USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 187 CYS SG : rot -29:sc= -0.266 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -0.139 K(o=-1.2,f=-2.8) USER MOD Set 1.3: A 207 HIS : no HE2:sc= -0.76 K(o=-1.2,f=-4.7) USER MOD Set 2.1: A 184 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.41) USER MOD Set 2.2: A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 175 CYS SG : rot -144:sc= 0.278 USER MOD Set 3.2: A 178 HIS : no HD1:sc= -1.39 K(o=-0.76,f=-1.5) USER MOD Set 3.3: A 195 CYS SG : rot -98:sc= 0.209 USER MOD Set 3.4: A 198 CYS SG : rot 136:sc= 0.145 USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 165:sc= -1.63 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.512 5.636 -2.054 1.00 63.35 N ATOM 99 CA MET A 174 17.480 5.311 -1.014 1.00 43.21 C ATOM 100 C MET A 174 18.824 4.921 -1.623 1.00 75.31 C ATOM 101 O MET A 174 18.990 5.037 -2.837 1.00 75.20 O ATOM 102 CB MET A 174 16.956 4.175 -0.134 1.00 70.35 C ATOM 103 CG MET A 174 15.662 4.511 0.587 1.00 40.52 C ATOM 104 SD MET A 174 14.272 3.508 0.026 1.00 3.51 S ATOM 105 CE MET A 174 12.997 4.756 -0.135 1.00 21.11 C ATOM 0 HA MET A 174 17.624 6.199 -0.399 1.00 43.21 H new ATOM 0 HB2 MET A 174 16.799 3.291 -0.752 1.00 70.35 H new ATOM 0 HB3 MET A 174 17.716 3.917 0.603 1.00 70.35 H new ATOM 0 HG2 MET A 174 15.800 4.367 1.659 1.00 40.52 H new ATOM 0 HG3 MET A 174 15.429 5.565 0.435 1.00 40.52 H new ATOM 0 HE1 MET A 174 12.072 4.290 -0.475 1.00 21.11 H new ATOM 0 HE2 MET A 174 12.829 5.232 0.831 1.00 21.11 H new ATOM 0 HE3 MET A 174 13.312 5.507 -0.859 1.00 21.11 H new ATOM 115 N CYS A 175 19.741 4.471 -0.780 1.00 1.23 N ATOM 116 CA CYS A 175 21.056 4.070 -1.249 1.00 31.32 C ATOM 117 C CYS A 175 20.929 2.704 -1.925 1.00 20.41 C ATOM 118 O CYS A 175 19.964 1.965 -1.727 1.00 34.51 O ATOM 119 CB CYS A 175 22.081 4.051 -0.113 1.00 11.23 C ATOM 120 SG CYS A 175 23.653 4.800 -0.674 1.00 51.52 S ATOM 0 H CYS A 175 19.599 4.375 0.226 1.00 1.23 H new ATOM 0 HA CYS A 175 21.425 4.799 -1.971 1.00 31.32 H new ATOM 0 HB2 CYS A 175 21.694 4.599 0.746 1.00 11.23 H new ATOM 0 HB3 CYS A 175 22.254 3.026 0.215 1.00 11.23 H new ATOM 0 HG CYS A 175 24.652 4.171 -0.129 1.00 51.52 H new ATOM 125 N LEU A 176 21.932 2.382 -2.734 1.00 22.53 N ATOM 126 CA LEU A 176 21.959 1.112 -3.452 1.00 70.32 C ATOM 127 C LEU A 176 22.204 -0.051 -2.496 1.00 15.21 C ATOM 128 O LEU A 176 21.456 -1.028 -2.489 1.00 25.22 O ATOM 129 CB LEU A 176 23.042 1.137 -4.531 1.00 24.43 C ATOM 130 CG LEU A 176 22.654 1.788 -5.859 1.00 24.40 C ATOM 131 CD1 LEU A 176 22.461 3.285 -5.682 1.00 55.12 C ATOM 132 CD2 LEU A 176 23.707 1.505 -6.920 1.00 22.22 C ATOM 0 H LEU A 176 22.738 2.983 -2.909 1.00 22.53 H new ATOM 0 HA LEU A 176 20.987 0.970 -3.924 1.00 70.32 H new ATOM 0 HB2 LEU A 176 23.911 1.661 -4.133 1.00 24.43 H new ATOM 0 HB3 LEU A 176 23.352 0.111 -4.730 1.00 24.43 H new ATOM 0 HG LEU A 176 21.709 1.357 -6.191 1.00 24.40 H new ATOM 0 HD11 LEU A 176 22.185 3.732 -6.637 1.00 55.12 H new ATOM 0 HD12 LEU A 176 21.670 3.466 -4.955 1.00 55.12 H new ATOM 0 HD13 LEU A 176 23.390 3.732 -5.327 1.00 55.12 H new ATOM 0 HD21 LEU A 176 23.414 1.976 -7.858 1.00 22.22 H new ATOM 0 HD22 LEU A 176 24.667 1.907 -6.596 1.00 22.22 H new ATOM 0 HD23 LEU A 176 23.796 0.429 -7.067 1.00 22.22 H new ATOM 144 N GLU A 177 23.252 0.065 -1.688 1.00 25.21 N ATOM 145 CA GLU A 177 23.594 -0.976 -0.726 1.00 34.23 C ATOM 146 C GLU A 177 22.787 -0.816 0.559 1.00 15.43 C ATOM 147 O GLU A 177 22.407 -1.800 1.194 1.00 34.00 O ATOM 148 CB GLU A 177 25.090 -0.939 -0.409 1.00 64.33 C ATOM 149 CG GLU A 177 25.963 -1.479 -1.529 1.00 61.43 C ATOM 150 CD GLU A 177 27.350 -0.867 -1.537 1.00 12.35 C ATOM 151 OE1 GLU A 177 28.235 -1.396 -0.834 1.00 3.42 O ATOM 152 OE2 GLU A 177 27.549 0.143 -2.245 1.00 24.31 O ATOM 0 H GLU A 177 23.879 0.869 -1.680 1.00 25.21 H new ATOM 0 HA GLU A 177 23.349 -1.940 -1.172 1.00 34.23 H new ATOM 0 HB2 GLU A 177 25.382 0.089 -0.196 1.00 64.33 H new ATOM 0 HB3 GLU A 177 25.275 -1.518 0.496 1.00 64.33 H new ATOM 0 HG2 GLU A 177 26.048 -2.561 -1.428 1.00 61.43 H new ATOM 0 HG3 GLU A 177 25.479 -1.285 -2.486 1.00 61.43 H new ATOM 159 N HIS A 178 22.530 0.433 0.937 1.00 13.31 N ATOM 160 CA HIS A 178 21.769 0.724 2.148 1.00 44.10 C ATOM 161 C HIS A 178 20.292 0.925 1.826 1.00 60.12 C ATOM 162 O HIS A 178 19.865 2.027 1.486 1.00 5.44 O ATOM 163 CB HIS A 178 22.327 1.969 2.838 1.00 0.14 C ATOM 164 CG HIS A 178 23.814 1.940 3.017 1.00 52.53 C ATOM 165 ND1 HIS A 178 24.659 2.865 2.440 1.00 34.22 N ATOM 166 CD2 HIS A 178 24.606 1.092 3.713 1.00 31.33 C ATOM 167 CE1 HIS A 178 25.906 2.586 2.773 1.00 4.41 C ATOM 168 NE2 HIS A 178 25.902 1.515 3.546 1.00 70.13 N ATOM 0 H HIS A 178 22.837 1.259 0.423 1.00 13.31 H new ATOM 0 HA HIS A 178 21.863 -0.128 2.821 1.00 44.10 H new ATOM 0 HB2 HIS A 178 22.057 2.849 2.255 1.00 0.14 H new ATOM 0 HB3 HIS A 178 21.854 2.076 3.814 1.00 0.14 H new ATOM 0 HD2 HIS A 178 24.280 0.241 4.292 1.00 31.33 H new ATOM 0 HE1 HIS A 178 26.781 3.140 2.465 1.00 4.41 H new ATOM 0 HE2 HIS A 178 26.727 1.074 3.953 1.00 70.13 H new ATOM 175 N GLU A 179 19.516 -0.149 1.936 1.00 34.30 N ATOM 176 CA GLU A 179 18.087 -0.090 1.654 1.00 74.01 C ATOM 177 C GLU A 179 17.320 0.469 2.849 1.00 73.10 C ATOM 178 O GLU A 179 16.219 1.000 2.701 1.00 61.34 O ATOM 179 CB GLU A 179 17.556 -1.481 1.299 1.00 43.23 C ATOM 180 CG GLU A 179 16.981 -1.572 -0.105 1.00 2.10 C ATOM 181 CD GLU A 179 15.738 -2.438 -0.170 1.00 73.23 C ATOM 182 OE1 GLU A 179 15.561 -3.293 0.722 1.00 25.32 O ATOM 183 OE2 GLU A 179 14.942 -2.261 -1.116 1.00 13.12 O ATOM 0 H GLU A 179 19.853 -1.069 2.218 1.00 34.30 H new ATOM 0 HA GLU A 179 17.938 0.576 0.804 1.00 74.01 H new ATOM 0 HB2 GLU A 179 18.364 -2.206 1.400 1.00 43.23 H new ATOM 0 HB3 GLU A 179 16.785 -1.761 2.017 1.00 43.23 H new ATOM 0 HG2 GLU A 179 16.741 -0.570 -0.461 1.00 2.10 H new ATOM 0 HG3 GLU A 179 17.737 -1.977 -0.778 1.00 2.10 H new ATOM 190 N ASP A 180 17.908 0.343 4.033 1.00 52.52 N ATOM 191 CA ASP A 180 17.281 0.835 5.254 1.00 33.01 C ATOM 192 C ASP A 180 17.787 2.232 5.600 1.00 2.31 C ATOM 193 O ASP A 180 17.929 2.578 6.773 1.00 52.34 O ATOM 194 CB ASP A 180 17.556 -0.122 6.415 1.00 75.01 C ATOM 195 CG ASP A 180 16.463 -0.089 7.465 1.00 75.04 C ATOM 196 OD1 ASP A 180 15.279 -0.237 7.094 1.00 31.01 O ATOM 197 OD2 ASP A 180 16.789 0.085 8.657 1.00 3.45 O ATOM 0 H ASP A 180 18.818 -0.096 4.173 1.00 52.52 H new ATOM 0 HA ASP A 180 16.206 0.889 5.084 1.00 33.01 H new ATOM 0 HB2 ASP A 180 17.655 -1.137 6.030 1.00 75.01 H new ATOM 0 HB3 ASP A 180 18.508 0.137 6.878 1.00 75.01 H new ATOM 202 N GLU A 181 18.057 3.030 4.572 1.00 23.41 N ATOM 203 CA GLU A 181 18.550 4.388 4.768 1.00 50.02 C ATOM 204 C GLU A 181 18.333 5.232 3.515 1.00 23.44 C ATOM 205 O GLU A 181 18.945 4.987 2.475 1.00 13.21 O ATOM 206 CB GLU A 181 20.036 4.369 5.132 1.00 31.32 C ATOM 207 CG GLU A 181 20.304 4.606 6.609 1.00 32.10 C ATOM 208 CD GLU A 181 21.221 5.788 6.853 1.00 22.31 C ATOM 209 OE1 GLU A 181 21.155 6.760 6.072 1.00 44.34 O ATOM 210 OE2 GLU A 181 22.006 5.741 7.823 1.00 30.43 O ATOM 0 H GLU A 181 17.943 2.760 3.595 1.00 23.41 H new ATOM 0 HA GLU A 181 17.989 4.835 5.588 1.00 50.02 H new ATOM 0 HB2 GLU A 181 20.460 3.407 4.844 1.00 31.32 H new ATOM 0 HB3 GLU A 181 20.554 5.132 4.550 1.00 31.32 H new ATOM 0 HG2 GLU A 181 19.358 4.773 7.124 1.00 32.10 H new ATOM 0 HG3 GLU A 181 20.749 3.710 7.042 1.00 32.10 H new ATOM 217 N LYS A 182 17.457 6.226 3.623 1.00 63.23 N ATOM 218 CA LYS A 182 17.158 7.106 2.500 1.00 71.05 C ATOM 219 C LYS A 182 18.326 8.048 2.221 1.00 61.34 C ATOM 220 O LYS A 182 19.026 8.474 3.139 1.00 44.14 O ATOM 221 CB LYS A 182 15.892 7.918 2.784 1.00 23.34 C ATOM 222 CG LYS A 182 16.027 8.858 3.970 1.00 55.13 C ATOM 223 CD LYS A 182 14.845 9.809 4.063 1.00 3.21 C ATOM 224 CE LYS A 182 14.831 10.551 5.391 1.00 31.14 C ATOM 225 NZ LYS A 182 14.458 11.983 5.223 1.00 24.30 N ATOM 0 H LYS A 182 16.942 6.442 4.477 1.00 63.23 H new ATOM 0 HA LYS A 182 16.995 6.486 1.619 1.00 71.05 H new ATOM 0 HB2 LYS A 182 15.636 8.499 1.898 1.00 23.34 H new ATOM 0 HB3 LYS A 182 15.064 7.233 2.966 1.00 23.34 H new ATOM 0 HG2 LYS A 182 16.102 8.277 4.889 1.00 55.13 H new ATOM 0 HG3 LYS A 182 16.950 9.431 3.879 1.00 55.13 H new ATOM 0 HD2 LYS A 182 14.889 10.527 3.244 1.00 3.21 H new ATOM 0 HD3 LYS A 182 13.917 9.250 3.947 1.00 3.21 H new ATOM 0 HE2 LYS A 182 14.126 10.069 6.069 1.00 31.14 H new ATOM 0 HE3 LYS A 182 15.815 10.484 5.855 1.00 31.14 H new ATOM 0 HZ1 LYS A 182 14.460 12.453 6.151 1.00 24.30 H new ATOM 0 HZ2 LYS A 182 15.145 12.449 4.597 1.00 24.30 H new ATOM 0 HZ3 LYS A 182 13.508 12.048 4.804 1.00 24.30 H new ATOM 239 N VAL A 183 18.529 8.370 0.947 1.00 63.52 N ATOM 240 CA VAL A 183 19.609 9.264 0.547 1.00 21.42 C ATOM 241 C VAL A 183 19.574 10.561 1.347 1.00 31.32 C ATOM 242 O VAL A 183 18.624 10.820 2.086 1.00 4.00 O ATOM 243 CB VAL A 183 19.535 9.597 -0.954 1.00 51.50 C ATOM 244 CG1 VAL A 183 19.778 8.350 -1.791 1.00 1.10 C ATOM 245 CG2 VAL A 183 18.192 10.224 -1.294 1.00 52.13 C ATOM 0 H VAL A 183 17.959 8.025 0.174 1.00 63.52 H new ATOM 0 HA VAL A 183 20.544 8.741 0.750 1.00 21.42 H new ATOM 0 HB VAL A 183 20.317 10.319 -1.187 1.00 51.50 H new ATOM 0 HG11 VAL A 183 19.722 8.605 -2.849 1.00 1.10 H new ATOM 0 HG12 VAL A 183 20.766 7.948 -1.567 1.00 1.10 H new ATOM 0 HG13 VAL A 183 19.020 7.602 -1.558 1.00 1.10 H new ATOM 0 HG21 VAL A 183 18.157 10.453 -2.359 1.00 52.13 H new ATOM 0 HG22 VAL A 183 17.392 9.527 -1.046 1.00 52.13 H new ATOM 0 HG23 VAL A 183 18.064 11.142 -0.721 1.00 52.13 H new ATOM 255 N ASN A 184 20.615 11.372 1.194 1.00 13.45 N ATOM 256 CA ASN A 184 20.703 12.644 1.903 1.00 51.42 C ATOM 257 C ASN A 184 21.092 13.772 0.951 1.00 31.44 C ATOM 258 O ASN A 184 20.587 14.889 1.057 1.00 21.23 O ATOM 259 CB ASN A 184 21.720 12.549 3.042 1.00 61.33 C ATOM 260 CG ASN A 184 21.296 13.339 4.265 1.00 60.24 C ATOM 261 OD1 ASN A 184 21.487 14.553 4.329 1.00 61.02 O ATOM 262 ND2 ASN A 184 20.717 12.651 5.242 1.00 63.22 N ATOM 0 H ASN A 184 21.409 11.172 0.586 1.00 13.45 H new ATOM 0 HA ASN A 184 19.721 12.867 2.320 1.00 51.42 H new ATOM 0 HB2 ASN A 184 21.856 11.503 3.318 1.00 61.33 H new ATOM 0 HB3 ASN A 184 22.686 12.915 2.694 1.00 61.33 H new ATOM 0 HD21 ASN A 184 20.410 13.128 6.089 1.00 63.22 H new ATOM 0 HD22 ASN A 184 20.579 11.645 5.145 1.00 63.22 H new ATOM 269 N MET A 185 21.993 13.469 0.022 1.00 13.11 N ATOM 270 CA MET A 185 22.449 14.456 -0.949 1.00 55.25 C ATOM 271 C MET A 185 23.039 13.775 -2.181 1.00 15.41 C ATOM 272 O MET A 185 22.921 12.561 -2.346 1.00 4.20 O ATOM 273 CB MET A 185 23.489 15.383 -0.317 1.00 21.31 C ATOM 274 CG MET A 185 23.155 16.859 -0.461 1.00 3.21 C ATOM 275 SD MET A 185 23.810 17.854 0.893 1.00 1.03 S ATOM 276 CE MET A 185 22.538 17.618 2.132 1.00 51.40 C ATOM 0 H MET A 185 22.421 12.549 -0.079 1.00 13.11 H new ATOM 0 HA MET A 185 21.588 15.047 -1.260 1.00 55.25 H new ATOM 0 HB2 MET A 185 23.583 15.142 0.742 1.00 21.31 H new ATOM 0 HB3 MET A 185 24.460 15.192 -0.775 1.00 21.31 H new ATOM 0 HG2 MET A 185 23.556 17.228 -1.405 1.00 3.21 H new ATOM 0 HG3 MET A 185 22.073 16.980 -0.505 1.00 3.21 H new ATOM 0 HE1 MET A 185 22.800 18.173 3.033 1.00 51.40 H new ATOM 0 HE2 MET A 185 21.584 17.979 1.748 1.00 51.40 H new ATOM 0 HE3 MET A 185 22.455 16.558 2.371 1.00 51.40 H new ATOM 286 N TYR A 186 23.671 14.566 -3.042 1.00 72.42 N ATOM 287 CA TYR A 186 24.276 14.038 -4.259 1.00 43.13 C ATOM 288 C TYR A 186 25.724 14.500 -4.391 1.00 10.12 C ATOM 289 O TYR A 186 25.987 15.698 -4.297 1.00 33.10 O ATOM 290 CB TYR A 186 23.474 14.480 -5.485 1.00 5.14 C ATOM 291 CG TYR A 186 24.077 14.029 -6.796 1.00 74.30 C ATOM 292 CD1 TYR A 186 23.738 12.803 -7.355 1.00 13.32 C ATOM 293 CD2 TYR A 186 24.985 14.830 -7.478 1.00 64.13 C ATOM 294 CE1 TYR A 186 24.285 12.387 -8.552 1.00 3.41 C ATOM 295 CE2 TYR A 186 25.537 14.423 -8.677 1.00 4.04 C ATOM 296 CZ TYR A 186 25.185 13.200 -9.210 1.00 41.21 C ATOM 297 OH TYR A 186 25.732 12.790 -10.403 1.00 44.05 O ATOM 0 H TYR A 186 23.777 15.573 -2.920 1.00 72.42 H new ATOM 0 HA TYR A 186 24.265 12.950 -4.199 1.00 43.13 H new ATOM 0 HB2 TYR A 186 22.460 14.088 -5.407 1.00 5.14 H new ATOM 0 HB3 TYR A 186 23.396 15.567 -5.485 1.00 5.14 H new ATOM 0 HD1 TYR A 186 23.034 12.164 -6.844 1.00 13.32 H new ATOM 0 HD2 TYR A 186 25.264 15.787 -7.063 1.00 64.13 H new ATOM 0 HE1 TYR A 186 24.010 11.430 -8.971 1.00 3.41 H new ATOM 0 HE2 TYR A 186 26.240 15.059 -9.194 1.00 4.04 H new ATOM 0 HH TYR A 186 26.149 13.555 -10.852 1.00 44.05 H new ATOM 307 N CYS A 187 26.623 13.550 -4.603 1.00 74.43 N ATOM 308 CA CYS A 187 28.033 13.871 -4.746 1.00 30.55 C ATOM 309 C CYS A 187 28.287 14.282 -6.197 1.00 1.53 C ATOM 310 O CYS A 187 28.243 13.473 -7.124 1.00 11.24 O ATOM 311 CB CYS A 187 28.925 12.703 -4.320 1.00 34.45 C ATOM 312 SG CYS A 187 29.755 13.096 -2.736 1.00 71.13 S ATOM 0 H CYS A 187 26.402 12.557 -4.679 1.00 74.43 H new ATOM 0 HA CYS A 187 28.289 14.699 -4.084 1.00 30.55 H new ATOM 0 HB2 CYS A 187 28.327 11.798 -4.212 1.00 34.45 H new ATOM 0 HB3 CYS A 187 29.670 12.503 -5.091 1.00 34.45 H new ATOM 0 HG CYS A 187 29.929 14.381 -2.645 1.00 71.13 H new ATOM 317 N VAL A 188 28.556 15.572 -6.376 1.00 33.35 N ATOM 318 CA VAL A 188 28.823 16.121 -7.701 1.00 34.25 C ATOM 319 C VAL A 188 30.220 15.742 -8.180 1.00 13.30 C ATOM 320 O VAL A 188 30.414 15.387 -9.344 1.00 21.23 O ATOM 321 CB VAL A 188 28.687 17.655 -7.710 1.00 25.31 C ATOM 322 CG1 VAL A 188 28.846 18.197 -9.123 1.00 21.44 C ATOM 323 CG2 VAL A 188 27.351 18.075 -7.116 1.00 75.43 C ATOM 0 H VAL A 188 28.595 16.256 -5.620 1.00 33.35 H new ATOM 0 HA VAL A 188 28.082 15.694 -8.377 1.00 34.25 H new ATOM 0 HB VAL A 188 29.481 18.076 -7.093 1.00 25.31 H new ATOM 0 HG11 VAL A 188 28.747 19.282 -9.110 1.00 21.44 H new ATOM 0 HG12 VAL A 188 29.830 17.927 -9.508 1.00 21.44 H new ATOM 0 HG13 VAL A 188 28.076 17.770 -9.765 1.00 21.44 H new ATOM 0 HG21 VAL A 188 27.272 19.162 -7.130 1.00 75.43 H new ATOM 0 HG22 VAL A 188 26.540 17.644 -7.704 1.00 75.43 H new ATOM 0 HG23 VAL A 188 27.282 17.720 -6.088 1.00 75.43 H new ATOM 333 N THR A 189 31.191 15.820 -7.277 1.00 63.01 N ATOM 334 CA THR A 189 32.572 15.488 -7.608 1.00 74.33 C ATOM 335 C THR A 189 32.664 14.117 -8.269 1.00 51.12 C ATOM 336 O THR A 189 33.370 13.943 -9.262 1.00 61.02 O ATOM 337 CB THR A 189 33.469 15.503 -6.356 1.00 30.13 C ATOM 338 OG1 THR A 189 34.777 15.023 -6.686 1.00 31.14 O ATOM 339 CG2 THR A 189 32.871 14.643 -5.251 1.00 42.54 C ATOM 0 H THR A 189 31.047 16.110 -6.310 1.00 63.01 H new ATOM 0 HA THR A 189 32.922 16.249 -8.305 1.00 74.33 H new ATOM 0 HB THR A 189 33.539 16.530 -5.998 1.00 30.13 H new ATOM 0 HG1 THR A 189 35.342 15.037 -5.885 1.00 31.14 H new ATOM 0 HG21 THR A 189 33.522 14.669 -4.377 1.00 42.54 H new ATOM 0 HG22 THR A 189 31.887 15.028 -4.982 1.00 42.54 H new ATOM 0 HG23 THR A 189 32.775 13.615 -5.601 1.00 42.54 H new ATOM 347 N ASP A 190 31.945 13.149 -7.713 1.00 22.30 N ATOM 348 CA ASP A 190 31.945 11.793 -8.251 1.00 33.51 C ATOM 349 C ASP A 190 30.735 11.566 -9.153 1.00 3.21 C ATOM 350 O ASP A 190 30.688 10.600 -9.914 1.00 21.53 O ATOM 351 CB ASP A 190 31.947 10.770 -7.113 1.00 34.22 C ATOM 352 CG ASP A 190 32.932 11.125 -6.017 1.00 21.11 C ATOM 353 OD1 ASP A 190 34.152 11.082 -6.281 1.00 3.35 O ATOM 354 OD2 ASP A 190 32.484 11.444 -4.896 1.00 73.14 O ATOM 0 H ASP A 190 31.355 13.277 -6.891 1.00 22.30 H new ATOM 0 HA ASP A 190 32.849 11.665 -8.846 1.00 33.51 H new ATOM 0 HB2 ASP A 190 30.945 10.701 -6.689 1.00 34.22 H new ATOM 0 HB3 ASP A 190 32.192 9.786 -7.513 1.00 34.22 H new ATOM 359 N ASP A 191 29.759 12.463 -9.062 1.00 2.23 N ATOM 360 CA ASP A 191 28.549 12.362 -9.869 1.00 3.12 C ATOM 361 C ASP A 191 27.777 11.090 -9.533 1.00 43.10 C ATOM 362 O ASP A 191 27.505 10.269 -10.409 1.00 42.41 O ATOM 363 CB ASP A 191 28.901 12.382 -11.357 1.00 63.34 C ATOM 364 CG ASP A 191 30.149 13.192 -11.646 1.00 42.25 C ATOM 365 OD1 ASP A 191 30.037 14.430 -11.769 1.00 62.41 O ATOM 366 OD2 ASP A 191 31.239 12.589 -11.751 1.00 15.32 O ATOM 0 H ASP A 191 29.783 13.269 -8.437 1.00 2.23 H new ATOM 0 HA ASP A 191 27.916 13.220 -9.641 1.00 3.12 H new ATOM 0 HB2 ASP A 191 29.046 11.360 -11.707 1.00 63.34 H new ATOM 0 HB3 ASP A 191 28.064 12.796 -11.920 1.00 63.34 H new ATOM 371 N GLN A 192 27.430 10.934 -8.260 1.00 75.13 N ATOM 372 CA GLN A 192 26.690 9.761 -7.809 1.00 75.44 C ATOM 373 C GLN A 192 25.976 10.041 -6.491 1.00 55.11 C ATOM 374 O GLN A 192 26.609 10.368 -5.487 1.00 24.32 O ATOM 375 CB GLN A 192 27.633 8.568 -7.648 1.00 30.41 C ATOM 376 CG GLN A 192 26.929 7.222 -7.707 1.00 74.04 C ATOM 377 CD GLN A 192 26.928 6.624 -9.100 1.00 63.21 C ATOM 378 OE1 GLN A 192 26.793 7.337 -10.094 1.00 43.23 O ATOM 379 NE2 GLN A 192 27.081 5.307 -9.179 1.00 1.00 N ATOM 0 H GLN A 192 27.649 11.604 -7.523 1.00 75.13 H new ATOM 0 HA GLN A 192 25.940 9.524 -8.564 1.00 75.44 H new ATOM 0 HB2 GLN A 192 28.391 8.607 -8.431 1.00 30.41 H new ATOM 0 HB3 GLN A 192 28.155 8.654 -6.695 1.00 30.41 H new ATOM 0 HG2 GLN A 192 27.417 6.531 -7.020 1.00 74.04 H new ATOM 0 HG3 GLN A 192 25.901 7.339 -7.365 1.00 74.04 H new ATOM 0 HE21 GLN A 192 27.190 4.754 -8.329 1.00 1.00 H new ATOM 0 HE22 GLN A 192 27.090 4.848 -10.090 1.00 1.00 H new ATOM 388 N LEU A 193 24.654 9.911 -6.501 1.00 54.24 N ATOM 389 CA LEU A 193 23.852 10.151 -5.306 1.00 53.13 C ATOM 390 C LEU A 193 24.382 9.345 -4.125 1.00 35.25 C ATOM 391 O LEU A 193 24.923 8.254 -4.299 1.00 24.31 O ATOM 392 CB LEU A 193 22.389 9.792 -5.569 1.00 34.11 C ATOM 393 CG LEU A 193 21.354 10.831 -5.138 1.00 42.03 C ATOM 394 CD1 LEU A 193 20.116 10.749 -6.017 1.00 72.24 C ATOM 395 CD2 LEU A 193 20.984 10.641 -3.674 1.00 32.40 C ATOM 0 H LEU A 193 24.115 9.641 -7.323 1.00 54.24 H new ATOM 0 HA LEU A 193 23.920 11.210 -5.059 1.00 53.13 H new ATOM 0 HB2 LEU A 193 22.267 9.609 -6.637 1.00 34.11 H new ATOM 0 HB3 LEU A 193 22.168 8.855 -5.058 1.00 34.11 H new ATOM 0 HG LEU A 193 21.793 11.822 -5.256 1.00 42.03 H new ATOM 0 HD11 LEU A 193 19.391 11.496 -5.695 1.00 72.24 H new ATOM 0 HD12 LEU A 193 20.393 10.936 -7.054 1.00 72.24 H new ATOM 0 HD13 LEU A 193 19.675 9.756 -5.933 1.00 72.24 H new ATOM 0 HD21 LEU A 193 20.246 11.390 -3.385 1.00 32.40 H new ATOM 0 HD22 LEU A 193 20.565 9.645 -3.531 1.00 32.40 H new ATOM 0 HD23 LEU A 193 21.875 10.752 -3.056 1.00 32.40 H new ATOM 407 N ILE A 194 24.219 9.889 -2.923 1.00 41.15 N ATOM 408 CA ILE A 194 24.679 9.219 -1.714 1.00 33.03 C ATOM 409 C ILE A 194 23.732 9.483 -0.546 1.00 61.44 C ATOM 410 O ILE A 194 22.737 10.183 -0.724 1.00 22.11 O ATOM 411 CB ILE A 194 26.097 9.674 -1.322 1.00 61.32 C ATOM 412 CG1 ILE A 194 26.182 11.201 -1.313 1.00 12.42 C ATOM 413 CG2 ILE A 194 27.124 9.087 -2.279 1.00 42.22 C ATOM 414 CD1 ILE A 194 26.679 11.770 -0.002 1.00 44.33 C ATOM 0 H ILE A 194 23.772 10.791 -2.761 1.00 41.15 H new ATOM 0 HA ILE A 194 24.697 8.151 -1.932 1.00 33.03 H new ATOM 0 HB ILE A 194 26.315 9.311 -0.318 1.00 61.32 H new ATOM 0 HG12 ILE A 194 26.845 11.525 -2.115 1.00 12.42 H new ATOM 0 HG13 ILE A 194 25.196 11.613 -1.528 1.00 12.42 H new ATOM 0 HG21 ILE A 194 28.122 9.417 -1.989 1.00 42.22 H new ATOM 0 HG22 ILE A 194 27.077 7.999 -2.241 1.00 42.22 H new ATOM 0 HG23 ILE A 194 26.910 9.424 -3.293 1.00 42.22 H new ATOM 0 HD11 ILE A 194 26.714 12.857 -0.067 1.00 44.33 H new ATOM 0 HD12 ILE A 194 26.004 11.476 0.801 1.00 44.33 H new ATOM 0 HD13 ILE A 194 27.678 11.387 0.206 1.00 44.33 H new ATOM 426 N CYS A 195 24.060 8.922 0.608 1.00 13.25 N ATOM 427 CA CYS A 195 23.234 9.105 1.790 1.00 12.32 C ATOM 428 C CYS A 195 24.124 9.614 2.925 1.00 52.51 C ATOM 429 O CYS A 195 25.311 9.886 2.751 1.00 4.04 O ATOM 430 CB CYS A 195 22.501 7.818 2.173 1.00 75.24 C ATOM 431 SG CYS A 195 23.705 6.550 2.714 1.00 11.01 S ATOM 0 H CYS A 195 24.886 8.341 0.750 1.00 13.25 H new ATOM 0 HA CYS A 195 22.456 9.840 1.582 1.00 12.32 H new ATOM 0 HB2 CYS A 195 21.789 8.020 2.973 1.00 75.24 H new ATOM 0 HB3 CYS A 195 21.929 7.449 1.322 1.00 75.24 H new ATOM 0 HG CYS A 195 23.951 5.737 1.730 1.00 11.01 H new ATOM 436 N ALA A 196 23.518 9.739 4.101 1.00 1.14 N ATOM 437 CA ALA A 196 24.231 10.209 5.283 1.00 45.35 C ATOM 438 C ALA A 196 25.183 9.142 5.809 1.00 4.32 C ATOM 439 O ALA A 196 26.245 9.454 6.351 1.00 12.11 O ATOM 440 CB ALA A 196 23.245 10.622 6.365 1.00 3.33 C ATOM 0 H ALA A 196 22.534 9.521 4.261 1.00 1.14 H new ATOM 0 HA ALA A 196 24.824 11.078 4.998 1.00 45.35 H new ATOM 0 HB1 ALA A 196 23.791 10.971 7.241 1.00 3.33 H new ATOM 0 HB2 ALA A 196 22.609 11.424 5.991 1.00 3.33 H new ATOM 0 HB3 ALA A 196 22.627 9.767 6.639 1.00 3.33 H new ATOM 446 N LEU A 197 24.798 7.881 5.649 1.00 71.14 N ATOM 447 CA LEU A 197 25.618 6.765 6.109 1.00 1.32 C ATOM 448 C LEU A 197 26.864 6.611 5.244 1.00 55.31 C ATOM 449 O LEU A 197 27.839 6.010 5.692 1.00 32.33 O ATOM 450 CB LEU A 197 24.806 5.469 6.091 1.00 23.21 C ATOM 451 CG LEU A 197 25.314 4.347 6.999 1.00 53.51 C ATOM 452 CD1 LEU A 197 24.210 3.876 7.934 1.00 50.34 C ATOM 453 CD2 LEU A 197 25.842 3.187 6.168 1.00 2.00 C ATOM 0 H LEU A 197 23.923 7.605 5.204 1.00 71.14 H new ATOM 0 HA LEU A 197 25.933 6.975 7.131 1.00 1.32 H new ATOM 0 HB2 LEU A 197 23.780 5.703 6.375 1.00 23.21 H new ATOM 0 HB3 LEU A 197 24.777 5.096 5.067 1.00 23.21 H new ATOM 0 HG LEU A 197 26.133 4.737 7.604 1.00 53.51 H new ATOM 0 HD11 LEU A 197 24.589 3.078 8.572 1.00 50.34 H new ATOM 0 HD12 LEU A 197 23.878 4.709 8.553 1.00 50.34 H new ATOM 0 HD13 LEU A 197 23.371 3.503 7.347 1.00 50.34 H new ATOM 0 HD21 LEU A 197 26.199 2.398 6.830 1.00 2.00 H new ATOM 0 HD22 LEU A 197 25.043 2.798 5.538 1.00 2.00 H new ATOM 0 HD23 LEU A 197 26.663 3.533 5.540 1.00 2.00 H new ATOM 465 N CYS A 198 26.807 7.154 4.036 1.00 4.21 N ATOM 466 CA CYS A 198 27.936 7.072 3.125 1.00 64.12 C ATOM 467 C CYS A 198 28.941 8.161 3.505 1.00 41.44 C ATOM 468 O CYS A 198 30.157 7.991 3.411 1.00 22.24 O ATOM 469 CB CYS A 198 27.495 7.186 1.665 1.00 54.43 C ATOM 470 SG CYS A 198 26.989 5.546 1.032 1.00 34.42 S ATOM 0 H CYS A 198 25.997 7.652 3.668 1.00 4.21 H new ATOM 0 HA CYS A 198 28.410 6.095 3.217 1.00 64.12 H new ATOM 0 HB2 CYS A 198 26.666 7.889 1.581 1.00 54.43 H new ATOM 0 HB3 CYS A 198 28.311 7.582 1.060 1.00 54.43 H new ATOM 0 HG CYS A 198 25.891 5.665 0.347 1.00 34.42 H new ATOM 475 N LYS A 199 28.402 9.295 3.941 1.00 70.43 N ATOM 476 CA LYS A 199 29.225 10.428 4.344 1.00 40.40 C ATOM 477 C LYS A 199 29.829 10.199 5.725 1.00 61.52 C ATOM 478 O LYS A 199 30.759 10.896 6.132 1.00 5.23 O ATOM 479 CB LYS A 199 28.393 11.714 4.348 1.00 71.24 C ATOM 480 CG LYS A 199 27.729 12.012 3.015 1.00 70.41 C ATOM 481 CD LYS A 199 26.411 12.744 3.200 1.00 11.00 C ATOM 482 CE LYS A 199 26.496 14.179 2.702 1.00 11.53 C ATOM 483 NZ LYS A 199 26.840 15.127 3.799 1.00 15.11 N ATOM 0 H LYS A 199 27.398 9.453 4.024 1.00 70.43 H new ATOM 0 HA LYS A 199 30.037 10.528 3.623 1.00 40.40 H new ATOM 0 HB2 LYS A 199 27.625 11.638 5.118 1.00 71.24 H new ATOM 0 HB3 LYS A 199 29.035 12.552 4.620 1.00 71.24 H new ATOM 0 HG2 LYS A 199 28.398 12.615 2.401 1.00 70.41 H new ATOM 0 HG3 LYS A 199 27.556 11.080 2.477 1.00 70.41 H new ATOM 0 HD2 LYS A 199 25.622 12.217 2.663 1.00 11.00 H new ATOM 0 HD3 LYS A 199 26.136 12.739 4.255 1.00 11.00 H new ATOM 0 HE2 LYS A 199 27.247 14.246 1.915 1.00 11.53 H new ATOM 0 HE3 LYS A 199 25.543 14.467 2.259 1.00 11.53 H new ATOM 0 HZ1 LYS A 199 26.888 16.094 3.420 1.00 15.11 H new ATOM 0 HZ2 LYS A 199 26.110 15.081 4.539 1.00 15.11 H new ATOM 0 HZ3 LYS A 199 27.762 14.868 4.205 1.00 15.11 H new ATOM 497 N LEU A 200 29.297 9.214 6.442 1.00 11.33 N ATOM 498 CA LEU A 200 29.786 8.890 7.778 1.00 61.22 C ATOM 499 C LEU A 200 30.614 7.609 7.758 1.00 52.30 C ATOM 500 O LEU A 200 31.687 7.541 8.358 1.00 11.23 O ATOM 501 CB LEU A 200 28.614 8.738 8.749 1.00 71.12 C ATOM 502 CG LEU A 200 28.758 9.453 10.092 1.00 50.20 C ATOM 503 CD1 LEU A 200 28.548 10.950 9.926 1.00 73.32 C ATOM 504 CD2 LEU A 200 27.777 8.884 11.107 1.00 34.20 C ATOM 0 H LEU A 200 28.528 8.627 6.121 1.00 11.33 H new ATOM 0 HA LEU A 200 30.423 9.708 8.113 1.00 61.22 H new ATOM 0 HB2 LEU A 200 27.712 9.106 8.259 1.00 71.12 H new ATOM 0 HB3 LEU A 200 28.462 7.676 8.940 1.00 71.12 H new ATOM 0 HG LEU A 200 29.770 9.288 10.462 1.00 50.20 H new ATOM 0 HD11 LEU A 200 28.654 11.442 10.893 1.00 73.32 H new ATOM 0 HD12 LEU A 200 29.290 11.347 9.233 1.00 73.32 H new ATOM 0 HD13 LEU A 200 27.549 11.136 9.533 1.00 73.32 H new ATOM 0 HD21 LEU A 200 27.894 9.405 12.057 1.00 34.20 H new ATOM 0 HD22 LEU A 200 26.758 9.017 10.743 1.00 34.20 H new ATOM 0 HD23 LEU A 200 27.975 7.822 11.249 1.00 34.20 H new ATOM 516 N VAL A 201 30.110 6.595 7.062 1.00 21.45 N ATOM 517 CA VAL A 201 30.805 5.317 6.960 1.00 21.00 C ATOM 518 C VAL A 201 31.749 5.299 5.764 1.00 1.23 C ATOM 519 O VAL A 201 32.880 4.824 5.860 1.00 61.44 O ATOM 520 CB VAL A 201 29.812 4.147 6.834 1.00 34.53 C ATOM 521 CG1 VAL A 201 30.551 2.817 6.826 1.00 52.22 C ATOM 522 CG2 VAL A 201 28.791 4.191 7.961 1.00 35.44 C ATOM 0 H VAL A 201 29.223 6.634 6.560 1.00 21.45 H new ATOM 0 HA VAL A 201 31.382 5.197 7.877 1.00 21.00 H new ATOM 0 HB VAL A 201 29.280 4.246 5.888 1.00 34.53 H new ATOM 0 HG11 VAL A 201 29.833 2.002 6.736 1.00 52.22 H new ATOM 0 HG12 VAL A 201 31.239 2.788 5.981 1.00 52.22 H new ATOM 0 HG13 VAL A 201 31.111 2.706 7.755 1.00 52.22 H new ATOM 0 HG21 VAL A 201 28.097 3.357 7.856 1.00 35.44 H new ATOM 0 HG22 VAL A 201 29.304 4.118 8.920 1.00 35.44 H new ATOM 0 HG23 VAL A 201 28.239 5.130 7.916 1.00 35.44 H new ATOM 532 N GLY A 202 31.277 5.821 4.636 1.00 43.15 N ATOM 533 CA GLY A 202 32.092 5.855 3.435 1.00 12.24 C ATOM 534 C GLY A 202 33.160 6.929 3.490 1.00 0.11 C ATOM 535 O GLY A 202 33.748 7.177 4.544 1.00 60.51 O ATOM 0 H GLY A 202 30.345 6.221 4.532 1.00 43.15 H new ATOM 0 HA2 GLY A 202 32.565 4.883 3.293 1.00 12.24 H new ATOM 0 HA3 GLY A 202 31.452 6.027 2.570 1.00 12.24 H new ATOM 539 N ARG A 203 33.413 7.568 2.353 1.00 40.13 N ATOM 540 CA ARG A 203 34.421 8.619 2.275 1.00 22.12 C ATOM 541 C ARG A 203 33.872 9.847 1.553 1.00 31.31 C ATOM 542 O ARG A 203 34.629 10.650 1.007 1.00 4.22 O ATOM 543 CB ARG A 203 35.669 8.107 1.555 1.00 61.43 C ATOM 544 CG ARG A 203 36.632 7.358 2.462 1.00 71.33 C ATOM 545 CD ARG A 203 37.541 6.434 1.668 1.00 3.00 C ATOM 546 NE ARG A 203 38.935 6.539 2.093 1.00 43.32 N ATOM 547 CZ ARG A 203 39.400 6.015 3.222 1.00 44.13 C ATOM 548 NH1 ARG A 203 38.587 5.352 4.032 1.00 2.14 N ATOM 549 NH2 ARG A 203 40.681 6.153 3.540 1.00 54.34 N ATOM 0 H ARG A 203 32.934 7.377 1.473 1.00 40.13 H new ATOM 0 HA ARG A 203 34.689 8.906 3.292 1.00 22.12 H new ATOM 0 HB2 ARG A 203 35.364 7.449 0.741 1.00 61.43 H new ATOM 0 HB3 ARG A 203 36.190 8.952 1.104 1.00 61.43 H new ATOM 0 HG2 ARG A 203 37.236 8.072 3.021 1.00 71.33 H new ATOM 0 HG3 ARG A 203 36.068 6.777 3.192 1.00 71.33 H new ATOM 0 HD2 ARG A 203 37.203 5.404 1.785 1.00 3.00 H new ATOM 0 HD3 ARG A 203 37.466 6.675 0.608 1.00 3.00 H new ATOM 0 HE ARG A 203 39.586 7.042 1.490 1.00 43.32 H new ATOM 0 HH11 ARG A 203 37.602 5.243 3.789 1.00 2.14 H new ATOM 0 HH12 ARG A 203 38.946 4.951 4.898 1.00 2.14 H new ATOM 0 HH21 ARG A 203 41.309 6.662 2.918 1.00 54.34 H new ATOM 0 HH22 ARG A 203 41.038 5.751 4.407 1.00 54.34 H new ATOM 563 N HIS A 204 32.549 9.984 1.552 1.00 11.35 N ATOM 564 CA HIS A 204 31.898 11.112 0.896 1.00 3.02 C ATOM 565 C HIS A 204 31.631 12.238 1.891 1.00 32.05 C ATOM 566 O HIS A 204 30.592 12.897 1.833 1.00 70.30 O ATOM 567 CB HIS A 204 30.587 10.666 0.248 1.00 0.12 C ATOM 568 CG HIS A 204 30.741 9.489 -0.665 1.00 5.31 C ATOM 569 ND1 HIS A 204 31.154 9.602 -1.976 1.00 4.35 N ATOM 570 CD2 HIS A 204 30.536 8.168 -0.450 1.00 1.55 C ATOM 571 CE1 HIS A 204 31.195 8.402 -2.527 1.00 2.23 C ATOM 572 NE2 HIS A 204 30.825 7.515 -1.622 1.00 62.41 N ATOM 0 H HIS A 204 31.908 9.328 1.998 1.00 11.35 H new ATOM 0 HA HIS A 204 32.567 11.486 0.121 1.00 3.02 H new ATOM 0 HB2 HIS A 204 29.871 10.417 1.031 1.00 0.12 H new ATOM 0 HB3 HIS A 204 30.167 11.500 -0.315 1.00 0.12 H new ATOM 0 HD2 HIS A 204 30.206 7.713 0.472 1.00 1.55 H new ATOM 0 HE1 HIS A 204 31.482 8.184 -3.545 1.00 2.23 H new ATOM 0 HE2 HIS A 204 30.764 6.508 -1.770 1.00 62.41 H new ATOM 579 N ARG A 205 32.574 12.453 2.802 1.00 11.13 N ATOM 580 CA ARG A 205 32.438 13.497 3.811 1.00 61.12 C ATOM 581 C ARG A 205 33.114 14.786 3.352 1.00 44.20 C ATOM 582 O ARG A 205 32.575 15.879 3.528 1.00 33.14 O ATOM 583 CB ARG A 205 33.042 13.036 5.138 1.00 41.34 C ATOM 584 CG ARG A 205 32.383 13.661 6.357 1.00 63.53 C ATOM 585 CD ARG A 205 33.101 14.929 6.790 1.00 21.53 C ATOM 586 NE ARG A 205 34.006 14.690 7.910 1.00 21.25 N ATOM 587 CZ ARG A 205 34.871 15.592 8.362 1.00 65.34 C ATOM 588 NH1 ARG A 205 34.948 16.785 7.790 1.00 13.22 N ATOM 589 NH2 ARG A 205 35.662 15.300 9.386 1.00 65.22 N ATOM 0 H ARG A 205 33.441 11.918 2.862 1.00 11.13 H new ATOM 0 HA ARG A 205 31.375 13.694 3.953 1.00 61.12 H new ATOM 0 HB2 ARG A 205 32.960 11.951 5.207 1.00 41.34 H new ATOM 0 HB3 ARG A 205 34.105 13.277 5.147 1.00 41.34 H new ATOM 0 HG2 ARG A 205 31.342 13.890 6.131 1.00 63.53 H new ATOM 0 HG3 ARG A 205 32.381 12.944 7.178 1.00 63.53 H new ATOM 0 HD2 ARG A 205 33.664 15.332 5.948 1.00 21.53 H new ATOM 0 HD3 ARG A 205 32.366 15.683 7.072 1.00 21.53 H new ATOM 0 HE ARG A 205 33.973 13.781 8.371 1.00 21.25 H new ATOM 0 HH11 ARG A 205 34.343 17.012 7.001 1.00 13.22 H new ATOM 0 HH12 ARG A 205 35.613 17.476 8.139 1.00 13.22 H new ATOM 0 HH21 ARG A 205 35.607 14.382 9.828 1.00 65.22 H new ATOM 0 HH22 ARG A 205 36.325 15.993 9.732 1.00 65.22 H new ATOM 603 N ASP A 206 34.298 14.651 2.765 1.00 22.43 N ATOM 604 CA ASP A 206 35.047 15.804 2.281 1.00 3.20 C ATOM 605 C ASP A 206 34.775 16.046 0.799 1.00 24.10 C ATOM 606 O ASP A 206 35.413 16.891 0.170 1.00 3.23 O ATOM 607 CB ASP A 206 36.546 15.597 2.510 1.00 12.20 C ATOM 608 CG ASP A 206 37.178 14.719 1.449 1.00 33.50 C ATOM 609 OD1 ASP A 206 37.001 13.484 1.518 1.00 13.11 O ATOM 610 OD2 ASP A 206 37.849 15.264 0.549 1.00 50.20 O ATOM 0 H ASP A 206 34.760 13.754 2.613 1.00 22.43 H new ATOM 0 HA ASP A 206 34.719 16.680 2.840 1.00 3.20 H new ATOM 0 HB2 ASP A 206 37.046 16.566 2.521 1.00 12.20 H new ATOM 0 HB3 ASP A 206 36.702 15.147 3.490 1.00 12.20 H new ATOM 615 N HIS A 207 33.825 15.298 0.247 1.00 4.21 N ATOM 616 CA HIS A 207 33.468 15.432 -1.161 1.00 12.33 C ATOM 617 C HIS A 207 32.550 16.632 -1.377 1.00 31.41 C ATOM 618 O HIS A 207 32.149 17.298 -0.423 1.00 22.51 O ATOM 619 CB HIS A 207 32.787 14.157 -1.659 1.00 62.11 C ATOM 620 CG HIS A 207 33.722 12.995 -1.802 1.00 52.23 C ATOM 621 ND1 HIS A 207 33.315 11.753 -2.239 1.00 61.42 N ATOM 622 CD2 HIS A 207 35.050 12.894 -1.565 1.00 10.31 C ATOM 623 CE1 HIS A 207 34.353 10.936 -2.262 1.00 63.42 C ATOM 624 NE2 HIS A 207 35.418 11.604 -1.858 1.00 23.23 N ATOM 0 H HIS A 207 33.289 14.593 0.753 1.00 4.21 H new ATOM 0 HA HIS A 207 34.384 15.591 -1.730 1.00 12.33 H new ATOM 0 HB2 HIS A 207 31.989 13.887 -0.967 1.00 62.11 H new ATOM 0 HB3 HIS A 207 32.319 14.357 -2.623 1.00 62.11 H new ATOM 0 HD1 HIS A 207 32.362 11.504 -2.503 1.00 61.42 H new ATOM 0 HD2 HIS A 207 35.700 13.681 -1.211 1.00 10.31 H new ATOM 0 HE1 HIS A 207 34.334 9.898 -2.560 1.00 63.42 H new ATOM 631 N GLN A 208 32.223 16.900 -2.637 1.00 45.12 N ATOM 632 CA GLN A 208 31.354 18.020 -2.978 1.00 0.14 C ATOM 633 C GLN A 208 29.908 17.559 -3.133 1.00 4.34 C ATOM 634 O GLN A 208 29.645 16.460 -3.620 1.00 74.13 O ATOM 635 CB GLN A 208 31.829 18.688 -4.269 1.00 0.24 C ATOM 636 CG GLN A 208 32.186 20.157 -4.098 1.00 30.42 C ATOM 637 CD GLN A 208 33.488 20.524 -4.783 1.00 60.23 C ATOM 638 OE1 GLN A 208 33.784 20.042 -5.878 1.00 11.43 O ATOM 639 NE2 GLN A 208 34.273 21.381 -4.142 1.00 2.20 N ATOM 0 H GLN A 208 32.546 16.357 -3.438 1.00 45.12 H new ATOM 0 HA GLN A 208 31.401 18.744 -2.164 1.00 0.14 H new ATOM 0 HB2 GLN A 208 32.700 18.152 -4.646 1.00 0.24 H new ATOM 0 HB3 GLN A 208 31.048 18.598 -5.024 1.00 0.24 H new ATOM 0 HG2 GLN A 208 31.382 20.772 -4.501 1.00 30.42 H new ATOM 0 HG3 GLN A 208 32.261 20.388 -3.035 1.00 30.42 H new ATOM 0 HE21 GLN A 208 33.988 21.755 -3.237 1.00 2.20 H new ATOM 0 HE22 GLN A 208 35.161 21.666 -4.554 1.00 2.20 H new ATOM 648 N VAL A 209 28.974 18.407 -2.714 1.00 53.51 N ATOM 649 CA VAL A 209 27.554 18.088 -2.806 1.00 62.25 C ATOM 650 C VAL A 209 26.716 19.349 -2.978 1.00 4.02 C ATOM 651 O VAL A 209 27.252 20.450 -3.103 1.00 23.32 O ATOM 652 CB VAL A 209 27.068 17.327 -1.559 1.00 73.52 C ATOM 653 CG1 VAL A 209 27.837 16.024 -1.393 1.00 53.34 C ATOM 654 CG2 VAL A 209 27.203 18.197 -0.318 1.00 64.25 C ATOM 0 H VAL A 209 29.175 19.321 -2.307 1.00 53.51 H new ATOM 0 HA VAL A 209 27.429 17.452 -3.682 1.00 62.25 H new ATOM 0 HB VAL A 209 26.014 17.084 -1.692 1.00 73.52 H new ATOM 0 HG11 VAL A 209 27.479 15.501 -0.506 1.00 53.34 H new ATOM 0 HG12 VAL A 209 27.684 15.397 -2.271 1.00 53.34 H new ATOM 0 HG13 VAL A 209 28.900 16.240 -1.282 1.00 53.34 H new ATOM 0 HG21 VAL A 209 26.855 17.643 0.554 1.00 64.25 H new ATOM 0 HG22 VAL A 209 28.248 18.473 -0.179 1.00 64.25 H new ATOM 0 HG23 VAL A 209 26.603 19.099 -0.439 1.00 64.25 H new ATOM 664 N ALA A 210 25.398 19.182 -2.982 1.00 31.03 N ATOM 665 CA ALA A 210 24.485 20.308 -3.136 1.00 5.53 C ATOM 666 C ALA A 210 23.238 20.124 -2.278 1.00 72.10 C ATOM 667 O ALA A 210 22.375 19.303 -2.589 1.00 11.22 O ATOM 668 CB ALA A 210 24.103 20.481 -4.598 1.00 11.12 C ATOM 0 H ALA A 210 24.938 18.277 -2.880 1.00 31.03 H new ATOM 0 HA ALA A 210 24.997 21.209 -2.797 1.00 5.53 H new ATOM 0 HB1 ALA A 210 23.421 21.325 -4.698 1.00 11.12 H new ATOM 0 HB2 ALA A 210 25.000 20.667 -5.189 1.00 11.12 H new ATOM 0 HB3 ALA A 210 23.614 19.575 -4.956 1.00 11.12 H new