ATOM 0 HG23 VAL A 157 3.255 5.704 -5.450 1.00 54.01 H new ATOM 185 N ARG A 158 -1.713 6.519 -4.314 1.00 54.32 N ATOM 186 CA ARG A 158 -2.878 6.730 -3.442 1.00 21.54 C ATOM 187 C ARG A 158 -3.236 5.441 -2.689 1.00 62.21 C ATOM 188 O ARG A 158 -3.885 4.550 -3.234 1.00 32.13 O ATOM 189 CB ARG A 158 -4.079 7.215 -4.267 1.00 5.04 C ATOM 190 CG ARG A 158 -3.779 8.443 -5.121 1.00 2.43 C ATOM 191 CD ARG A 158 -4.981 8.851 -5.963 1.00 71.12 C ATOM 192 NE ARG A 158 -4.625 9.814 -7.003 1.00 75.13 N ATOM 193 CZ ARG A 158 -4.909 9.661 -8.270 1.00 24.34 C ATOM 194 NH1 ARG A 158 -5.602 8.642 -8.675 1.00 12.12 N ATOM 195 NH2 ARG A 158 -4.516 10.545 -9.128 1.00 43.12 N ATOM 0 H ARG A 158 -1.943 6.205 -5.257 1.00 54.32 H new ATOM 0 HA ARG A 158 -2.622 7.495 -2.709 1.00 21.54 H new ATOM 0 HB2 ARG A 158 -4.414 6.405 -4.915 1.00 5.04 H new ATOM 0 HB3 ARG A 158 -4.903 7.445 -3.592 1.00 5.04 H new ATOM 0 HG2 ARG A 158 -3.488 9.272 -4.476 1.00 2.43 H new ATOM 0 HG3 ARG A 158 -2.931 8.234 -5.774 1.00 2.43 H new ATOM 0 HD2 ARG A 158 -5.417 7.965 -6.425 1.00 71.12 H new ATOM 0 HD3 ARG A 158 -5.745 9.283 -5.317 1.00 71.12 H new ATOM 0 HE ARG A 158 -4.124 10.657 -6.723 1.00 75.13 H new ATOM 0 HH11 ARG A 158 -5.932 7.950 -8.002 1.00 12.12 H new ATOM 0 HH12 ARG A 158 -5.817 8.533 -9.666 1.00 12.12 H new ATOM 0 HH21 ARG A 158 -3.986 11.359 -8.816 1.00 43.12 H new ATOM 0 HH22 ARG A 158 -4.736 10.429 -10.117 1.00 43.12 H new ATOM 209 N VAL A 159 -2.794 5.341 -1.440 1.00 71.15 N ATOM 210 CA VAL A 159 -3.020 4.138 -0.633 1.00 74.51 C ATOM 211 C VAL A 159 -4.245 4.288 0.286 1.00 22.32 C ATOM 212 O VAL A 159 -4.223 5.034 1.267 1.00 33.55 O ATOM 213 CB VAL A 159 -1.771 3.799 0.220 1.00 41.43 C ATOM 214 CG1 VAL A 159 -2.004 2.542 1.058 1.00 42.53 C ATOM 215 CG2 VAL A 159 -0.538 3.640 -0.673 1.00 30.53 C ATOM 0 H VAL A 159 -2.276 6.077 -0.960 1.00 71.15 H new ATOM 0 HA VAL A 159 -3.211 3.322 -1.330 1.00 74.51 H new ATOM 0 HB VAL A 159 -1.592 4.627 0.906 1.00 41.43 H new ATOM 0 HG11 VAL A 159 -1.112 2.327 1.647 1.00 42.53 H new ATOM 0 HG12 VAL A 159 -2.850 2.702 1.726 1.00 42.53 H new ATOM 0 HG13 VAL A 159 -2.216 1.700 0.399 1.00 42.53 H new ATOM 0 HG21 VAL A 159 0.329 3.402 -0.057 1.00 30.53 H new ATOM 0 HG22 VAL A 159 -0.708 2.834 -1.387 1.00 30.53 H new ATOM 0 HG23 VAL A 159 -0.356 4.570 -1.212 1.00 30.53 H new ATOM 225 N PHE A 160 -5.321 3.582 -0.049 1.00 64.32 N ATOM 226 CA PHE A 160 -6.527 3.561 0.782 1.00 61.04 C ATOM 227 C PHE A 160 -6.326 2.661 2.011 1.00 63.23 C ATOM 228 O PHE A 160 -6.336 1.435 1.908 1.00 41.54 O ATOM 229 CB PHE A 160 -7.735 3.093 -0.042 1.00 55.42 C ATOM 230 CG PHE A 160 -8.161 4.080 -1.108 1.00 23.40 C ATOM 231 CD1 PHE A 160 -7.491 4.153 -2.325 1.00 64.10 C ATOM 232 CD2 PHE A 160 -9.223 4.947 -0.885 1.00 43.33 C ATOM 233 CE1 PHE A 160 -7.879 5.061 -3.294 1.00 33.44 C ATOM 234 CE2 PHE A 160 -9.609 5.858 -1.852 1.00 14.15 C ATOM 235 CZ PHE A 160 -8.936 5.916 -3.055 1.00 23.52 C ATOM 0 H PHE A 160 -5.385 3.014 -0.893 1.00 64.32 H new ATOM 0 HA PHE A 160 -6.721 4.574 1.134 1.00 61.04 H new ATOM 0 HB2 PHE A 160 -7.494 2.141 -0.515 1.00 55.42 H new ATOM 0 HB3 PHE A 160 -8.574 2.912 0.630 1.00 55.42 H new ATOM 0 HD1 PHE A 160 -6.658 3.493 -2.516 1.00 64.10 H new ATOM 0 HD2 PHE A 160 -9.754 4.910 0.055 1.00 43.33 H new ATOM 0 HE1 PHE A 160 -7.355 5.101 -4.237 1.00 33.44 H new ATOM 0 HE2 PHE A 160 -10.438 6.524 -1.665 1.00 14.15 H new ATOM 0 HZ PHE A 160 -9.236 6.629 -3.809 1.00 23.52 H new ATOM 245 N LEU A 161 -6.123 3.289 3.164 1.00 31.31 N ATOM 246 CA LEU A 161 -5.859 2.570 4.417 1.00 12.50 C ATOM 247 C LEU A 161 -7.113 1.845 4.951 1.00 13.21 C ATOM 248 O LEU A 161 -8.245 2.214 4.621 1.00 4.34 O ATOM 249 CB LEU A 161 -5.338 3.552 5.478 1.00 44.13 C ATOM 250 CG LEU A 161 -4.005 4.240 5.145 1.00 74.35 C ATOM 251 CD1 LEU A 161 -3.622 5.236 6.237 1.00 72.23 C ATOM 252 CD2 LEU A 161 -2.891 3.210 4.945 1.00 50.22 C ATOM 0 H LEU A 161 -6.135 4.304 3.262 1.00 31.31 H new ATOM 0 HA LEU A 161 -5.106 1.810 4.206 1.00 12.50 H new ATOM 0 HB2 LEU A 161 -6.094 4.321 5.638 1.00 44.13 H new ATOM 0 HB3 LEU A 161 -5.225 3.015 6.420 1.00 44.13 H new ATOM 0 HG LEU A 161 -4.135 4.786 4.211 1.00 74.35 H new ATOM 0 HD11 LEU A 161 -2.675 5.711 5.980 1.00 72.23 H new ATOM 0 HD12 LEU A 161 -4.398 5.997 6.324 1.00 72.23 H new ATOM 0 HD13 LEU A 161 -3.519 4.712 7.187 1.00 72.23 H new ATOM 0 HD21 LEU A 161 -1.959 3.723 4.710 1.00 50.22 H new ATOM 0 HD22 LEU A 161 -2.765 2.628 5.858 1.00 50.22 H new ATOM 0 HD23 LEU A 161 -3.155 2.544 4.124 1.00 50.22 H new ATOM 264 N PRO A 162 -6.926 0.808 5.799 1.00 61.35 N ATOM 265 CA PRO A 162 -8.046 0.062 6.404 1.00 43.12 C ATOM 266 C PRO A 162 -9.046 0.976 7.139 1.00 1.10 C ATOM 267 O PRO A 162 -8.716 2.110 7.507 1.00 34.33 O ATOM 268 CB PRO A 162 -7.357 -0.909 7.387 1.00 54.12 C ATOM 269 CG PRO A 162 -5.956 -0.408 7.528 1.00 52.21 C ATOM 270 CD PRO A 162 -5.622 0.269 6.227 1.00 4.44 C ATOM 0 HA PRO A 162 -8.645 -0.444 5.647 1.00 43.12 H new ATOM 0 HB2 PRO A 162 -7.868 -0.921 8.350 1.00 54.12 H new ATOM 0 HB3 PRO A 162 -7.372 -1.930 7.005 1.00 54.12 H new ATOM 0 HG2 PRO A 162 -5.873 0.289 8.362 1.00 52.21 H new ATOM 0 HG3 PRO A 162 -5.267 -1.229 7.728 1.00 52.21 H new ATOM 0 HD2 PRO A 162 -4.881 1.058 6.359 1.00 4.44 H new ATOM 0 HD3 PRO A 162 -5.215 -0.432 5.498 1.00 4.44 H new ATOM 278 N ASN A 163 -10.263 0.465 7.349 1.00 64.40 N ATOM 279 CA ASN A 163 -11.364 1.241 7.943 1.00 44.23 C ATOM 280 C ASN A 163 -11.836 2.347 6.981 1.00 32.31 C ATOM 281 O ASN A 163 -12.286 3.414 7.398 1.00 42.03 O ATOM 282 CB ASN A 163 -10.958 1.822 9.309 1.00 40.10 C ATOM 283 CG ASN A 163 -12.154 2.322 10.109 1.00 3.31 C ATOM 284 OD1 ASN A 163 -13.263 1.813 9.971 1.00 34.21 O ATOM 285 ND2 ASN A 163 -11.943 3.309 10.959 1.00 61.32 N ATOM 0 H ASN A 163 -10.516 -0.495 7.114 1.00 64.40 H new ATOM 0 HA ASN A 163 -12.202 0.565 8.110 1.00 44.23 H new ATOM 0 HB2 ASN A 163 -10.434 1.058 9.884 1.00 40.10 H new ATOM 0 HB3 ASN A 163 -10.258 2.643 9.157 1.00 40.10 H new ATOM 0 HD21 ASN A 163 -12.712 3.669 11.523 1.00 61.32 H new ATOM 0 HD22 ASN A 163 -11.010 3.712 11.052 1.00 61.32 H new ATOM 292 N LYS A 164 -11.722 2.060 5.680 1.00 74.32 N ATOM 293 CA LYS A 164 -12.247 2.931 4.615 1.00 60.13 C ATOM 294 C LYS A 164 -11.531 4.294 4.543 1.00 21.33 C ATOM 295 O LYS A 164 -12.073 5.260 3.998 1.00 15.14 O ATOM 296 CB LYS A 164 -13.764 3.133 4.788 1.00 21.21 C ATOM 297 CG LYS A 164 -14.558 1.833 4.911 1.00 72.32 C ATOM 298 CD LYS A 164 -14.316 0.891 3.730 1.00 43.51 C ATOM 299 CE LYS A 164 -15.139 -0.391 3.848 1.00 62.53 C ATOM 300 NZ LYS A 164 -14.821 -1.153 5.088 1.00 72.01 N ATOM 0 H LYS A 164 -11.264 1.218 5.332 1.00 74.32 H new ATOM 0 HA LYS A 164 -12.051 2.423 3.671 1.00 60.13 H new ATOM 0 HB2 LYS A 164 -13.940 3.739 5.677 1.00 21.21 H new ATOM 0 HB3 LYS A 164 -14.144 3.699 3.937 1.00 21.21 H new ATOM 0 HG2 LYS A 164 -14.284 1.329 5.837 1.00 72.32 H new ATOM 0 HG3 LYS A 164 -15.621 2.064 4.977 1.00 72.32 H new ATOM 0 HD2 LYS A 164 -14.569 1.401 2.801 1.00 43.51 H new ATOM 0 HD3 LYS A 164 -13.257 0.639 3.677 1.00 43.51 H new ATOM 0 HE2 LYS A 164 -16.200 -0.141 3.839 1.00 62.53 H new ATOM 0 HE3 LYS A 164 -14.953 -1.021 2.979 1.00 62.53 H new ATOM 0 HZ1 LYS A 164 -15.272 -2.089 5.045 1.00 72.01 H new ATOM 0 HZ2 LYS A 164 -13.791 -1.268 5.170 1.00 72.01 H new ATOM 0 HZ3 LYS A 164 -15.178 -0.634 5.916 1.00 72.01 H new ATOM 314 N GLN A 165 -10.302 4.363 5.053 1.00 42.10 N ATOM 315 CA GLN A 165 -9.509 5.602 5.005 1.00 75.35 C ATOM 316 C GLN A 165 -8.620 5.663 3.749 1.00 32.12 C ATOM 317 O GLN A 165 -8.666 4.775 2.895 1.00 11.11 O ATOM 318 CB GLN A 165 -8.645 5.727 6.259 1.00 13.13 C ATOM 319 CG GLN A 165 -9.458 5.893 7.533 1.00 13.05 C ATOM 320 CD GLN A 165 -8.675 6.571 8.637 1.00 2.21 C ATOM 321 OE1 GLN A 165 -7.459 6.440 8.733 1.00 10.42 O ATOM 322 NE2 GLN A 165 -9.364 7.317 9.468 1.00 72.51 N ATOM 0 H GLN A 165 -9.830 3.580 5.505 1.00 42.10 H new ATOM 0 HA GLN A 165 -10.209 6.437 4.961 1.00 75.35 H new ATOM 0 HB2 GLN A 165 -8.017 4.841 6.349 1.00 13.13 H new ATOM 0 HB3 GLN A 165 -7.977 6.581 6.148 1.00 13.13 H new ATOM 0 HG2 GLN A 165 -10.353 6.476 7.316 1.00 13.05 H new ATOM 0 HG3 GLN A 165 -9.792 4.914 7.877 1.00 13.05 H new ATOM 0 HE21 GLN A 165 -10.374 7.403 9.358 1.00 72.51 H new ATOM 0 HE22 GLN A 165 -8.889 7.811 10.224 1.00 72.51 H new ATOM 331 N ARG A 166 -7.811 6.722 3.638 1.00 40.21 N ATOM 332 CA ARG A 166 -6.862 6.859 2.526 1.00 71.01 C ATOM 333 C ARG A 166 -5.705 7.812 2.873 1.00 52.22 C ATOM 334 O ARG A 166 -5.824 8.666 3.756 1.00 5.50 O ATOM 335 CB ARG A 166 -7.575 7.368 1.262 1.00 0.03 C ATOM 336 CG ARG A 166 -8.100 8.794 1.386 1.00 10.12 C ATOM 337 CD ARG A 166 -8.682 9.308 0.074 1.00 64.00 C ATOM 338 NE ARG A 166 -9.096 10.706 0.175 1.00 33.35 N ATOM 339 CZ ARG A 166 -9.207 11.521 -0.838 1.00 51.04 C ATOM 340 NH1 ARG A 166 -8.953 11.127 -2.045 1.00 65.23 N ATOM 341 NH2 ARG A 166 -9.567 12.742 -0.637 1.00 51.20 N ATOM 0 H ARG A 166 -7.794 7.496 4.303 1.00 40.21 H new ATOM 0 HA ARG A 166 -6.448 5.868 2.340 1.00 71.01 H new ATOM 0 HB2 ARG A 166 -6.884 7.317 0.420 1.00 0.03 H new ATOM 0 HB3 ARG A 166 -8.407 6.703 1.032 1.00 0.03 H new ATOM 0 HG2 ARG A 166 -8.866 8.832 2.161 1.00 10.12 H new ATOM 0 HG3 ARG A 166 -7.291 9.451 1.705 1.00 10.12 H new ATOM 0 HD2 ARG A 166 -7.940 9.205 -0.718 1.00 64.00 H new ATOM 0 HD3 ARG A 166 -9.538 8.695 -0.209 1.00 64.00 H new ATOM 0 HE ARG A 166 -9.313 11.070 1.103 1.00 33.35 H new ATOM 0 HH11 ARG A 166 -8.661 10.165 -2.217 1.00 65.23 H new ATOM 0 HH12 ARG A 166 -9.045 11.779 -2.824 1.00 65.23 H new ATOM 0 HH21 ARG A 166 -9.763 13.067 0.310 1.00 51.20 H new ATOM 0 HH22 ARG A 166 -9.656 13.384 -1.425 1.00 51.20 H new ATOM 355 N THR A 167 -4.587 7.648 2.176 1.00 10.31 N ATOM 356 CA THR A 167 -3.446 8.566 2.287 1.00 44.55 C ATOM 357 C THR A 167 -2.588 8.506 1.018 1.00 43.22 C ATOM 358 O THR A 167 -2.666 7.544 0.251 1.00 12.40 O ATOM 359 CB THR A 167 -2.559 8.256 3.519 1.00 60.00 C ATOM 360 OG1 THR A 167 -1.571 9.284 3.684 1.00 35.10 O ATOM 361 CG2 THR A 167 -1.870 6.901 3.385 1.00 24.12 C ATOM 0 H THR A 167 -4.440 6.881 1.520 1.00 10.31 H new ATOM 0 HA THR A 167 -3.858 9.567 2.412 1.00 44.55 H new ATOM 0 HB THR A 167 -3.206 8.224 4.395 1.00 60.00 H new ATOM 0 HG1 THR A 167 -1.016 9.082 4.466 1.00 35.10 H new ATOM 0 HG21 THR A 167 -1.256 6.716 4.267 1.00 24.12 H new ATOM 0 HG22 THR A 167 -2.622 6.117 3.296 1.00 24.12 H new ATOM 0 HG23 THR A 167 -1.238 6.900 2.497 1.00 24.12 H new ATOM 369 N VAL A 168 -1.774 9.530 0.790 1.00 10.33 N ATOM 370 CA VAL A 168 -0.925 9.587 -0.407 1.00 41.30 C ATOM 371 C VAL A 168 0.566 9.570 -0.028 1.00 3.10 C ATOM 372 O VAL A 168 1.047 10.458 0.680 1.00 14.53 O ATOM 373 CB VAL A 168 -1.236 10.845 -1.258 1.00 14.54 C ATOM 374 CG1 VAL A 168 -0.360 10.887 -2.506 1.00 43.22 C ATOM 375 CG2 VAL A 168 -2.718 10.890 -1.634 1.00 12.40 C ATOM 0 H VAL A 168 -1.680 10.333 1.412 1.00 10.33 H new ATOM 0 HA VAL A 168 -1.146 8.702 -1.003 1.00 41.30 H new ATOM 0 HB VAL A 168 -1.010 11.726 -0.657 1.00 14.54 H new ATOM 0 HG11 VAL A 168 -0.597 11.779 -3.087 1.00 43.22 H new ATOM 0 HG12 VAL A 168 0.690 10.913 -2.213 1.00 43.22 H new ATOM 0 HG13 VAL A 168 -0.546 10.000 -3.111 1.00 43.22 H new ATOM 0 HG21 VAL A 168 -2.915 11.780 -2.231 1.00 12.40 H new ATOM 0 HG22 VAL A 168 -2.974 10.002 -2.212 1.00 12.40 H new ATOM 0 HG23 VAL A 168 -3.323 10.920 -0.728 1.00 12.40 H new ATOM 385 N VAL A 169 1.290 8.556 -0.503 1.00 63.32 N ATOM 386 CA VAL A 169 2.714 8.382 -0.174 1.00 51.53 C ATOM 387 C VAL A 169 3.609 8.476 -1.428 1.00 73.24 C ATOM 388 O VAL A 169 3.163 8.186 -2.539 1.00 62.01 O ATOM 389 CB VAL A 169 2.955 7.017 0.528 1.00 12.05 C ATOM 390 CG1 VAL A 169 2.186 6.936 1.847 1.00 61.13 C ATOM 391 CG2 VAL A 169 2.570 5.858 -0.393 1.00 45.54 C ATOM 0 H VAL A 169 0.915 7.836 -1.121 1.00 63.32 H new ATOM 0 HA VAL A 169 2.984 9.193 0.503 1.00 51.53 H new ATOM 0 HB VAL A 169 4.019 6.938 0.752 1.00 12.05 H new ATOM 0 HG11 VAL A 169 2.372 5.971 2.318 1.00 61.13 H new ATOM 0 HG12 VAL A 169 2.518 7.734 2.511 1.00 61.13 H new ATOM 0 HG13 VAL A 169 1.119 7.046 1.653 1.00 61.13 H new ATOM 0 HG21 VAL A 169 2.747 4.912 0.119 1.00 45.54 H new ATOM 0 HG22 VAL A 169 1.515 5.937 -0.655 1.00 45.54 H new ATOM 0 HG23 VAL A 169 3.173 5.898 -1.300 1.00 45.54 H new ATOM 401 N PRO A 170 4.886 8.894 -1.273 1.00 63.44 N ATOM 402 CA PRO A 170 5.833 8.984 -2.401 1.00 53.24 C ATOM 403 C PRO A 170 6.370 7.610 -2.858 1.00 24.11 C ATOM 404 O PRO A 170 6.544 6.690 -2.052 1.00 34.24 O ATOM 405 CB PRO A 170 6.963 9.852 -1.830 1.00 22.03 C ATOM 406 CG PRO A 170 6.949 9.568 -0.365 1.00 51.32 C ATOM 407 CD PRO A 170 5.502 9.325 0.000 1.00 44.22 C ATOM 0 HA PRO A 170 5.363 9.394 -3.295 1.00 53.24 H new ATOM 0 HB2 PRO A 170 7.924 9.595 -2.275 1.00 22.03 H new ATOM 0 HB3 PRO A 170 6.791 10.909 -2.031 1.00 22.03 H new ATOM 0 HG2 PRO A 170 7.562 8.697 -0.131 1.00 51.32 H new ATOM 0 HG3 PRO A 170 7.358 10.407 0.199 1.00 51.32 H new ATOM 0 HD2 PRO A 170 5.407 8.560 0.770 1.00 44.22 H new ATOM 0 HD3 PRO A 170 5.030 10.228 0.388 1.00 44.22 H new ATOM 415 N ALA A 171 6.644 7.485 -4.157 1.00 50.24 N ATOM 416 CA ALA A 171 7.147 6.234 -4.738 1.00 13.45 C ATOM 417 C ALA A 171 8.656 6.310 -5.033 1.00 14.15 C ATOM 418 O ALA A 171 9.125 7.229 -5.710 1.00 64.13 O ATOM 419 CB ALA A 171 6.374 5.904 -6.012 1.00 62.44 C ATOM 0 H ALA A 171 6.526 8.239 -4.833 1.00 50.24 H new ATOM 0 HA ALA A 171 6.995 5.440 -4.007 1.00 13.45 H new ATOM 0 HB1 ALA A 171 6.753 4.975 -6.437 1.00 62.44 H new ATOM 0 HB2 ALA A 171 5.316 5.790 -5.776 1.00 62.44 H new ATOM 0 HB3 ALA A 171 6.500 6.711 -6.734 1.00 62.44 H new ATOM 425 N ARG A 172 9.409 5.338 -4.518 1.00 34.42 N ATOM 426 CA ARG A 172 10.866 5.286 -4.712 1.00 2.22 C ATOM 427 C ARG A 172 11.321 3.908 -5.231 1.00 24.01 C ATOM 428 O ARG A 172 10.748 2.875 -4.876 1.00 10.41 O ATOM 429 CB ARG A 172 11.586 5.607 -3.393 1.00 62.15 C ATOM 430 CG ARG A 172 11.269 6.992 -2.831 1.00 44.13 C ATOM 431 CD ARG A 172 12.001 7.257 -1.518 1.00 61.34 C ATOM 432 NE ARG A 172 11.724 8.596 -0.993 1.00 11.12 N ATOM 433 CZ ARG A 172 11.760 8.915 0.275 1.00 51.52 C ATOM 434 NH1 ARG A 172 12.054 8.031 1.178 1.00 15.34 N ATOM 435 NH2 ARG A 172 11.507 10.129 0.641 1.00 32.04 N ATOM 0 H ARG A 172 9.036 4.570 -3.960 1.00 34.42 H new ATOM 0 HA ARG A 172 11.127 6.032 -5.463 1.00 2.22 H new ATOM 0 HB2 ARG A 172 11.316 4.855 -2.652 1.00 62.15 H new ATOM 0 HB3 ARG A 172 12.662 5.528 -3.550 1.00 62.15 H new ATOM 0 HG2 ARG A 172 11.547 7.752 -3.561 1.00 44.13 H new ATOM 0 HG3 ARG A 172 10.194 7.081 -2.672 1.00 44.13 H new ATOM 0 HD2 ARG A 172 11.704 6.511 -0.781 1.00 61.34 H new ATOM 0 HD3 ARG A 172 13.074 7.143 -1.672 1.00 61.34 H new ATOM 0 HE ARG A 172 11.487 9.329 -1.661 1.00 11.12 H new ATOM 0 HH11 ARG A 172 12.261 7.071 0.903 1.00 15.34 H new ATOM 0 HH12 ARG A 172 12.078 8.296 2.163 1.00 15.34 H new ATOM 0 HH21 ARG A 172 11.280 10.836 -0.059 1.00 32.04 H new ATOM 0 HH22 ARG A 172 11.534 10.380 1.629 1.00 32.04 H new ATOM 449 N CYS A 173 12.361 3.899 -6.065 1.00 44.44 N ATOM 450 CA CYS A 173 12.932 2.650 -6.595 1.00 34.22 C ATOM 451 C CYS A 173 13.771 1.937 -5.529 1.00 73.54 C ATOM 452 O CYS A 173 14.602 2.555 -4.862 1.00 54.24 O ATOM 453 CB CYS A 173 13.800 2.934 -7.828 1.00 24.02 C ATOM 454 SG CYS A 173 14.600 1.468 -8.531 1.00 41.13 S ATOM 0 H CYS A 173 12.830 4.744 -6.392 1.00 44.44 H new ATOM 0 HA CYS A 173 12.104 2.002 -6.883 1.00 34.22 H new ATOM 0 HB2 CYS A 173 13.180 3.398 -8.595 1.00 24.02 H new ATOM 0 HB3 CYS A 173 14.568 3.658 -7.558 1.00 24.02 H new ATOM 0 HG CYS A 173 15.306 1.813 -9.566 1.00 41.13 H new ATOM 460 N GLY A 174 13.547 0.635 -5.367 1.00 44.25 N ATOM 461 CA GLY A 174 14.239 -0.126 -4.329 1.00 14.15 C ATOM 462 C GLY A 174 13.430 -0.221 -3.040 1.00 35.34 C ATOM 463 O GLY A 174 13.622 -1.135 -2.235 1.00 14.51 O ATOM 0 H GLY A 174 12.899 0.089 -5.935 1.00 44.25 H new ATOM 0 HA2 GLY A 174 14.449 -1.130 -4.698 1.00 14.15 H new ATOM 0 HA3 GLY A 174 15.200 0.343 -4.118 1.00 14.15 H new ATOM 467 N VAL A 175 12.524 0.734 -2.843 1.00 74.31 N ATOM 468 CA VAL A 175 11.647 0.743 -1.672 1.00 13.22 C ATOM 469 C VAL A 175 10.398 -0.123 -1.908 1.00 42.41 C ATOM 470 O VAL A 175 9.665 0.067 -2.884 1.00 2.31 O ATOM 471 CB VAL A 175 11.213 2.186 -1.308 1.00 13.43 C ATOM 472 CG1 VAL A 175 10.254 2.194 -0.116 1.00 52.21 C ATOM 473 CG2 VAL A 175 12.437 3.058 -1.030 1.00 74.34 C ATOM 0 H VAL A 175 12.377 1.515 -3.482 1.00 74.31 H new ATOM 0 HA VAL A 175 12.216 0.325 -0.841 1.00 13.22 H new ATOM 0 HB VAL A 175 10.679 2.603 -2.162 1.00 13.43 H new ATOM 0 HG11 VAL A 175 9.968 3.220 0.114 1.00 52.21 H new ATOM 0 HG12 VAL A 175 9.363 1.616 -0.362 1.00 52.21 H new ATOM 0 HG13 VAL A 175 10.746 1.751 0.750 1.00 52.21 H new ATOM 0 HG21 VAL A 175 12.114 4.068 -0.776 1.00 74.34 H new ATOM 0 HG22 VAL A 175 13.002 2.638 -0.198 1.00 74.34 H new ATOM 0 HG23 VAL A 175 13.069 3.092 -1.917 1.00 74.34 H new ATOM 483 N THR A 176 10.162 -1.074 -1.011 1.00 42.43 N ATOM 484 CA THR A 176 9.010 -1.975 -1.123 1.00 64.31 C ATOM 485 C THR A 176 7.739 -1.332 -0.564 1.00 33.12 C ATOM 486 O THR A 176 7.797 -0.321 0.141 1.00 24.04 O ATOM 487 CB THR A 176 9.249 -3.296 -0.361 1.00 74.15 C ATOM 488 OG1 THR A 176 9.233 -3.055 1.057 1.00 62.33 O ATOM 489 CG2 THR A 176 10.580 -3.925 -0.752 1.00 31.33 C ATOM 0 H THR A 176 10.751 -1.245 -0.196 1.00 42.43 H new ATOM 0 HA THR A 176 8.885 -2.178 -2.187 1.00 64.31 H new ATOM 0 HB THR A 176 8.449 -3.986 -0.627 1.00 74.15 H new ATOM 0 HG1 THR A 176 10.100 -2.694 1.337 1.00 62.33 H new ATOM 0 HG21 THR A 176 10.720 -4.854 -0.199 1.00 31.33 H new ATOM 0 HG22 THR A 176 10.583 -4.136 -1.821 1.00 31.33 H new ATOM 0 HG23 THR A 176 11.391 -3.236 -0.516 1.00 31.33 H new ATOM 497 N VAL A 177 6.589 -1.929 -0.871 1.00 53.45 N ATOM 498 CA VAL A 177 5.319 -1.507 -0.275 1.00 4.25 C ATOM 499 C VAL A 177 5.400 -1.583 1.262 1.00 73.21 C ATOM 500 O VAL A 177 4.808 -0.772 1.976 1.00 41.34 O ATOM 501 CB VAL A 177 4.146 -2.391 -0.781 1.00 3.32 C ATOM 502 CG1 VAL A 177 2.819 -1.956 -0.165 1.00 24.24 C ATOM 503 CG2 VAL A 177 4.069 -2.367 -2.310 1.00 2.22 C ATOM 0 H VAL A 177 6.508 -2.705 -1.528 1.00 53.45 H new ATOM 0 HA VAL A 177 5.132 -0.476 -0.576 1.00 4.25 H new ATOM 0 HB VAL A 177 4.340 -3.416 -0.464 1.00 3.32 H new ATOM 0 HG11 VAL A 177 2.018 -2.594 -0.539 1.00 24.24 H new ATOM 0 HG12 VAL A 177 2.876 -2.043 0.920 1.00 24.24 H new ATOM 0 HG13 VAL A 177 2.614 -0.920 -0.436 1.00 24.24 H new ATOM 0 HG21 VAL A 177 3.241 -2.993 -2.642 1.00 2.22 H new ATOM 0 HG22 VAL A 177 3.910 -1.344 -2.650 1.00 2.22 H new ATOM 0 HG23 VAL A 177 5.001 -2.748 -2.727 1.00 2.22 H new ATOM 513 N ARG A 178 6.175 -2.547 1.752 1.00 44.25 N ATOM 514 CA ARG A 178 6.358 -2.753 3.189 1.00 1.30 C ATOM 515 C ARG A 178 7.139 -1.592 3.825 1.00 11.01 C ATOM 516 O ARG A 178 6.752 -1.082 4.876 1.00 22.23 O ATOM 517 CB ARG A 178 7.067 -4.097 3.424 1.00 2.25 C ATOM 518 CG ARG A 178 6.887 -4.677 4.827 1.00 42.21 C ATOM 519 CD ARG A 178 7.863 -4.091 5.844 1.00 5.21 C ATOM 520 NE ARG A 178 7.661 -4.665 7.170 1.00 41.31 N ATOM 521 CZ ARG A 178 8.360 -4.353 8.224 1.00 24.30 C ATOM 522 NH1 ARG A 178 9.356 -3.534 8.143 1.00 34.23 N ATOM 523 NH2 ARG A 178 8.068 -4.887 9.360 1.00 23.15 N ATOM 0 H ARG A 178 6.692 -3.205 1.169 1.00 44.25 H new ATOM 0 HA ARG A 178 5.380 -2.779 3.670 1.00 1.30 H new ATOM 0 HB2 ARG A 178 6.697 -4.820 2.697 1.00 2.25 H new ATOM 0 HB3 ARG A 178 8.132 -3.969 3.232 1.00 2.25 H new ATOM 0 HG2 ARG A 178 5.867 -4.492 5.163 1.00 42.21 H new ATOM 0 HG3 ARG A 178 7.018 -5.758 4.787 1.00 42.21 H new ATOM 0 HD2 ARG A 178 8.886 -4.277 5.518 1.00 5.21 H new ATOM 0 HD3 ARG A 178 7.736 -3.010 5.891 1.00 5.21 H new ATOM 0 HE ARG A 178 6.921 -5.359 7.279 1.00 41.31 H new ATOM 0 HH11 ARG A 178 9.605 -3.121 7.244 1.00 34.23 H new ATOM 0 HH12 ARG A 178 9.893 -3.300 8.978 1.00 34.23 H new ATOM 0 HH21 ARG A 178 7.295 -5.548 9.429 1.00 23.15 H new ATOM 0 HH22 ARG A 178 8.610 -4.648 10.190 1.00 23.15 H new ATOM 537 N ASP A 179 8.231 -1.173 3.185 1.00 3.10 N ATOM 538 CA ASP A 179 9.023 -0.033 3.670 1.00 53.51 C ATOM 539 C ASP A 179 8.249 1.289 3.547 1.00 14.25 C ATOM 540 O ASP A 179 8.397 2.189 4.376 1.00 15.45 O ATOM 541 CB ASP A 179 10.346 0.069 2.900 1.00 55.43 C ATOM 542 CG ASP A 179 11.287 -1.073 3.219 1.00 4.51 C ATOM 543 OD1 ASP A 179 11.882 -1.059 4.317 1.00 72.13 O ATOM 544 OD2 ASP A 179 11.437 -1.983 2.379 1.00 1.03 O ATOM 0 H ASP A 179 8.590 -1.602 2.332 1.00 3.10 H new ATOM 0 HA ASP A 179 9.231 -0.208 4.725 1.00 53.51 H new ATOM 0 HB2 ASP A 179 10.141 0.079 1.830 1.00 55.43 H new ATOM 0 HB3 ASP A 179 10.832 1.015 3.141 1.00 55.43 H new ATOM 549 N SER A 180 7.421 1.397 2.515 1.00 64.14 N ATOM 550 CA SER A 180 6.654 2.624 2.263 1.00 62.23 C ATOM 551 C SER A 180 5.483 2.791 3.246 1.00 31.45 C ATOM 552 O SER A 180 5.261 3.881 3.779 1.00 41.30 O ATOM 553 CB SER A 180 6.120 2.633 0.825 1.00 12.31 C ATOM 554 OG SER A 180 5.379 3.814 0.556 1.00 22.04 O ATOM 0 H SER A 180 7.259 0.653 1.836 1.00 64.14 H new ATOM 0 HA SER A 180 7.336 3.461 2.410 1.00 62.23 H new ATOM 0 HB2 SER A 180 6.952 2.556 0.125 1.00 12.31 H new ATOM 0 HB3 SER A 180 5.487 1.760 0.664 1.00 12.31 H new ATOM 0 HG SER A 180 5.800 4.303 -0.182 1.00 22.04 H new ATOM 560 N LEU A 181 4.743 1.710 3.500 1.00 51.34 N ATOM 561 CA LEU A 181 3.519 1.789 4.315 1.00 3.11 C ATOM 562 C LEU A 181 3.739 1.437 5.801 1.00 2.31 C ATOM 563 O LEU A 181 2.814 1.561 6.606 1.00 44.40 O ATOM 564 CB LEU A 181 2.437 0.877 3.724 1.00 0.43 C ATOM 565 CG LEU A 181 2.019 1.206 2.280 1.00 53.33 C ATOM 566 CD1 LEU A 181 0.871 0.305 1.833 1.00 23.22 C ATOM 567 CD2 LEU A 181 1.635 2.680 2.147 1.00 62.21 C ATOM 0 H LEU A 181 4.963 0.775 3.158 1.00 51.34 H new ATOM 0 HA LEU A 181 3.200 2.831 4.286 1.00 3.11 H new ATOM 0 HB2 LEU A 181 2.795 -0.152 3.756 1.00 0.43 H new ATOM 0 HB3 LEU A 181 1.554 0.928 4.361 1.00 0.43 H new ATOM 0 HG LEU A 181 2.873 1.019 1.628 1.00 53.33 H new ATOM 0 HD11 LEU A 181 0.591 0.554 0.810 1.00 23.22 H new ATOM 0 HD12 LEU A 181 1.187 -0.737 1.880 1.00 23.22 H new ATOM 0 HD13 LEU A 181 0.014 0.454 2.490 1.00 23.22 H new ATOM 0 HD21 LEU A 181 1.343 2.889 1.118 1.00 62.21 H new ATOM 0 HD22 LEU A 181 0.800 2.900 2.812 1.00 62.21 H new ATOM 0 HD23 LEU A 181 2.487 3.304 2.416 1.00 62.21 H new ATOM 579 N LYS A 182 4.948 1.013 6.174 1.00 41.22 N ATOM 580 CA LYS A 182 5.218 0.610 7.567 1.00 32.11 C ATOM 581 C LYS A 182 4.930 1.745 8.569 1.00 51.44 C ATOM 582 O LYS A 182 4.330 1.517 9.623 1.00 3.21 O ATOM 583 CB LYS A 182 6.663 0.114 7.734 1.00 1.31 C ATOM 584 CG LYS A 182 7.731 1.149 7.393 1.00 23.13 C ATOM 585 CD LYS A 182 9.124 0.695 7.827 1.00 31.22 C ATOM 586 CE LYS A 182 9.205 0.489 9.339 1.00 32.43 C ATOM 587 NZ LYS A 182 10.579 0.147 9.787 1.00 25.24 N ATOM 0 H LYS A 182 5.749 0.938 5.546 1.00 41.22 H new ATOM 0 HA LYS A 182 4.536 -0.211 7.789 1.00 32.11 H new ATOM 0 HB2 LYS A 182 6.805 -0.210 8.765 1.00 1.31 H new ATOM 0 HB3 LYS A 182 6.809 -0.762 7.101 1.00 1.31 H new ATOM 0 HG2 LYS A 182 7.728 1.334 6.319 1.00 23.13 H new ATOM 0 HG3 LYS A 182 7.489 2.094 7.880 1.00 23.13 H new ATOM 0 HD2 LYS A 182 9.379 -0.235 7.319 1.00 31.22 H new ATOM 0 HD3 LYS A 182 9.861 1.438 7.521 1.00 31.22 H new ATOM 0 HE2 LYS A 182 8.875 1.396 9.845 1.00 32.43 H new ATOM 0 HE3 LYS A 182 8.521 -0.307 9.632 1.00 32.43 H new ATOM 0 HZ1 LYS A 182 10.585 0.017 10.819 1.00 25.24 H new ATOM 0 HZ2 LYS A 182 10.886 -0.733 9.325 1.00 25.24 H new ATOM 0 HZ3 LYS A 182 11.229 0.917 9.531 1.00 25.24 H new ATOM 601 N LYS A 183 5.351 2.966 8.241 1.00 4.14 N ATOM 602 CA LYS A 183 5.104 4.126 9.109 1.00 61.31 C ATOM 603 C LYS A 183 3.678 4.670 8.911 1.00 32.54 C ATOM 604 O LYS A 183 3.085 5.246 9.827 1.00 74.14 O ATOM 605 CB LYS A 183 6.139 5.229 8.841 1.00 70.43 C ATOM 606 CG LYS A 183 7.587 4.758 8.981 1.00 44.34 C ATOM 607 CD LYS A 183 8.591 5.900 8.822 1.00 14.23 C ATOM 608 CE LYS A 183 8.487 6.914 9.957 1.00 2.01 C ATOM 609 NZ LYS A 183 9.544 7.957 9.873 1.00 71.14 N ATOM 0 H LYS A 183 5.863 3.181 7.385 1.00 4.14 H new ATOM 0 HA LYS A 183 5.202 3.799 10.144 1.00 61.31 H new ATOM 0 HB2 LYS A 183 5.989 5.620 7.835 1.00 70.43 H new ATOM 0 HB3 LYS A 183 5.966 6.054 9.532 1.00 70.43 H new ATOM 0 HG2 LYS A 183 7.722 4.293 9.958 1.00 44.34 H new ATOM 0 HG3 LYS A 183 7.791 3.992 8.233 1.00 44.34 H new ATOM 0 HD2 LYS A 183 9.602 5.493 8.791 1.00 14.23 H new ATOM 0 HD3 LYS A 183 8.421 6.403 7.870 1.00 14.23 H new ATOM 0 HE2 LYS A 183 7.506 7.389 9.930 1.00 2.01 H new ATOM 0 HE3 LYS A 183 8.564 6.397 10.913 1.00 2.01 H new ATOM 0 HZ1 LYS A 183 9.436 8.625 10.663 1.00 71.14 H new ATOM 0 HZ2 LYS A 183 10.480 7.507 9.925 1.00 71.14 H new ATOM 0 HZ3 LYS A 183 9.456 8.469 8.972 1.00 71.14 H new ATOM 623 N ALA A 184 3.130 4.469 7.712 1.00 14.23 N ATOM 624 CA ALA A 184 1.755 4.882 7.405 1.00 62.13 C ATOM 625 C ALA A 184 0.740 4.108 8.258 1.00 2.42 C ATOM 626 O ALA A 184 -0.260 4.661 8.719 1.00 65.22 O ATOM 627 CB ALA A 184 1.463 4.690 5.918 1.00 65.54 C ATOM 0 H ALA A 184 3.616 4.022 6.935 1.00 14.23 H new ATOM 0 HA ALA A 184 1.657 5.940 7.647 1.00 62.13 H new ATOM 0 HB1 ALA A 184 0.440 5.000 5.705 1.00 65.54 H new ATOM 0 HB2 ALA A 184 2.155 5.293 5.330 1.00 65.54 H new ATOM 0 HB3 ALA A 184 1.585 3.639 5.656 1.00 65.54 H new ATOM 633 N LEU A 185 1.005 2.822 8.467 1.00 72.44 N ATOM 634 CA LEU A 185 0.168 1.988 9.332 1.00 2.23 C ATOM 635 C LEU A 185 0.494 2.227 10.815 1.00 4.30 C ATOM 636 O LEU A 185 -0.375 2.102 11.680 1.00 64.42 O ATOM 637 CB LEU A 185 0.351 0.506 8.976 1.00 32.23 C ATOM 638 CG LEU A 185 -0.094 0.116 7.556 1.00 73.43 C ATOM 639 CD1 LEU A 185 0.176 -1.362 7.288 1.00 13.51 C ATOM 640 CD2 LEU A 185 -1.572 0.445 7.345 1.00 54.11 C ATOM 0 H LEU A 185 1.795 2.331 8.049 1.00 72.44 H new ATOM 0 HA LEU A 185 -0.873 2.265 9.168 1.00 2.23 H new ATOM 0 HB2 LEU A 185 1.403 0.247 9.094 1.00 32.23 H new ATOM 0 HB3 LEU A 185 -0.208 -0.096 9.693 1.00 32.23 H new ATOM 0 HG LEU A 185 0.490 0.699 6.845 1.00 73.43 H new ATOM 0 HD11 LEU A 185 -0.147 -1.614 6.278 1.00 13.51 H new ATOM 0 HD12 LEU A 185 1.243 -1.561 7.388 1.00 13.51 H new ATOM 0 HD13 LEU A 185 -0.375 -1.969 8.007 1.00 13.51 H new ATOM 0 HD21 LEU A 185 -1.867 0.162 6.335 1.00 54.11 H new ATOM 0 HD22 LEU A 185 -2.174 -0.106 8.067 1.00 54.11 H new ATOM 0 HD23 LEU A 185 -1.730 1.515 7.483 1.00 54.11 H new ATOM 652 N MET A 186 1.749 2.586 11.095 1.00 51.01 N ATOM 653 CA MET A 186 2.196 2.865 12.467 1.00 3.53 C ATOM 654 C MET A 186 1.310 3.932 13.138 1.00 22.34 C ATOM 655 O MET A 186 0.842 3.745 14.261 1.00 71.31 O ATOM 656 CB MET A 186 3.670 3.310 12.459 1.00 25.13 C ATOM 657 CG MET A 186 4.310 3.420 13.842 1.00 24.32 C ATOM 658 SD MET A 186 3.609 4.750 14.844 1.00 23.33 S ATOM 659 CE MET A 186 4.539 4.550 16.365 1.00 2.43 C ATOM 0 H MET A 186 2.478 2.691 10.389 1.00 51.01 H new ATOM 0 HA MET A 186 2.106 1.948 13.050 1.00 3.53 H new ATOM 0 HB2 MET A 186 4.246 2.603 11.862 1.00 25.13 H new ATOM 0 HB3 MET A 186 3.741 4.278 11.963 1.00 25.13 H new ATOM 0 HG2 MET A 186 4.188 2.473 14.369 1.00 24.32 H new ATOM 0 HG3 MET A 186 5.381 3.585 13.728 1.00 24.32 H new ATOM 0 HE1 MET A 186 4.220 5.301 17.088 1.00 2.43 H new ATOM 0 HE2 MET A 186 4.360 3.555 16.773 1.00 2.43 H new ATOM 0 HE3 MET A 186 5.603 4.672 16.160 1.00 2.43 H new ATOM 669 N MET A 187 1.060 5.039 12.437 1.00 0.53 N ATOM 670 CA MET A 187 0.201 6.114 12.965 1.00 61.33 C ATOM 671 C MET A 187 -1.257 5.650 13.151 1.00 41.41 C ATOM 672 O MET A 187 -2.027 6.267 13.888 1.00 21.12 O ATOM 673 CB MET A 187 0.257 7.344 12.049 1.00 62.23 C ATOM 674 CG MET A 187 -0.195 7.076 10.620 1.00 53.42 C ATOM 675 SD MET A 187 -0.152 8.558 9.587 1.00 12.15 S ATOM 676 CE MET A 187 -0.685 7.889 8.008 1.00 4.32 C ATOM 0 H MET A 187 1.436 5.220 11.506 1.00 0.53 H new ATOM 0 HA MET A 187 0.586 6.384 13.948 1.00 61.33 H new ATOM 0 HB2 MET A 187 -0.367 8.130 12.475 1.00 62.23 H new ATOM 0 HB3 MET A 187 1.279 7.724 12.030 1.00 62.23 H new ATOM 0 HG2 MET A 187 0.444 6.311 10.178 1.00 53.42 H new ATOM 0 HG3 MET A 187 -1.209 6.676 10.633 1.00 53.42 H new ATOM 0 HE1 MET A 187 -1.343 8.604 7.514 1.00 4.32 H new ATOM 0 HE2 MET A 187 0.186 7.702 7.379 1.00 4.32 H new ATOM 0 HE3 MET A 187 -1.222 6.954 8.171 1.00 4.32 H new ATOM 686 N ARG A 188 -1.631 4.559 12.479 1.00 11.31 N ATOM 687 CA ARG A 188 -2.965 3.958 12.642 1.00 74.43 C ATOM 688 C ARG A 188 -2.987 2.952 13.807 1.00 2.53 C ATOM 689 O ARG A 188 -4.043 2.425 14.166 1.00 52.21 O ATOM 690 CB ARG A 188 -3.389 3.245 11.347 1.00 72.45 C ATOM 691 CG ARG A 188 -3.738 4.180 10.190 1.00 74.05 C ATOM 692 CD ARG A 188 -5.062 4.904 10.423 1.00 5.32 C ATOM 693 NE ARG A 188 -6.165 3.971 10.675 1.00 21.22 N ATOM 694 CZ ARG A 188 -6.930 3.453 9.748 1.00 1.32 C ATOM 695 NH1 ARG A 188 -6.789 3.786 8.505 1.00 22.25 N ATOM 696 NH2 ARG A 188 -7.858 2.615 10.070 1.00 22.43 N ATOM 0 H ARG A 188 -1.031 4.070 11.815 1.00 11.31 H new ATOM 0 HA ARG A 188 -3.665 4.763 12.865 1.00 74.43 H new ATOM 0 HB2 ARG A 188 -2.582 2.583 11.031 1.00 72.45 H new ATOM 0 HB3 ARG A 188 -4.253 2.615 11.561 1.00 72.45 H new ATOM 0 HG2 ARG A 188 -2.941 4.913 10.062 1.00 74.05 H new ATOM 0 HG3 ARG A 188 -3.795 3.607 9.265 1.00 74.05 H new ATOM 0 HD2 ARG A 188 -4.960 5.581 11.271 1.00 5.32 H new ATOM 0 HD3 ARG A 188 -5.298 5.516 9.553 1.00 5.32 H new ATOM 0 HE ARG A 188 -6.349 3.707 11.643 1.00 21.22 H new ATOM 0 HH11 ARG A 188 -6.073 4.461 8.236 1.00 22.25 H new ATOM 0 HH12 ARG A 188 -7.393 3.373 7.795 1.00 22.25 H new ATOM 0 HH21 ARG A 188 -7.995 2.357 11.047 1.00 22.43 H new ATOM 0 HH22 ARG A 188 -8.454 2.212 9.347 1.00 22.43 H new ATOM 710 N GLY A 189 -1.814 2.693 14.385 1.00 53.15 N ATOM 711 CA GLY A 189 -1.692 1.696 15.446 1.00 43.15 C ATOM 712 C GLY A 189 -1.554 0.275 14.905 1.00 13.20 C ATOM 713 O GLY A 189 -1.721 -0.701 15.639 1.00 24.51 O ATOM 0 H GLY A 189 -0.940 3.157 14.138 1.00 53.15 H new ATOM 0 HA2 GLY A 189 -0.825 1.932 16.063 1.00 43.15 H new ATOM 0 HA3 GLY A 189 -2.567 1.751 16.093 1.00 43.15 H new ATOM 717 N LEU A 190 -1.230 0.164 13.620 1.00 52.42 N ATOM 718 CA LEU A 190 -1.141 -1.131 12.937 1.00 0.10 C ATOM 719 C LEU A 190 0.285 -1.409 12.433 1.00 33.13 C ATOM 720 O LEU A 190 1.158 -0.543 12.490 1.00 25.51 O ATOM 721 CB LEU A 190 -2.121 -1.153 11.754 1.00 63.51 C ATOM 722 CG LEU A 190 -3.591 -0.877 12.111 1.00 62.32 C ATOM 723 CD1 LEU A 190 -4.439 -0.765 10.849 1.00 71.24 C ATOM 724 CD2 LEU A 190 -4.139 -1.964 13.037 1.00 3.31 C ATOM 0 H LEU A 190 -1.022 0.963 13.021 1.00 52.42 H new ATOM 0 HA LEU A 190 -1.400 -1.911 13.653 1.00 0.10 H new ATOM 0 HB2 LEU A 190 -1.797 -0.413 11.022 1.00 63.51 H new ATOM 0 HB3 LEU A 190 -2.059 -2.128 11.271 1.00 63.51 H new ATOM 0 HG LEU A 190 -3.639 0.075 12.641 1.00 62.32 H new ATOM 0 HD11 LEU A 190 -5.476 -0.570 11.123 1.00 71.24 H new ATOM 0 HD12 LEU A 190 -4.067 0.053 10.232 1.00 71.24 H new ATOM 0 HD13 LEU A 190 -4.382 -1.698 10.288 1.00 71.24 H new ATOM 0 HD21 LEU A 190 -5.180 -1.748 13.276 1.00 3.31 H new ATOM 0 HD22 LEU A 190 -4.074 -2.932 12.540 1.00 3.31 H new ATOM 0 HD23 LEU A 190 -3.553 -1.988 13.956 1.00 3.31 H new ATOM 736 N ILE A 191 0.508 -2.630 11.951 1.00 3.21 N ATOM 737 CA ILE A 191 1.802 -3.028 11.375 1.00 65.14 C ATOM 738 C ILE A 191 1.608 -3.769 10.039 1.00 40.12 C ATOM 739 O ILE A 191 0.653 -4.535 9.876 1.00 50.54 O ATOM 740 CB ILE A 191 2.612 -3.933 12.345 1.00 4.40 C ATOM 741 CG1 ILE A 191 1.780 -5.159 12.769 1.00 21.00 C ATOM 742 CG2 ILE A 191 3.075 -3.135 13.565 1.00 2.04 C ATOM 743 CD1 ILE A 191 2.514 -6.110 13.695 1.00 41.41 C ATOM 0 H ILE A 191 -0.194 -3.370 11.946 1.00 3.21 H new ATOM 0 HA ILE A 191 2.363 -2.109 11.204 1.00 65.14 H new ATOM 0 HB ILE A 191 3.497 -4.293 11.821 1.00 4.40 H new ATOM 0 HG12 ILE A 191 0.871 -4.816 13.263 1.00 21.00 H new ATOM 0 HG13 ILE A 191 1.471 -5.703 11.876 1.00 21.00 H new ATOM 0 HG21 ILE A 191 3.640 -3.786 14.232 1.00 2.04 H new ATOM 0 HG22 ILE A 191 3.708 -2.309 13.241 1.00 2.04 H new ATOM 0 HG23 ILE A 191 2.207 -2.740 14.093 1.00 2.04 H new ATOM 0 HD11 ILE A 191 1.863 -6.947 13.948 1.00 41.41 H new ATOM 0 HD12 ILE A 191 3.409 -6.484 13.197 1.00 41.41 H new ATOM 0 HD13 ILE A 191 2.799 -5.583 14.606 1.00 41.41 H new ATOM 755 N PRO A 192 2.519 -3.562 9.063 1.00 41.42 N ATOM 756 CA PRO A 192 2.426 -4.202 7.733 1.00 35.12 C ATOM 757 C PRO A 192 2.370 -5.737 7.809 1.00 52.13 C ATOM 758 O PRO A 192 1.759 -6.394 6.964 1.00 43.33 O ATOM 759 CB PRO A 192 3.710 -3.740 7.016 1.00 75.34 C ATOM 760 CG PRO A 192 4.614 -3.255 8.102 1.00 34.55 C ATOM 761 CD PRO A 192 3.709 -2.697 9.165 1.00 64.15 C ATOM 0 HA PRO A 192 1.509 -3.918 7.217 1.00 35.12 H new ATOM 0 HB2 PRO A 192 4.167 -4.559 6.460 1.00 75.34 H new ATOM 0 HB3 PRO A 192 3.497 -2.948 6.298 1.00 75.34 H new ATOM 0 HG2 PRO A 192 5.225 -4.068 8.495 1.00 34.55 H new ATOM 0 HG3 PRO A 192 5.298 -2.492 7.730 1.00 34.55 H new ATOM 0 HD2 PRO A 192 4.165 -2.750 10.154 1.00 64.15 H new ATOM 0 HD3 PRO A 192 3.466 -1.650 8.982 1.00 64.15 H new ATOM 769 N GLU A 193 2.995 -6.293 8.844 1.00 32.13 N ATOM 770 CA GLU A 193 3.057 -7.745 9.041 1.00 2.41 C ATOM 771 C GLU A 193 1.652 -8.374 9.136 1.00 14.34 C ATOM 772 O GLU A 193 1.440 -9.510 8.711 1.00 74.02 O ATOM 773 CB GLU A 193 3.848 -8.064 10.320 1.00 32.41 C ATOM 774 CG GLU A 193 5.159 -7.288 10.469 1.00 2.44 C ATOM 775 CD GLU A 193 6.120 -7.492 9.307 1.00 15.33 C ATOM 776 OE1 GLU A 193 6.888 -8.476 9.322 1.00 52.15 O ATOM 777 OE2 GLU A 193 6.131 -6.651 8.387 1.00 13.42 O ATOM 0 H GLU A 193 3.472 -5.756 9.568 1.00 32.13 H new ATOM 0 HA GLU A 193 3.558 -8.173 8.173 1.00 2.41 H new ATOM 0 HB2 GLU A 193 3.217 -7.854 11.184 1.00 32.41 H new ATOM 0 HB3 GLU A 193 4.069 -9.131 10.338 1.00 32.41 H new ATOM 0 HG2 GLU A 193 4.935 -6.225 10.562 1.00 2.44 H new ATOM 0 HG3 GLU A 193 5.649 -7.593 11.394 1.00 2.44 H new ATOM 784 N CYS A 194 0.695 -7.620 9.686 1.00 54.51 N ATOM 785 CA CYS A 194 -0.663 -8.138 9.940 1.00 34.21 C ATOM 786 C CYS A 194 -1.700 -7.577 8.947 1.00 51.13 C ATOM 787 O CYS A 194 -2.906 -7.773 9.114 1.00 60.41 O ATOM 788 CB CYS A 194 -1.082 -7.796 11.377 1.00 2.21 C ATOM 789 SG CYS A 194 -2.692 -8.460 11.868 1.00 51.43 S ATOM 0 H CYS A 194 0.831 -6.648 9.966 1.00 54.51 H new ATOM 0 HA CYS A 194 -0.634 -9.219 9.802 1.00 34.21 H new ATOM 0 HB2 CYS A 194 -0.323 -8.173 12.063 1.00 2.21 H new ATOM 0 HB3 CYS A 194 -1.101 -6.712 11.488 1.00 2.21 H new ATOM 0 HG CYS A 194 -3.523 -8.364 10.873 1.00 51.43 H new ATOM 795 N CYS A 195 -1.232 -6.896 7.904 1.00 3.14 N ATOM 796 CA CYS A 195 -2.131 -6.282 6.912 1.00 30.50 C ATOM 797 C CYS A 195 -1.915 -6.870 5.515 1.00 74.52 C ATOM 798 O CYS A 195 -0.929 -7.565 5.265 1.00 73.23 O ATOM 799 CB CYS A 195 -1.925 -4.761 6.879 1.00 25.45 C ATOM 800 SG CYS A 195 -2.247 -3.936 8.457 1.00 4.11 S ATOM 0 H CYS A 195 -0.240 -6.752 7.718 1.00 3.14 H new ATOM 0 HA CYS A 195 -3.155 -6.501 7.213 1.00 30.50 H new ATOM 0 HB2 CYS A 195 -0.900 -4.551 6.574 1.00 25.45 H new ATOM 0 HB3 CYS A 195 -2.578 -4.333 6.118 1.00 25.45 H new ATOM 0 HG CYS A 195 -1.203 -4.043 9.224 1.00 4.11 H new ATOM 806 N ALA A 196 -2.844 -6.590 4.606 1.00 22.10 N ATOM 807 CA ALA A 196 -2.761 -7.080 3.227 1.00 73.12 C ATOM 808 C ALA A 196 -3.019 -5.956 2.220 1.00 50.33 C ATOM 809 O ALA A 196 -3.908 -5.124 2.415 1.00 43.21 O ATOM 810 CB ALA A 196 -3.758 -8.212 3.015 1.00 32.24 C ATOM 0 H ALA A 196 -3.670 -6.023 4.798 1.00 22.10 H new ATOM 0 HA ALA A 196 -1.750 -7.454 3.062 1.00 73.12 H new ATOM 0 HB1 ALA A 196 -3.689 -8.570 1.988 1.00 32.24 H new ATOM 0 HB2 ALA A 196 -3.532 -9.029 3.700 1.00 32.24 H new ATOM 0 HB3 ALA A 196 -4.768 -7.848 3.206 1.00 32.24 H new ATOM 816 N VAL A 197 -2.238 -5.939 1.143 1.00 54.41 N ATOM 817 CA VAL A 197 -2.376 -4.919 0.091 1.00 63.42 C ATOM 818 C VAL A 197 -2.909 -5.531 -1.211 1.00 71.32 C ATOM 819 O VAL A 197 -2.414 -6.557 -1.669 1.00 30.32 O ATOM 820 CB VAL A 197 -1.018 -4.229 -0.216 1.00 52.51 C ATOM 821 CG1 VAL A 197 -1.173 -3.169 -1.310 1.00 52.44 C ATOM 822 CG2 VAL A 197 -0.420 -3.618 1.047 1.00 40.24 C ATOM 0 H VAL A 197 -1.499 -6.620 0.970 1.00 54.41 H new ATOM 0 HA VAL A 197 -3.083 -4.180 0.469 1.00 63.42 H new ATOM 0 HB VAL A 197 -0.332 -4.993 -0.582 1.00 52.51 H new ATOM 0 HG11 VAL A 197 -0.207 -2.703 -1.504 1.00 52.44 H new ATOM 0 HG12 VAL A 197 -1.539 -3.639 -2.223 1.00 52.44 H new ATOM 0 HG13 VAL A 197 -1.883 -2.410 -0.983 1.00 52.44 H new ATOM 0 HG21 VAL A 197 0.530 -3.141 0.806 1.00 40.24 H new ATOM 0 HG22 VAL A 197 -1.107 -2.875 1.452 1.00 40.24 H new ATOM 0 HG23 VAL A 197 -0.255 -4.401 1.787 1.00 40.24 H new ATOM 832 N TYR A 198 -3.916 -4.898 -1.809 1.00 3.14 N ATOM 833 CA TYR A 198 -4.407 -5.313 -3.128 1.00 52.15 C ATOM 834 C TYR A 198 -4.721 -4.100 -4.013 1.00 45.33 C ATOM 835 O TYR A 198 -5.128 -3.041 -3.527 1.00 62.31 O ATOM 836 CB TYR A 198 -5.648 -6.216 -3.000 1.00 4.34 C ATOM 837 CG TYR A 198 -6.852 -5.555 -2.354 1.00 61.51 C ATOM 838 CD1 TYR A 198 -7.030 -5.589 -0.973 1.00 2.14 C ATOM 839 CD2 TYR A 198 -7.814 -4.899 -3.122 1.00 50.23 C ATOM 840 CE1 TYR A 198 -8.128 -4.995 -0.381 1.00 43.45 C ATOM 841 CE2 TYR A 198 -8.909 -4.303 -2.536 1.00 50.25 C ATOM 842 CZ TYR A 198 -9.061 -4.353 -1.165 1.00 73.14 C ATOM 843 OH TYR A 198 -10.155 -3.756 -0.577 1.00 12.52 O ATOM 0 H TYR A 198 -4.408 -4.100 -1.407 1.00 3.14 H new ATOM 0 HA TYR A 198 -3.612 -5.886 -3.605 1.00 52.15 H new ATOM 0 HB2 TYR A 198 -5.931 -6.563 -3.994 1.00 4.34 H new ATOM 0 HB3 TYR A 198 -5.380 -7.098 -2.418 1.00 4.34 H new ATOM 0 HD1 TYR A 198 -6.298 -6.088 -0.355 1.00 2.14 H new ATOM 0 HD2 TYR A 198 -7.698 -4.858 -4.195 1.00 50.23 H new ATOM 0 HE1 TYR A 198 -8.254 -5.034 0.691 1.00 43.45 H new ATOM 0 HE2 TYR A 198 -9.644 -3.799 -3.146 1.00 50.25 H new ATOM 0 HH TYR A 198 -10.715 -3.346 -1.269 1.00 12.52 H new ATOM 853 N ARG A 199 -4.509 -4.254 -5.316 1.00 14.31 N ATOM 854 CA ARG A 199 -4.860 -3.216 -6.286 1.00 1.51 C ATOM 855 C ARG A 199 -5.937 -3.727 -7.243 1.00 61.54 C ATOM 856 O ARG A 199 -6.226 -4.921 -7.287 1.00 64.13 O ATOM 857 CB ARG A 199 -3.639 -2.788 -7.110 1.00 12.13 C ATOM 858 CG ARG A 199 -3.121 -3.872 -8.061 1.00 61.11 C ATOM 859 CD ARG A 199 -2.399 -3.267 -9.259 1.00 22.43 C ATOM 860 NE ARG A 199 -3.302 -2.439 -10.061 1.00 45.24 N ATOM 861 CZ ARG A 199 -2.922 -1.661 -11.035 1.00 2.14 C ATOM 862 NH1 ARG A 199 -1.675 -1.596 -11.390 1.00 41.32 N ATOM 863 NH2 ARG A 199 -3.803 -0.966 -11.674 1.00 2.24 N ATOM 0 H ARG A 199 -4.094 -5.090 -5.728 1.00 14.31 H new ATOM 0 HA ARG A 199 -5.232 -2.359 -5.725 1.00 1.51 H new ATOM 0 HB2 ARG A 199 -3.897 -1.902 -7.690 1.00 12.13 H new ATOM 0 HB3 ARG A 199 -2.837 -2.501 -6.430 1.00 12.13 H new ATOM 0 HG2 ARG A 199 -2.443 -4.535 -7.523 1.00 61.11 H new ATOM 0 HG3 ARG A 199 -3.955 -4.482 -8.408 1.00 61.11 H new ATOM 0 HD2 ARG A 199 -1.559 -2.664 -8.914 1.00 22.43 H new ATOM 0 HD3 ARG A 199 -1.986 -4.064 -9.878 1.00 22.43 H new ATOM 0 HE ARG A 199 -4.298 -2.474 -9.842 1.00 45.24 H new ATOM 0 HH11 ARG A 199 -0.977 -2.159 -10.905 1.00 41.32 H new ATOM 0 HH12 ARG A 199 -1.394 -0.982 -12.154 1.00 41.32 H new ATOM 0 HH21 ARG A 199 -4.788 -1.028 -11.415 1.00 2.24 H new ATOM 0 HH22 ARG A 199 -3.514 -0.355 -12.438 1.00 2.24 H new ATOM 877 N ILE A 200 -6.506 -2.829 -8.027 1.00 63.23 N ATOM 878 CA ILE A 200 -7.467 -3.216 -9.055 1.00 14.31 C ATOM 879 C ILE A 200 -6.808 -3.164 -10.439 1.00 43.40 C ATOM 880 O ILE A 200 -6.377 -2.105 -10.900 1.00 23.54 O ATOM 881 CB ILE A 200 -8.725 -2.320 -9.018 1.00 71.14 C ATOM 882 CG1 ILE A 200 -9.354 -2.377 -7.613 1.00 0.43 C ATOM 883 CG2 ILE A 200 -9.729 -2.757 -10.088 1.00 63.04 C ATOM 884 CD1 ILE A 200 -10.601 -1.538 -7.458 1.00 64.22 C ATOM 0 H ILE A 200 -6.322 -1.827 -7.975 1.00 63.23 H new ATOM 0 HA ILE A 200 -7.786 -4.239 -8.853 1.00 14.31 H new ATOM 0 HB ILE A 200 -8.440 -1.290 -9.234 1.00 71.14 H new ATOM 0 HG12 ILE A 200 -9.595 -3.413 -7.377 1.00 0.43 H new ATOM 0 HG13 ILE A 200 -8.615 -2.048 -6.883 1.00 0.43 H new ATOM 0 HG21 ILE A 200 -10.608 -2.114 -10.046 1.00 63.04 H new ATOM 0 HG22 ILE A 200 -9.268 -2.678 -11.073 1.00 63.04 H new ATOM 0 HG23 ILE A 200 -10.026 -3.790 -9.908 1.00 63.04 H new ATOM 0 HD11 ILE A 200 -10.980 -1.634 -6.441 1.00 64.22 H new ATOM 0 HD12 ILE A 200 -10.364 -0.493 -7.660 1.00 64.22 H new ATOM 0 HD13 ILE A 200 -11.360 -1.880 -8.162 1.00 64.22 H new ATOM 896 N GLN A 201 -6.701 -4.325 -11.076 1.00 24.35 N ATOM 897 CA GLN A 201 -6.040 -4.450 -12.376 1.00 64.33 C ATOM 898 C GLN A 201 -6.926 -5.242 -13.349 1.00 75.43 C ATOM 899 O GLN A 201 -7.278 -6.392 -13.080 1.00 72.13 O ATOM 900 CB GLN A 201 -4.667 -5.132 -12.191 1.00 24.33 C ATOM 901 CG GLN A 201 -3.815 -5.229 -13.462 1.00 54.55 C ATOM 902 CD GLN A 201 -4.135 -6.441 -14.331 1.00 50.14 C ATOM 903 OE1 GLN A 201 -4.501 -7.550 -13.711 1.00 35.45 O flip ATOM 904 NE2 GLN A 201 -4.030 -6.390 -15.549 1.00 3.42 N flip ATOM 0 H GLN A 201 -7.067 -5.204 -10.710 1.00 24.35 H new ATOM 0 HA GLN A 201 -5.882 -3.459 -12.802 1.00 64.33 H new ATOM 0 HB2 GLN A 201 -4.104 -4.583 -11.436 1.00 24.33 H new ATOM 0 HB3 GLN A 201 -4.827 -6.137 -11.801 1.00 24.33 H new ATOM 0 HG2 GLN A 201 -3.957 -4.324 -14.052 1.00 54.55 H new ATOM 0 HG3 GLN A 201 -2.763 -5.264 -13.180 1.00 54.55 H new ATOM 0 HE21 GLN A 201 -3.746 -5.521 -16.000 1.00 3.42 H new ATOM 0 HE22 GLN A 201 -4.227 -7.217 -16.113 1.00 3.42 H new ATOM 913 N ASP A 202 -7.304 -4.605 -14.459 1.00 52.31 N ATOM 914 CA ASP A 202 -8.161 -5.225 -15.480 1.00 61.33 C ATOM 915 C ASP A 202 -9.524 -5.657 -14.892 1.00 4.44 C ATOM 916 O ASP A 202 -10.181 -6.569 -15.399 1.00 3.41 O ATOM 917 CB ASP A 202 -7.430 -6.415 -16.127 1.00 24.41 C ATOM 918 CG ASP A 202 -8.072 -6.851 -17.432 1.00 4.11 C ATOM 919 OD1 ASP A 202 -8.223 -5.999 -18.333 1.00 64.32 O ATOM 920 OD2 ASP A 202 -8.411 -8.043 -17.571 1.00 23.23 O ATOM 0 H ASP A 202 -7.028 -3.648 -14.678 1.00 52.31 H new ATOM 0 HA ASP A 202 -8.368 -4.482 -16.250 1.00 61.33 H new ATOM 0 HB2 ASP A 202 -6.391 -6.143 -16.310 1.00 24.41 H new ATOM 0 HB3 ASP A 202 -7.422 -7.254 -15.431 1.00 24.41 H new ATOM 925 N GLY A 203 -9.955 -4.968 -13.832 1.00 10.33 N ATOM 926 CA GLY A 203 -11.235 -5.275 -13.190 1.00 54.12 C ATOM 927 C GLY A 203 -11.133 -6.310 -12.070 1.00 65.24 C ATOM 928 O GLY A 203 -12.145 -6.696 -11.479 1.00 44.10 O ATOM 0 H GLY A 203 -9.440 -4.199 -13.403 1.00 10.33 H new ATOM 0 HA2 GLY A 203 -11.657 -4.355 -12.784 1.00 54.12 H new ATOM 0 HA3 GLY A 203 -11.931 -5.639 -13.946 1.00 54.12 H new ATOM 932 N GLU A 204 -9.918 -6.765 -11.776 1.00 42.42 N ATOM 933 CA GLU A 204 -9.696 -7.770 -10.727 1.00 33.12 C ATOM 934 C GLU A 204 -8.855 -7.207 -9.573 1.00 64.13 C ATOM 935 O GLU A 204 -7.818 -6.581 -9.799 1.00 2.20 O ATOM 936 CB GLU A 204 -8.983 -8.995 -11.312 1.00 63.22 C ATOM 937 CG GLU A 204 -9.705 -9.642 -12.487 1.00 14.32 C ATOM 938 CD GLU A 204 -8.912 -10.790 -13.084 1.00 35.21 C ATOM 939 OE1 GLU A 204 -7.953 -10.523 -13.839 1.00 51.04 O ATOM 940 OE2 GLU A 204 -9.215 -11.960 -12.775 1.00 24.21 O ATOM 0 H GLU A 204 -9.068 -6.456 -12.247 1.00 42.42 H new ATOM 0 HA GLU A 204 -10.673 -8.055 -10.338 1.00 33.12 H new ATOM 0 HB2 GLU A 204 -7.984 -8.700 -11.633 1.00 63.22 H new ATOM 0 HB3 GLU A 204 -8.858 -9.738 -10.524 1.00 63.22 H new ATOM 0 HG2 GLU A 204 -10.678 -10.007 -12.157 1.00 14.32 H new ATOM 0 HG3 GLU A 204 -9.890 -8.892 -13.256 1.00 14.32 H new ATOM 947 N LYS A 205 -9.297 -7.443 -8.341 1.00 14.35 N ATOM 948 CA LYS A 205 -8.528 -7.043 -7.157 1.00 12.24 C ATOM 949 C LYS A 205 -7.376 -8.027 -6.893 1.00 64.43 C ATOM 950 O LYS A 205 -7.576 -9.102 -6.332 1.00 31.12 O ATOM 951 CB LYS A 205 -9.436 -6.941 -5.921 1.00 53.35 C ATOM 952 CG LYS A 205 -10.530 -5.889 -6.059 1.00 14.21 C ATOM 953 CD LYS A 205 -11.374 -5.770 -4.793 1.00 72.44 C ATOM 954 CE LYS A 205 -12.503 -4.756 -4.960 1.00 44.31 C ATOM 955 NZ LYS A 205 -13.512 -5.195 -5.963 1.00 21.22 N ATOM 0 H LYS A 205 -10.181 -7.908 -8.132 1.00 14.35 H new ATOM 0 HA LYS A 205 -8.103 -6.059 -7.353 1.00 12.24 H new ATOM 0 HB2 LYS A 205 -9.897 -7.912 -5.737 1.00 53.35 H new ATOM 0 HB3 LYS A 205 -8.825 -6.707 -5.049 1.00 53.35 H new ATOM 0 HG2 LYS A 205 -10.078 -4.923 -6.285 1.00 14.21 H new ATOM 0 HG3 LYS A 205 -11.174 -6.144 -6.901 1.00 14.21 H new ATOM 0 HD2 LYS A 205 -11.794 -6.744 -4.543 1.00 72.44 H new ATOM 0 HD3 LYS A 205 -10.739 -5.473 -3.959 1.00 72.44 H new ATOM 0 HE2 LYS A 205 -12.993 -4.600 -3.999 1.00 44.31 H new ATOM 0 HE3 LYS A 205 -12.085 -3.797 -5.264 1.00 44.31 H new ATOM 0 HZ1 LYS A 205 -14.346 -4.576 -5.910 1.00 21.22 H new ATOM 0 HZ2 LYS A 205 -13.100 -5.140 -6.916 1.00 21.22 H new ATOM 0 HZ3 LYS A 205 -13.795 -6.176 -5.764 1.00 21.22 H new ATOM 969 N LYS A 206 -6.178 -7.650 -7.325 1.00 72.14 N ATOM 970 CA LYS A 206 -4.986 -8.496 -7.179 1.00 42.41 C ATOM 971 C LYS A 206 -4.200 -8.164 -5.894 1.00 65.21 C ATOM 972 O LYS A 206 -3.625 -7.076 -5.774 1.00 2.24 O ATOM 973 CB LYS A 206 -4.073 -8.329 -8.406 1.00 52.13 C ATOM 974 CG LYS A 206 -4.621 -8.956 -9.690 1.00 74.12 C ATOM 975 CD LYS A 206 -4.739 -10.479 -9.570 1.00 63.14 C ATOM 976 CE LYS A 206 -4.955 -11.155 -10.922 1.00 31.40 C ATOM 977 NZ LYS A 206 -6.241 -10.761 -11.550 1.00 72.43 N ATOM 0 H LYS A 206 -6.000 -6.757 -7.784 1.00 72.14 H new ATOM 0 HA LYS A 206 -5.321 -9.531 -7.106 1.00 42.41 H new ATOM 0 HB2 LYS A 206 -3.906 -7.266 -8.578 1.00 52.13 H new ATOM 0 HB3 LYS A 206 -3.102 -8.773 -8.185 1.00 52.13 H new ATOM 0 HG2 LYS A 206 -5.600 -8.531 -9.914 1.00 74.12 H new ATOM 0 HG3 LYS A 206 -3.967 -8.706 -10.525 1.00 74.12 H new ATOM 0 HD2 LYS A 206 -3.834 -10.875 -9.109 1.00 63.14 H new ATOM 0 HD3 LYS A 206 -5.569 -10.725 -8.907 1.00 63.14 H new ATOM 0 HE2 LYS A 206 -4.133 -10.897 -11.590 1.00 31.40 H new ATOM 0 HE3 LYS A 206 -4.933 -12.237 -10.792 1.00 31.40 H new ATOM 0 HZ1 LYS A 206 -6.399 -11.332 -12.405 1.00 72.43 H new ATOM 0 HZ2 LYS A 206 -7.019 -10.921 -10.878 1.00 72.43 H new ATOM 0 HZ3 LYS A 206 -6.207 -9.754 -11.808 1.00 72.43 H new ATOM 991 N PRO A 207 -4.176 -9.093 -4.912 1.00 60.42 N ATOM 992 CA PRO A 207 -3.396 -8.927 -3.669 1.00 74.41 C ATOM 993 C PRO A 207 -1.875 -8.920 -3.919 1.00 43.23 C ATOM 994 O PRO A 207 -1.282 -9.950 -4.253 1.00 2.23 O ATOM 995 CB PRO A 207 -3.802 -10.146 -2.814 1.00 11.34 C ATOM 996 CG PRO A 207 -5.052 -10.666 -3.447 1.00 23.23 C ATOM 997 CD PRO A 207 -4.922 -10.361 -4.914 1.00 15.24 C ATOM 0 HA PRO A 207 -3.604 -7.970 -3.190 1.00 74.41 H new ATOM 0 HB2 PRO A 207 -3.018 -10.903 -2.809 1.00 11.34 H new ATOM 0 HB3 PRO A 207 -3.975 -9.860 -1.777 1.00 11.34 H new ATOM 0 HG2 PRO A 207 -5.160 -11.737 -3.278 1.00 23.23 H new ATOM 0 HG3 PRO A 207 -5.934 -10.186 -3.024 1.00 23.23 H new ATOM 0 HD2 PRO A 207 -4.385 -11.147 -5.446 1.00 15.24 H new ATOM 0 HD3 PRO A 207 -5.895 -10.258 -5.395 1.00 15.24 H new ATOM 1005 N ILE A 208 -1.255 -7.757 -3.742 1.00 44.24 N ATOM 1006 CA ILE A 208 0.175 -7.579 -4.015 1.00 1.35 C ATOM 1007 C ILE A 208 1.040 -7.895 -2.786 1.00 23.25 C ATOM 1008 O ILE A 208 0.702 -7.520 -1.662 1.00 61.22 O ATOM 1009 CB ILE A 208 0.469 -6.129 -4.476 1.00 23.10 C ATOM 1010 CG1 ILE A 208 -0.338 -5.800 -5.740 1.00 41.12 C ATOM 1011 CG2 ILE A 208 1.967 -5.923 -4.718 1.00 31.23 C ATOM 1012 CD1 ILE A 208 -0.119 -4.395 -6.249 1.00 12.20 C ATOM 0 H ILE A 208 -1.722 -6.914 -3.408 1.00 44.24 H new ATOM 0 HA ILE A 208 0.431 -8.280 -4.809 1.00 1.35 H new ATOM 0 HB ILE A 208 0.164 -5.448 -3.682 1.00 23.10 H new ATOM 0 HG12 ILE A 208 -0.072 -6.508 -6.525 1.00 41.12 H new ATOM 0 HG13 ILE A 208 -1.398 -5.940 -5.531 1.00 41.12 H new ATOM 0 HG21 ILE A 208 2.146 -4.897 -5.041 1.00 31.23 H new ATOM 0 HG22 ILE A 208 2.514 -6.114 -3.795 1.00 31.23 H new ATOM 0 HG23 ILE A 208 2.309 -6.611 -5.491 1.00 31.23 H new ATOM 0 HD11 ILE A 208 -0.721 -4.234 -7.143 1.00 12.20 H new ATOM 0 HD12 ILE A 208 -0.413 -3.680 -5.481 1.00 12.20 H new ATOM 0 HD13 ILE A 208 0.935 -4.256 -6.491 1.00 12.20 H new ATOM 1024 N GLY A 209 2.159 -8.578 -3.013 1.00 4.00 N ATOM 1025 CA GLY A 209 3.088 -8.881 -1.934 1.00 33.30 C ATOM 1026 C GLY A 209 3.774 -7.641 -1.364 1.00 52.50 C ATOM 1027 O GLY A 209 4.186 -6.755 -2.112 1.00 12.43 O ATOM 0 H GLY A 209 2.441 -8.929 -3.928 1.00 4.00 H new ATOM 0 HA2 GLY A 209 2.552 -9.391 -1.134 1.00 33.30 H new ATOM 0 HA3 GLY A 209 3.847 -9.572 -2.300 1.00 33.30 H new ATOM 1031 N TRP A 210 3.911 -7.583 -0.038 1.00 62.24 N ATOM 1032 CA TRP A 210 4.590 -6.463 0.632 1.00 51.34 C ATOM 1033 C TRP A 210 6.049 -6.317 0.162 1.00 24.14 C ATOM 1034 O TRP A 210 6.641 -5.240 0.260 1.00 54.52 O ATOM 1035 CB TRP A 210 4.555 -6.658 2.151 1.00 34.41 C ATOM 1036 CG TRP A 210 3.192 -6.471 2.757 1.00 35.12 C ATOM 1037 CD1 TRP A 210 2.245 -7.429 2.986 1.00 3.03 C ATOM 1038 CD2 TRP A 210 2.631 -5.240 3.216 1.00 70.41 C ATOM 1039 NE1 TRP A 210 1.133 -6.862 3.560 1.00 31.23 N ATOM 1040 CE2 TRP A 210 1.348 -5.519 3.714 1.00 5.43 C ATOM 1041 CE3 TRP A 210 3.096 -3.927 3.256 1.00 42.31 C ATOM 1042 CZ2 TRP A 210 0.524 -4.529 4.244 1.00 61.41 C ATOM 1043 CZ3 TRP A 210 2.282 -2.945 3.781 1.00 44.23 C ATOM 1044 CH2 TRP A 210 1.008 -3.250 4.273 1.00 53.22 C ATOM 0 H TRP A 210 3.561 -8.299 0.598 1.00 62.24 H new ATOM 0 HA TRP A 210 4.057 -5.550 0.366 1.00 51.34 H new ATOM 0 HB2 TRP A 210 4.913 -7.660 2.387 1.00 34.41 H new ATOM 0 HB3 TRP A 210 5.247 -5.955 2.614 1.00 34.41 H new ATOM 0 HD1 TRP A 210 2.354 -8.477 2.751 1.00 3.03 H new ATOM 0 HE1 TRP A 210 0.285 -7.361 3.828 1.00 31.23 H new ATOM 0 HE3 TRP A 210 4.079 -3.682 2.882 1.00 42.31 H new ATOM 0 HZ2 TRP A 210 -0.462 -4.763 4.619 1.00 61.41 H new ATOM 0 HZ3 TRP A 210 2.634 -1.924 3.813 1.00 44.23 H new ATOM 0 HH2 TRP A 210 0.395 -2.461 4.683 1.00 53.22 H new ATOM 1055 N ASP A 211 6.610 -7.409 -0.349 1.00 31.24 N ATOM 1056 CA ASP A 211 7.992 -7.443 -0.847 1.00 21.14 C ATOM 1057 C ASP A 211 8.152 -6.678 -2.178 1.00 13.34 C ATOM 1058 O ASP A 211 9.270 -6.416 -2.630 1.00 55.12 O ATOM 1059 CB ASP A 211 8.417 -8.903 -1.037 1.00 21.14 C ATOM 1060 CG ASP A 211 7.502 -9.640 -2.005 1.00 62.51 C ATOM 1061 OD1 ASP A 211 6.411 -10.086 -1.581 1.00 1.03 O ATOM 1062 OD2 ASP A 211 7.853 -9.754 -3.198 1.00 21.32 O ATOM 0 H ASP A 211 6.122 -8.301 -0.432 1.00 31.24 H new ATOM 0 HA ASP A 211 8.628 -6.950 -0.112 1.00 21.14 H new ATOM 0 HB2 ASP A 211 9.441 -8.937 -1.408 1.00 21.14 H new ATOM 0 HB3 ASP A 211 8.410 -9.411 -0.073 1.00 21.14 H new ATOM 1067 N THR A 212 7.028 -6.326 -2.793 1.00 43.40 N ATOM 1068 CA THR A 212 7.025 -5.689 -4.116 1.00 23.33 C ATOM 1069 C THR A 212 7.436 -4.212 -4.041 1.00 53.31 C ATOM 1070 O THR A 212 6.977 -3.475 -3.172 1.00 12.53 O ATOM 1071 CB THR A 212 5.626 -5.783 -4.770 1.00 12.53 C ATOM 1072 OG1 THR A 212 5.146 -7.136 -4.710 1.00 24.11 O ATOM 1073 CG2 THR A 212 5.659 -5.328 -6.224 1.00 72.33 C ATOM 0 H THR A 212 6.099 -6.470 -2.398 1.00 43.40 H new ATOM 0 HA THR A 212 7.754 -6.227 -4.722 1.00 23.33 H new ATOM 0 HB THR A 212 4.957 -5.125 -4.216 1.00 12.53 H new ATOM 0 HG1 THR A 212 4.715 -7.292 -3.844 1.00 24.11 H new ATOM 0 HG21 THR A 212 4.660 -5.407 -6.653 1.00 72.33 H new ATOM 0 HG22 THR A 212 5.994 -4.292 -6.274 1.00 72.33 H new ATOM 0 HG23 THR A 212 6.346 -5.959 -6.787 1.00 72.33 H new ATOM 1081 N ASP A 213 8.308 -3.790 -4.956 1.00 20.53 N ATOM 1082 CA ASP A 213 8.724 -2.385 -5.052 1.00 12.45 C ATOM 1083 C ASP A 213 7.535 -1.465 -5.373 1.00 5.11 C ATOM 1084 O ASP A 213 6.818 -1.681 -6.353 1.00 2.02 O ATOM 1085 CB ASP A 213 9.798 -2.223 -6.135 1.00 2.02 C ATOM 1086 CG ASP A 213 11.073 -2.976 -5.814 1.00 25.51 C ATOM 1087 OD1 ASP A 213 11.051 -4.224 -5.813 1.00 41.25 O ATOM 1088 OD2 ASP A 213 12.108 -2.321 -5.566 1.00 4.21 O ATOM 0 H ASP A 213 8.744 -4.402 -5.646 1.00 20.53 H new ATOM 0 HA ASP A 213 9.131 -2.097 -4.083 1.00 12.45 H new ATOM 0 HB2 ASP A 213 9.403 -2.576 -7.088 1.00 2.02 H new ATOM 0 HB3 ASP A 213 10.027 -1.164 -6.257 1.00 2.02 H new ATOM 1093 N ILE A 214 7.345 -0.422 -4.562 1.00 5.53 N ATOM 1094 CA ILE A 214 6.260 0.543 -4.788 1.00 4.42 C ATOM 1095 C ILE A 214 6.417 1.254 -6.149 1.00 50.32 C ATOM 1096 O ILE A 214 5.446 1.747 -6.724 1.00 60.04 O ATOM 1097 CB ILE A 214 6.194 1.599 -3.650 1.00 41.31 C ATOM 1098 CG1 ILE A 214 4.973 2.519 -3.832 1.00 10.10 C ATOM 1099 CG2 ILE A 214 7.486 2.415 -3.592 1.00 73.22 C ATOM 1100 CD1 ILE A 214 4.815 3.559 -2.741 1.00 14.31 C ATOM 0 H ILE A 214 7.924 -0.222 -3.746 1.00 5.53 H new ATOM 0 HA ILE A 214 5.328 -0.022 -4.793 1.00 4.42 H new ATOM 0 HB ILE A 214 6.084 1.072 -2.702 1.00 41.31 H new ATOM 0 HG12 ILE A 214 5.053 3.026 -4.794 1.00 10.10 H new ATOM 0 HG13 ILE A 214 4.072 1.907 -3.869 1.00 10.10 H new ATOM 0 HG21 ILE A 214 7.418 3.148 -2.788 1.00 73.22 H new ATOM 0 HG22 ILE A 214 8.329 1.749 -3.405 1.00 73.22 H new ATOM 0 HG23 ILE A 214 7.634 2.930 -4.541 1.00 73.22 H new ATOM 0 HD11 ILE A 214 3.933 4.166 -2.942 1.00 14.31 H new ATOM 0 HD12 ILE A 214 4.701 3.062 -1.778 1.00 14.31 H new ATOM 0 HD13 ILE A 214 5.698 4.198 -2.717 1.00 14.31 H new ATOM 1112 N SER A 215 7.653 1.275 -6.662 1.00 53.31 N ATOM 1113 CA SER A 215 7.958 1.866 -7.979 1.00 1.31 C ATOM 1114 C SER A 215 7.093 1.260 -9.098 1.00 22.23 C ATOM 1115 O SER A 215 6.791 1.923 -10.094 1.00 4.14 O ATOM 1116 CB SER A 215 9.446 1.675 -8.317 1.00 51.03 C ATOM 1117 OG SER A 215 9.767 2.222 -9.589 1.00 2.25 O ATOM 0 H SER A 215 8.466 0.887 -6.184 1.00 53.31 H new ATOM 0 HA SER A 215 7.728 2.930 -7.916 1.00 1.31 H new ATOM 0 HB2 SER A 215 10.058 2.151 -7.551 1.00 51.03 H new ATOM 0 HB3 SER A 215 9.689 0.613 -8.305 1.00 51.03 H new ATOM 0 HG SER A 215 10.720 2.085 -9.773 1.00 2.25 H new ATOM 1123 N TRP A 216 6.690 0.000 -8.926 1.00 52.04 N ATOM 1124 CA TRP A 216 5.829 -0.685 -9.902 1.00 1.11 C ATOM 1125 C TRP A 216 4.412 -0.087 -9.921 1.00 52.20 C ATOM 1126 O TRP A 216 3.711 -0.144 -10.930 1.00 74.23 O ATOM 1127 CB TRP A 216 5.730 -2.180 -9.562 1.00 73.44 C ATOM 1128 CG TRP A 216 7.017 -2.946 -9.692 1.00 63.22 C ATOM 1129 CD1 TRP A 216 8.282 -2.510 -9.404 1.00 25.35 C ATOM 1130 CD2 TRP A 216 7.153 -4.305 -10.128 1.00 42.33 C ATOM 1131 NE1 TRP A 216 9.190 -3.511 -9.645 1.00 4.34 N ATOM 1132 CE2 TRP A 216 8.523 -4.621 -10.088 1.00 32.04 C ATOM 1133 CE3 TRP A 216 6.247 -5.287 -10.555 1.00 54.30 C ATOM 1134 CZ2 TRP A 216 9.010 -5.872 -10.450 1.00 63.13 C ATOM 1135 CZ3 TRP A 216 6.735 -6.531 -10.914 1.00 4.04 C ATOM 1136 CH2 TRP A 216 8.105 -6.812 -10.861 1.00 53.03 C ATOM 0 H TRP A 216 6.944 -0.571 -8.120 1.00 52.04 H new ATOM 0 HA TRP A 216 6.280 -0.551 -10.885 1.00 1.11 H new ATOM 0 HB2 TRP A 216 5.365 -2.282 -8.540 1.00 73.44 H new ATOM 0 HB3 TRP A 216 4.985 -2.637 -10.213 1.00 73.44 H new ATOM 0 HD1 TRP A 216 8.529 -1.524 -9.041 1.00 25.35 H new ATOM 0 HE1 TRP A 216 10.199 -3.439 -9.515 1.00 4.34 H new ATOM 0 HE3 TRP A 216 5.189 -5.076 -10.603 1.00 54.30 H new ATOM 0 HZ2 TRP A 216 10.066 -6.094 -10.408 1.00 63.13 H new ATOM 0 HZ3 TRP A 216 6.048 -7.297 -11.240 1.00 4.04 H new ATOM 0 HH2 TRP A 216 8.455 -7.792 -11.151 1.00 53.03 H new ATOM 1147 N LEU A 217 4.007 0.488 -8.793 1.00 72.33 N ATOM 1148 CA LEU A 217 2.628 0.951 -8.593 1.00 50.44 C ATOM 1149 C LEU A 217 2.515 2.482 -8.670 1.00 45.11 C ATOM 1150 O LEU A 217 1.475 3.056 -8.342 1.00 21.05 O ATOM 1151 CB LEU A 217 2.138 0.447 -7.231 1.00 53.55 C ATOM 1152 CG LEU A 217 2.290 -1.069 -7.022 1.00 53.33 C ATOM 1153 CD1 LEU A 217 1.918 -1.471 -5.600 1.00 43.01 C ATOM 1154 CD2 LEU A 217 1.452 -1.836 -8.042 1.00 65.42 C ATOM 0 H LEU A 217 4.618 0.648 -7.992 1.00 72.33 H new ATOM 0 HA LEU A 217 2.006 0.550 -9.393 1.00 50.44 H new ATOM 0 HB2 LEU A 217 2.687 0.967 -6.446 1.00 53.55 H new ATOM 0 HB3 LEU A 217 1.088 0.714 -7.115 1.00 53.55 H new ATOM 0 HG LEU A 217 3.338 -1.327 -7.174 1.00 53.33 H new ATOM 0 HD11 LEU A 217 2.036 -2.548 -5.484 1.00 43.01 H new ATOM 0 HD12 LEU A 217 2.570 -0.957 -4.894 1.00 43.01 H new ATOM 0 HD13 LEU A 217 0.882 -1.196 -5.403 1.00 43.01 H new ATOM 0 HD21 LEU A 217 1.572 -2.907 -7.879 1.00 65.42 H new ATOM 0 HD22 LEU A 217 0.402 -1.566 -7.927 1.00 65.42 H new ATOM 0 HD23 LEU A 217 1.783 -1.583 -9.049 1.00 65.42 H new ATOM 1166 N THR A 218 3.589 3.131 -9.118 1.00 55.13 N ATOM 1167 CA THR A 218 3.635 4.597 -9.241 1.00 54.50 C ATOM 1168 C THR A 218 2.418 5.155 -10.002 1.00 44.31 C ATOM 1169 O THR A 218 2.188 4.809 -11.164 1.00 3.42 O ATOM 1170 CB THR A 218 4.926 5.048 -9.971 1.00 32.42 C ATOM 1171 OG1 THR A 218 6.083 4.553 -9.282 1.00 31.02 O ATOM 1172 CG2 THR A 218 5.010 6.569 -10.070 1.00 20.34 C ATOM 0 H THR A 218 4.449 2.664 -9.406 1.00 55.13 H new ATOM 0 HA THR A 218 3.622 4.992 -8.225 1.00 54.50 H new ATOM 0 HB THR A 218 4.893 4.638 -10.980 1.00 32.42 H new ATOM 0 HG1 THR A 218 6.296 3.652 -9.605 1.00 31.02 H new ATOM 0 HG21 THR A 218 5.927 6.850 -10.587 1.00 20.34 H new ATOM 0 HG22 THR A 218 4.151 6.946 -10.625 1.00 20.34 H new ATOM 0 HG23 THR A 218 5.012 6.999 -9.069 1.00 20.34 H new ATOM 1180 N GLY A 219 1.635 6.003 -9.334 1.00 73.05 N ATOM 1181 CA GLY A 219 0.493 6.651 -9.979 1.00 12.41 C ATOM 1182 C GLY A 219 -0.841 5.950 -9.730 1.00 61.32 C ATOM 1183 O GLY A 219 -1.902 6.567 -9.859 1.00 75.35 O ATOM 0 H GLY A 219 1.769 6.256 -8.355 1.00 73.05 H new ATOM 0 HA2 GLY A 219 0.423 7.679 -9.624 1.00 12.41 H new ATOM 0 HA3 GLY A 219 0.673 6.696 -11.053 1.00 12.41 H new ATOM 1187 N GLU A 220 -0.801 4.669 -9.372 1.00 4.32 N ATOM 1188 CA GLU A 220 -2.028 3.884 -9.176 1.00 55.24 C ATOM 1189 C GLU A 220 -2.592 4.023 -7.752 1.00 15.14 C ATOM 1190 O GLU A 220 -1.973 4.625 -6.871 1.00 73.01 O ATOM 1191 CB GLU A 220 -1.775 2.404 -9.501 1.00 5.45 C ATOM 1192 CG GLU A 220 -1.391 2.147 -10.956 1.00 32.42 C ATOM 1193 CD GLU A 220 -2.488 2.517 -11.950 1.00 23.03 C ATOM 1194 OE1 GLU A 220 -2.586 3.707 -12.324 1.00 40.32 O ATOM 1195 OE2 GLU A 220 -3.251 1.620 -12.370 1.00 22.41 O ATOM 0 H GLU A 220 0.062 4.149 -9.211 1.00 4.32 H new ATOM 0 HA GLU A 220 -2.775 4.284 -9.862 1.00 55.24 H new ATOM 0 HB2 GLU A 220 -0.981 2.031 -8.855 1.00 5.45 H new ATOM 0 HB3 GLU A 220 -2.673 1.832 -9.266 1.00 5.45 H new ATOM 0 HG2 GLU A 220 -0.491 2.715 -11.192 1.00 32.42 H new ATOM 0 HG3 GLU A 220 -1.143 1.093 -11.077 1.00 32.42 H new ATOM 1202 N GLU A 221 -3.786 3.467 -7.542 1.00 41.11 N ATOM 1203 CA GLU A 221 -4.458 3.526 -6.238 1.00 13.41 C ATOM 1204 C GLU A 221 -4.517 2.138 -5.578 1.00 11.11 C ATOM 1205 O GLU A 221 -5.101 1.202 -6.130 1.00 15.32 O ATOM 1206 CB GLU A 221 -5.879 4.080 -6.406 1.00 0.23 C ATOM 1207 CG GLU A 221 -5.938 5.384 -7.197 1.00 42.42 C ATOM 1208 CD GLU A 221 -7.337 5.974 -7.276 1.00 44.23 C ATOM 1209 OE1 GLU A 221 -8.297 5.218 -7.525 1.00 74.51 O ATOM 1210 OE2 GLU A 221 -7.476 7.206 -7.105 1.00 70.22 O ATOM 0 H GLU A 221 -4.311 2.968 -8.260 1.00 41.11 H new ATOM 0 HA GLU A 221 -3.882 4.188 -5.591 1.00 13.41 H new ATOM 0 HB2 GLU A 221 -6.494 3.333 -6.907 1.00 0.23 H new ATOM 0 HB3 GLU A 221 -6.315 4.243 -5.420 1.00 0.23 H new ATOM 0 HG2 GLU A 221 -5.269 6.111 -6.736 1.00 42.42 H new ATOM 0 HG3 GLU A 221 -5.568 5.206 -8.207 1.00 42.42 H new ATOM 1217 N LEU A 222 -3.918 2.012 -4.397 1.00 51.20 N ATOM 1218 CA LEU A 222 -3.903 0.741 -3.661 1.00 53.13 C ATOM 1219 C LEU A 222 -5.007 0.705 -2.599 1.00 32.33 C ATOM 1220 O LEU A 222 -5.465 1.742 -2.131 1.00 2.43 O ATOM 1221 CB LEU A 222 -2.541 0.532 -2.985 1.00 1.44 C ATOM 1222 CG LEU A 222 -1.331 0.563 -3.928 1.00 25.23 C ATOM 1223 CD1 LEU A 222 -0.035 0.351 -3.149 1.00 75.11 C ATOM 1224 CD2 LEU A 222 -1.482 -0.482 -5.031 1.00 14.31 C ATOM 0 H LEU A 222 -3.434 2.775 -3.924 1.00 51.20 H new ATOM 0 HA LEU A 222 -4.081 -0.060 -4.379 1.00 53.13 H new ATOM 0 HB2 LEU A 222 -2.409 1.302 -2.225 1.00 1.44 H new ATOM 0 HB3 LEU A 222 -2.554 -0.427 -2.468 1.00 1.44 H new ATOM 0 HG LEU A 222 -1.286 1.546 -4.397 1.00 25.23 H new ATOM 0 HD11 LEU A 222 0.811 0.376 -3.836 1.00 75.11 H new ATOM 0 HD12 LEU A 222 0.077 1.141 -2.407 1.00 75.11 H new ATOM 0 HD13 LEU A 222 -0.066 -0.616 -2.647 1.00 75.11 H new ATOM 0 HD21 LEU A 222 -0.614 -0.444 -5.689 1.00 14.31 H new ATOM 0 HD22 LEU A 222 -1.556 -1.474 -4.585 1.00 14.31 H new ATOM 0 HD23 LEU A 222 -2.384 -0.275 -5.607 1.00 14.31 H new ATOM 1236 N HIS A 223 -5.439 -0.493 -2.227 1.00 33.03 N ATOM 1237 CA HIS A 223 -6.418 -0.665 -1.150 1.00 3.12 C ATOM 1238 C HIS A 223 -5.890 -1.667 -0.115 1.00 43.53 C ATOM 1239 O HIS A 223 -5.595 -2.815 -0.446 1.00 32.12 O ATOM 1240 CB HIS A 223 -7.765 -1.133 -1.718 1.00 25.32 C ATOM 1241 CG HIS A 223 -8.390 -0.163 -2.679 1.00 53.50 C ATOM 1242 ND1 HIS A 223 -9.421 0.685 -2.332 1.00 44.02 N ATOM 1243 CD2 HIS A 223 -8.127 0.090 -3.986 1.00 31.32 C ATOM 1244 CE1 HIS A 223 -9.762 1.413 -3.375 1.00 64.03 C ATOM 1245 NE2 HIS A 223 -8.994 1.075 -4.388 1.00 24.41 N ATOM 0 H HIS A 223 -5.128 -1.366 -2.654 1.00 33.03 H new ATOM 0 HA HIS A 223 -6.572 0.296 -0.658 1.00 3.12 H new ATOM 0 HB2 HIS A 223 -7.623 -2.089 -2.222 1.00 25.32 H new ATOM 0 HB3 HIS A 223 -8.455 -1.308 -0.893 1.00 25.32 H new ATOM 0 HD2 HIS A 223 -7.377 -0.393 -4.595 1.00 31.32 H new ATOM 0 HE1 HIS A 223 -10.541 2.161 -3.395 1.00 64.03 H new ATOM 0 HE2 HIS A 223 -9.036 1.480 -5.323 1.00 24.41 H new ATOM 1254 N VAL A 224 -5.753 -1.222 1.130 1.00 24.15 N ATOM 1255 CA VAL A 224 -5.177 -2.048 2.195 1.00 33.00 C ATOM 1256 C VAL A 224 -6.200 -2.344 3.300 1.00 20.44 C ATOM 1257 O VAL A 224 -6.995 -1.484 3.677 1.00 62.12 O ATOM 1258 CB VAL A 224 -3.940 -1.349 2.822 1.00 45.20 C ATOM 1259 CG1 VAL A 224 -3.297 -2.224 3.896 1.00 60.12 C ATOM 1260 CG2 VAL A 224 -2.926 -0.984 1.740 1.00 13.32 C ATOM 0 H VAL A 224 -6.034 -0.289 1.431 1.00 24.15 H new ATOM 0 HA VAL A 224 -4.875 -2.991 1.739 1.00 33.00 H new ATOM 0 HB VAL A 224 -4.278 -0.430 3.301 1.00 45.20 H new ATOM 0 HG11 VAL A 224 -2.434 -1.708 4.317 1.00 60.12 H new ATOM 0 HG12 VAL A 224 -4.022 -2.422 4.686 1.00 60.12 H new ATOM 0 HG13 VAL A 224 -2.976 -3.167 3.453 1.00 60.12 H new ATOM 0 HG21 VAL A 224 -2.066 -0.495 2.197 1.00 13.32 H new ATOM 0 HG22 VAL A 224 -2.599 -1.889 1.228 1.00 13.32 H new ATOM 0 HG23 VAL A 224 -3.388 -0.307 1.022 1.00 13.32 H new ATOM 1270 N GLU A 225 -6.175 -3.571 3.813 1.00 13.50 N ATOM 1271 CA GLU A 225 -7.020 -3.951 4.949 1.00 34.21 C ATOM 1272 C GLU A 225 -6.285 -4.935 5.868 1.00 55.24 C ATOM 1273 O GLU A 225 -5.306 -5.565 5.467 1.00 0.02 O ATOM 1274 CB GLU A 225 -8.352 -4.553 4.467 1.00 31.32 C ATOM 1275 CG GLU A 225 -8.209 -5.813 3.619 1.00 4.41 C ATOM 1276 CD GLU A 225 -9.558 -6.397 3.220 1.00 1.15 C ATOM 1277 OE1 GLU A 225 -10.174 -7.096 4.051 1.00 14.55 O ATOM 1278 OE2 GLU A 225 -10.021 -6.135 2.087 1.00 32.33 O ATOM 0 H GLU A 225 -5.580 -4.322 3.462 1.00 13.50 H new ATOM 0 HA GLU A 225 -7.242 -3.049 5.519 1.00 34.21 H new ATOM 0 HB2 GLU A 225 -8.967 -4.784 5.337 1.00 31.32 H new ATOM 0 HB3 GLU A 225 -8.888 -3.800 3.889 1.00 31.32 H new ATOM 0 HG2 GLU A 225 -7.636 -5.581 2.721 1.00 4.41 H new ATOM 0 HG3 GLU A 225 -7.642 -6.560 4.175 1.00 4.41 H new ATOM 1285 N VAL A 226 -6.751 -5.055 7.107 1.00 34.22 N ATOM 1286 CA VAL A 226 -6.113 -5.938 8.091 1.00 15.15 C ATOM 1287 C VAL A 226 -6.567 -7.395 7.906 1.00 10.21 C ATOM 1288 O VAL A 226 -7.742 -7.658 7.650 1.00 1.32 O ATOM 1289 CB VAL A 226 -6.419 -5.477 9.541 1.00 52.11 C ATOM 1290 CG1 VAL A 226 -5.656 -6.327 10.558 1.00 24.15 C ATOM 1291 CG2 VAL A 226 -6.090 -3.993 9.718 1.00 12.32 C ATOM 0 H VAL A 226 -7.567 -4.554 7.458 1.00 34.22 H new ATOM 0 HA VAL A 226 -5.037 -5.881 7.924 1.00 15.15 H new ATOM 0 HB VAL A 226 -7.485 -5.614 9.721 1.00 52.11 H new ATOM 0 HG11 VAL A 226 -5.888 -5.984 11.566 1.00 24.15 H new ATOM 0 HG12 VAL A 226 -5.951 -7.371 10.454 1.00 24.15 H new ATOM 0 HG13 VAL A 226 -4.585 -6.233 10.380 1.00 24.15 H new ATOM 0 HG21 VAL A 226 -6.312 -3.691 10.741 1.00 12.32 H new ATOM 0 HG22 VAL A 226 -5.032 -3.828 9.512 1.00 12.32 H new ATOM 0 HG23 VAL A 226 -6.691 -3.402 9.027 1.00 12.32 H new ATOM 1301 N LEU A 227 -5.629 -8.336 8.028 1.00 23.03 N ATOM 1302 CA LEU A 227 -5.929 -9.764 7.846 1.00 21.21 C ATOM 1303 C LEU A 227 -6.976 -10.264 8.858 1.00 25.13 C ATOM 1304 O LEU A 227 -7.891 -11.010 8.502 1.00 71.14 O ATOM 1305 CB LEU A 227 -4.631 -10.579 7.940 1.00 64.22 C ATOM 1306 CG LEU A 227 -3.643 -10.337 6.781 1.00 52.54 C ATOM 1307 CD1 LEU A 227 -2.298 -11.010 7.045 1.00 63.24 C ATOM 1308 CD2 LEU A 227 -4.239 -10.831 5.463 1.00 73.40 C ATOM 0 H LEU A 227 -4.654 -8.138 8.252 1.00 23.03 H new ATOM 0 HA LEU A 227 -6.363 -9.900 6.856 1.00 21.21 H new ATOM 0 HB2 LEU A 227 -4.134 -10.341 8.881 1.00 64.22 H new ATOM 0 HB3 LEU A 227 -4.883 -11.639 7.971 1.00 64.22 H new ATOM 0 HG LEU A 227 -3.468 -9.264 6.708 1.00 52.54 H new ATOM 0 HD11 LEU A 227 -1.625 -10.820 6.209 1.00 63.24 H new ATOM 0 HD12 LEU A 227 -1.863 -10.607 7.960 1.00 63.24 H new ATOM 0 HD13 LEU A 227 -2.444 -12.084 7.155 1.00 63.24 H new ATOM 0 HD21 LEU A 227 -3.530 -10.654 4.654 1.00 73.40 H new ATOM 0 HD22 LEU A 227 -4.447 -11.898 5.535 1.00 73.40 H new ATOM 0 HD23 LEU A 227 -5.165 -10.294 5.258 1.00 73.40 H new