USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 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 175:sc= -0.947 USER MOD Set 1.2: A 189 THR OG1 : rot 84:sc= -0.084 USER MOD Set 1.3: A 204 HIS : no HD1:sc= -0.609 K(o=-2.2,f=-4.3) USER MOD Set 1.4: A 207 HIS : no HE2:sc= -0.58 K(o=-2.2,f=-6.2) USER MOD Set 2.1: A 175 CYS SG : rot -140:sc= 0.27 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -3.51! C(o=-2.9!,f=-4.2!) USER MOD Set 2.3: A 195 CYS SG : rot -99:sc= 0.213 USER MOD Set 2.4: A 198 CYS SG : rot 128:sc= 0.116 USER MOD Single : A 174 MET CE :methyl -137:sc= -0.139 (180deg=-0.376) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.7!) USER MOD Single : A 185 MET CE :methyl 164:sc= -0.181 (180deg=-0.885) USER MOD Single : A 186 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ -131:sc= -0.102 (180deg=-0.884) USER MOD Single : A 208 GLN : amide:sc=-0.00899 X(o=-0.009,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.536 5.551 -2.128 1.00 43.42 N ATOM 99 CA MET A 174 17.496 5.268 -1.068 1.00 2.23 C ATOM 100 C MET A 174 18.836 4.828 -1.651 1.00 53.43 C ATOM 101 O MET A 174 19.002 4.863 -2.870 1.00 10.33 O ATOM 102 CB MET A 174 16.953 4.184 -0.135 1.00 5.42 C ATOM 103 CG MET A 174 15.673 4.584 0.580 1.00 75.42 C ATOM 104 SD MET A 174 14.253 3.599 0.063 1.00 53.32 S ATOM 105 CE MET A 174 13.421 4.753 -1.027 1.00 30.02 C ATOM 0 HA MET A 174 17.651 6.184 -0.498 1.00 2.23 H new ATOM 0 HB2 MET A 174 16.769 3.278 -0.712 1.00 5.42 H new ATOM 0 HB3 MET A 174 17.713 3.940 0.607 1.00 5.42 H new ATOM 0 HG2 MET A 174 15.813 4.476 1.656 1.00 75.42 H new ATOM 0 HG3 MET A 174 15.469 5.638 0.389 1.00 75.42 H new ATOM 0 HE1 MET A 174 12.348 4.724 -0.837 1.00 30.02 H new ATOM 0 HE2 MET A 174 13.794 5.761 -0.844 1.00 30.02 H new ATOM 0 HE3 MET A 174 13.614 4.478 -2.064 1.00 30.02 H new ATOM 115 N CYS A 175 19.751 4.429 -0.780 1.00 53.32 N ATOM 116 CA CYS A 175 21.063 3.989 -1.222 1.00 60.22 C ATOM 117 C CYS A 175 20.911 2.620 -1.888 1.00 41.52 C ATOM 118 O CYS A 175 19.906 1.927 -1.734 1.00 35.32 O ATOM 119 CB CYS A 175 22.067 3.954 -0.068 1.00 74.32 C ATOM 120 SG CYS A 175 23.670 4.649 -0.611 1.00 61.21 S ATOM 0 H CYS A 175 19.610 4.401 0.230 1.00 53.32 H new ATOM 0 HA CYS A 175 21.464 4.701 -1.944 1.00 60.22 H new ATOM 0 HB2 CYS A 175 21.682 4.524 0.777 1.00 74.32 H new ATOM 0 HB3 CYS A 175 22.204 2.928 0.275 1.00 74.32 H new ATOM 0 HG CYS A 175 24.641 3.945 -0.109 1.00 61.21 H new ATOM 125 N LEU A 176 21.940 2.244 -2.639 1.00 2.10 N ATOM 126 CA LEU A 176 21.948 0.964 -3.341 1.00 41.53 C ATOM 127 C LEU A 176 22.115 -0.192 -2.362 1.00 33.43 C ATOM 128 O LEU A 176 21.327 -1.138 -2.365 1.00 34.11 O ATOM 129 CB LEU A 176 23.073 0.936 -4.378 1.00 10.43 C ATOM 130 CG LEU A 176 22.683 1.335 -5.802 1.00 1.41 C ATOM 131 CD1 LEU A 176 22.934 2.818 -6.028 1.00 51.23 C ATOM 132 CD2 LEU A 176 23.450 0.502 -6.818 1.00 13.03 C ATOM 0 H LEU A 176 22.780 2.806 -2.778 1.00 2.10 H new ATOM 0 HA LEU A 176 20.991 0.850 -3.849 1.00 41.53 H new ATOM 0 HB2 LEU A 176 23.868 1.601 -4.040 1.00 10.43 H new ATOM 0 HB3 LEU A 176 23.490 -0.071 -4.405 1.00 10.43 H new ATOM 0 HG LEU A 176 21.618 1.143 -5.934 1.00 1.41 H new ATOM 0 HD11 LEU A 176 22.651 3.084 -7.046 1.00 51.23 H new ATOM 0 HD12 LEU A 176 22.340 3.399 -5.323 1.00 51.23 H new ATOM 0 HD13 LEU A 176 23.991 3.035 -5.877 1.00 51.23 H new ATOM 0 HD21 LEU A 176 23.160 0.799 -7.826 1.00 13.03 H new ATOM 0 HD22 LEU A 176 24.520 0.662 -6.686 1.00 13.03 H new ATOM 0 HD23 LEU A 176 23.220 -0.553 -6.671 1.00 13.03 H new ATOM 144 N GLU A 177 23.144 -0.110 -1.525 1.00 13.43 N ATOM 145 CA GLU A 177 23.411 -1.150 -0.540 1.00 21.45 C ATOM 146 C GLU A 177 22.576 -0.936 0.719 1.00 72.21 C ATOM 147 O GLU A 177 22.104 -1.892 1.335 1.00 5.52 O ATOM 148 CB GLU A 177 24.898 -1.173 -0.180 1.00 2.13 C ATOM 149 CG GLU A 177 25.707 -2.169 -0.993 1.00 73.52 C ATOM 150 CD GLU A 177 27.194 -2.088 -0.707 1.00 14.44 C ATOM 151 OE1 GLU A 177 27.571 -2.146 0.483 1.00 63.11 O ATOM 152 OE2 GLU A 177 27.979 -1.965 -1.670 1.00 15.31 O ATOM 0 H GLU A 177 23.806 0.666 -1.510 1.00 13.43 H new ATOM 0 HA GLU A 177 23.135 -2.109 -0.979 1.00 21.45 H new ATOM 0 HB2 GLU A 177 25.314 -0.176 -0.325 1.00 2.13 H new ATOM 0 HB3 GLU A 177 25.003 -1.411 0.879 1.00 2.13 H new ATOM 0 HG2 GLU A 177 25.355 -3.178 -0.779 1.00 73.52 H new ATOM 0 HG3 GLU A 177 25.535 -1.990 -2.054 1.00 73.52 H new ATOM 159 N HIS A 178 22.397 0.326 1.096 1.00 41.12 N ATOM 160 CA HIS A 178 21.619 0.668 2.282 1.00 25.32 C ATOM 161 C HIS A 178 20.143 0.833 1.935 1.00 43.15 C ATOM 162 O HIS A 178 19.701 1.921 1.568 1.00 10.42 O ATOM 163 CB HIS A 178 22.154 1.954 2.915 1.00 73.54 C ATOM 164 CG HIS A 178 23.626 1.920 3.188 1.00 34.33 C ATOM 165 ND1 HIS A 178 24.522 2.783 2.593 1.00 13.12 N ATOM 166 CD2 HIS A 178 24.357 1.121 4.000 1.00 21.41 C ATOM 167 CE1 HIS A 178 25.741 2.515 3.026 1.00 13.13 C ATOM 168 NE2 HIS A 178 25.668 1.511 3.881 1.00 44.10 N ATOM 0 H HIS A 178 22.780 1.129 0.597 1.00 41.12 H new ATOM 0 HA HIS A 178 21.716 -0.148 2.998 1.00 25.32 H new ATOM 0 HB2 HIS A 178 21.935 2.793 2.254 1.00 73.54 H new ATOM 0 HB3 HIS A 178 21.624 2.137 3.850 1.00 73.54 H new ATOM 0 HD2 HIS A 178 23.979 0.325 4.625 1.00 21.41 H new ATOM 0 HE1 HIS A 178 26.644 3.029 2.731 1.00 13.13 H new ATOM 0 HE2 HIS A 178 26.458 1.093 4.373 1.00 44.10 H new ATOM 175 N GLU A 179 19.387 -0.254 2.051 1.00 31.04 N ATOM 176 CA GLU A 179 17.961 -0.229 1.748 1.00 30.24 C ATOM 177 C GLU A 179 17.176 0.425 2.881 1.00 70.12 C ATOM 178 O GLU A 179 16.095 0.974 2.664 1.00 4.41 O ATOM 179 CB GLU A 179 17.444 -1.648 1.507 1.00 72.32 C ATOM 180 CG GLU A 179 16.886 -1.863 0.110 1.00 50.24 C ATOM 181 CD GLU A 179 15.433 -2.297 0.122 1.00 14.12 C ATOM 182 OE1 GLU A 179 14.556 -1.431 0.323 1.00 52.05 O ATOM 183 OE2 GLU A 179 15.173 -3.504 -0.068 1.00 41.43 O ATOM 0 H GLU A 179 19.738 -1.163 2.353 1.00 31.04 H new ATOM 0 HA GLU A 179 17.818 0.361 0.843 1.00 30.24 H new ATOM 0 HB2 GLU A 179 18.256 -2.355 1.678 1.00 72.32 H new ATOM 0 HB3 GLU A 179 16.667 -1.872 2.238 1.00 72.32 H new ATOM 0 HG2 GLU A 179 16.981 -0.939 -0.461 1.00 50.24 H new ATOM 0 HG3 GLU A 179 17.482 -2.617 -0.403 1.00 50.24 H new ATOM 190 N ASP A 180 17.725 0.361 4.089 1.00 45.24 N ATOM 191 CA ASP A 180 17.077 0.946 5.256 1.00 41.44 C ATOM 192 C ASP A 180 17.654 2.324 5.565 1.00 65.45 C ATOM 193 O ASP A 180 17.765 2.714 6.726 1.00 24.12 O ATOM 194 CB ASP A 180 17.237 0.028 6.468 1.00 0.24 C ATOM 195 CG ASP A 180 16.019 0.043 7.371 1.00 33.20 C ATOM 196 OD1 ASP A 180 15.839 1.033 8.110 1.00 10.51 O ATOM 197 OD2 ASP A 180 15.244 -0.936 7.337 1.00 2.11 O ATOM 0 H ASP A 180 18.618 -0.091 4.285 1.00 45.24 H new ATOM 0 HA ASP A 180 16.016 1.059 5.033 1.00 41.44 H new ATOM 0 HB2 ASP A 180 17.420 -0.991 6.127 1.00 0.24 H new ATOM 0 HB3 ASP A 180 18.113 0.335 7.039 1.00 0.24 H new ATOM 202 N GLU A 181 18.023 3.054 4.518 1.00 60.14 N ATOM 203 CA GLU A 181 18.592 4.387 4.678 1.00 21.21 C ATOM 204 C GLU A 181 18.391 5.220 3.415 1.00 44.54 C ATOM 205 O GLU A 181 18.964 4.925 2.365 1.00 5.54 O ATOM 206 CB GLU A 181 20.083 4.293 5.009 1.00 32.31 C ATOM 207 CG GLU A 181 20.428 4.787 6.404 1.00 70.43 C ATOM 208 CD GLU A 181 21.346 5.994 6.385 1.00 22.31 C ATOM 209 OE1 GLU A 181 21.267 6.784 5.423 1.00 44.31 O ATOM 210 OE2 GLU A 181 22.144 6.146 7.335 1.00 54.01 O ATOM 0 H GLU A 181 17.938 2.745 3.550 1.00 60.14 H new ATOM 0 HA GLU A 181 18.075 4.878 5.502 1.00 21.21 H new ATOM 0 HB2 GLU A 181 20.404 3.256 4.910 1.00 32.31 H new ATOM 0 HB3 GLU A 181 20.646 4.872 4.278 1.00 32.31 H new ATOM 0 HG2 GLU A 181 19.509 5.042 6.933 1.00 70.43 H new ATOM 0 HG3 GLU A 181 20.904 3.982 6.963 1.00 70.43 H new ATOM 217 N LYS A 182 17.574 6.262 3.525 1.00 43.35 N ATOM 218 CA LYS A 182 17.297 7.139 2.393 1.00 65.11 C ATOM 219 C LYS A 182 18.487 8.048 2.104 1.00 1.40 C ATOM 220 O LYS A 182 19.239 8.410 3.010 1.00 65.44 O ATOM 221 CB LYS A 182 16.052 7.984 2.670 1.00 51.22 C ATOM 222 CG LYS A 182 14.986 7.868 1.594 1.00 15.10 C ATOM 223 CD LYS A 182 13.888 8.902 1.782 1.00 25.40 C ATOM 224 CE LYS A 182 13.165 9.190 0.476 1.00 51.15 C ATOM 225 NZ LYS A 182 11.698 9.349 0.677 1.00 13.45 N ATOM 0 H LYS A 182 17.092 6.520 4.386 1.00 43.35 H new ATOM 0 HA LYS A 182 17.119 6.515 1.517 1.00 65.11 H new ATOM 0 HB2 LYS A 182 15.625 7.684 3.627 1.00 51.22 H new ATOM 0 HB3 LYS A 182 16.347 9.029 2.767 1.00 51.22 H new ATOM 0 HG2 LYS A 182 15.443 7.996 0.613 1.00 15.10 H new ATOM 0 HG3 LYS A 182 14.553 6.868 1.616 1.00 15.10 H new ATOM 0 HD2 LYS A 182 13.173 8.545 2.524 1.00 25.40 H new ATOM 0 HD3 LYS A 182 14.318 9.824 2.172 1.00 25.40 H new ATOM 0 HE2 LYS A 182 13.571 10.098 0.029 1.00 51.15 H new ATOM 0 HE3 LYS A 182 13.349 8.378 -0.228 1.00 51.15 H new ATOM 0 HZ1 LYS A 182 11.242 9.544 -0.237 1.00 13.45 H new ATOM 0 HZ2 LYS A 182 11.306 8.474 1.080 1.00 13.45 H new ATOM 0 HZ3 LYS A 182 11.521 10.140 1.328 1.00 13.45 H new ATOM 239 N VAL A 183 18.653 8.416 0.837 1.00 13.45 N ATOM 240 CA VAL A 183 19.749 9.286 0.431 1.00 24.11 C ATOM 241 C VAL A 183 19.770 10.567 1.256 1.00 55.42 C ATOM 242 O VAL A 183 18.881 10.807 2.072 1.00 35.40 O ATOM 243 CB VAL A 183 19.652 9.651 -1.063 1.00 31.13 C ATOM 244 CG1 VAL A 183 19.946 8.436 -1.930 1.00 10.24 C ATOM 245 CG2 VAL A 183 18.280 10.225 -1.382 1.00 1.11 C ATOM 0 H VAL A 183 18.042 8.124 0.074 1.00 13.45 H new ATOM 0 HA VAL A 183 20.672 8.733 0.603 1.00 24.11 H new ATOM 0 HB VAL A 183 20.400 10.413 -1.283 1.00 31.13 H new ATOM 0 HG11 VAL A 183 19.873 8.713 -2.982 1.00 10.24 H new ATOM 0 HG12 VAL A 183 20.952 8.074 -1.719 1.00 10.24 H new ATOM 0 HG13 VAL A 183 19.224 7.649 -1.711 1.00 10.24 H new ATOM 0 HG21 VAL A 183 18.228 10.477 -2.441 1.00 1.11 H new ATOM 0 HG22 VAL A 183 17.513 9.487 -1.147 1.00 1.11 H new ATOM 0 HG23 VAL A 183 18.114 11.123 -0.787 1.00 1.11 H new ATOM 255 N ASN A 184 20.790 11.390 1.037 1.00 70.12 N ATOM 256 CA ASN A 184 20.926 12.649 1.761 1.00 51.13 C ATOM 257 C ASN A 184 21.199 13.802 0.799 1.00 11.21 C ATOM 258 O ASN A 184 20.667 14.900 0.965 1.00 44.12 O ATOM 259 CB ASN A 184 22.055 12.551 2.790 1.00 72.11 C ATOM 260 CG ASN A 184 21.915 13.573 3.901 1.00 50.10 C ATOM 261 OD1 ASN A 184 20.927 14.305 3.965 1.00 34.51 O ATOM 262 ND2 ASN A 184 22.907 13.629 4.782 1.00 60.34 N ATOM 0 H ASN A 184 21.535 11.208 0.364 1.00 70.12 H new ATOM 0 HA ASN A 184 19.987 12.845 2.279 1.00 51.13 H new ATOM 0 HB2 ASN A 184 22.065 11.550 3.220 1.00 72.11 H new ATOM 0 HB3 ASN A 184 23.013 12.692 2.289 1.00 72.11 H new ATOM 0 HD21 ASN A 184 22.869 14.298 5.551 1.00 60.34 H new ATOM 0 HD22 ASN A 184 23.707 13.003 4.690 1.00 60.34 H new ATOM 269 N MET A 185 22.029 13.544 -0.205 1.00 23.10 N ATOM 270 CA MET A 185 22.371 14.559 -1.194 1.00 2.32 C ATOM 271 C MET A 185 23.006 13.926 -2.428 1.00 53.40 C ATOM 272 O MET A 185 23.007 12.704 -2.579 1.00 14.13 O ATOM 273 CB MET A 185 23.326 15.591 -0.588 1.00 22.00 C ATOM 274 CG MET A 185 22.830 17.023 -0.710 1.00 64.02 C ATOM 275 SD MET A 185 22.184 17.668 0.844 1.00 11.54 S ATOM 276 CE MET A 185 23.522 18.748 1.346 1.00 71.41 C ATOM 0 H MET A 185 22.478 12.640 -0.356 1.00 23.10 H new ATOM 0 HA MET A 185 21.451 15.059 -1.497 1.00 2.32 H new ATOM 0 HB2 MET A 185 23.480 15.357 0.465 1.00 22.00 H new ATOM 0 HB3 MET A 185 24.296 15.508 -1.078 1.00 22.00 H new ATOM 0 HG2 MET A 185 23.647 17.659 -1.051 1.00 64.02 H new ATOM 0 HG3 MET A 185 22.051 17.070 -1.471 1.00 64.02 H new ATOM 0 HE1 MET A 185 23.170 19.427 2.122 1.00 71.41 H new ATOM 0 HE2 MET A 185 24.346 18.150 1.734 1.00 71.41 H new ATOM 0 HE3 MET A 185 23.865 19.325 0.487 1.00 71.41 H new ATOM 286 N TYR A 186 23.542 14.763 -3.308 1.00 41.11 N ATOM 287 CA TYR A 186 24.177 14.284 -4.530 1.00 2.41 C ATOM 288 C TYR A 186 25.660 14.644 -4.551 1.00 0.10 C ATOM 289 O TYR A 186 25.997 15.819 -4.414 1.00 1.45 O ATOM 290 CB TYR A 186 23.481 14.875 -5.757 1.00 74.14 C ATOM 291 CG TYR A 186 24.339 14.870 -7.001 1.00 52.53 C ATOM 292 CD1 TYR A 186 24.639 13.683 -7.658 1.00 12.41 C ATOM 293 CD2 TYR A 186 24.849 16.054 -7.522 1.00 30.33 C ATOM 294 CE1 TYR A 186 25.424 13.675 -8.795 1.00 31.53 C ATOM 295 CE2 TYR A 186 25.633 16.054 -8.659 1.00 1.43 C ATOM 296 CZ TYR A 186 25.918 14.863 -9.291 1.00 61.44 C ATOM 297 OH TYR A 186 26.699 14.858 -10.424 1.00 70.35 O ATOM 0 H TYR A 186 23.550 15.777 -3.198 1.00 41.11 H new ATOM 0 HA TYR A 186 24.084 13.198 -4.555 1.00 2.41 H new ATOM 0 HB2 TYR A 186 22.569 14.312 -5.953 1.00 74.14 H new ATOM 0 HB3 TYR A 186 23.182 15.900 -5.536 1.00 74.14 H new ATOM 0 HD1 TYR A 186 24.252 12.751 -7.273 1.00 12.41 H new ATOM 0 HD2 TYR A 186 24.628 16.989 -7.029 1.00 30.33 H new ATOM 0 HE1 TYR A 186 25.649 12.743 -9.293 1.00 31.53 H new ATOM 0 HE2 TYR A 186 26.021 16.983 -9.051 1.00 1.43 H new ATOM 0 HH TYR A 186 26.965 15.776 -10.642 1.00 70.35 H new ATOM 307 N CYS A 187 26.502 13.636 -4.720 1.00 44.24 N ATOM 308 CA CYS A 187 27.938 13.859 -4.757 1.00 73.13 C ATOM 309 C CYS A 187 28.314 14.331 -6.164 1.00 63.50 C ATOM 310 O CYS A 187 28.306 13.570 -7.132 1.00 23.04 O ATOM 311 CB CYS A 187 28.715 12.606 -4.348 1.00 5.11 C ATOM 312 SG CYS A 187 29.330 12.783 -2.633 1.00 51.13 S ATOM 0 H CYS A 187 26.218 12.663 -4.833 1.00 44.24 H new ATOM 0 HA CYS A 187 28.209 14.627 -4.033 1.00 73.13 H new ATOM 0 HB2 CYS A 187 28.073 11.729 -4.424 1.00 5.11 H new ATOM 0 HB3 CYS A 187 29.552 12.448 -5.029 1.00 5.11 H new ATOM 0 HG CYS A 187 29.901 11.676 -2.260 1.00 51.13 H new ATOM 317 N VAL A 188 28.648 15.614 -6.256 1.00 33.44 N ATOM 318 CA VAL A 188 29.033 16.215 -7.527 1.00 24.53 C ATOM 319 C VAL A 188 30.433 15.775 -7.940 1.00 73.43 C ATOM 320 O VAL A 188 30.750 15.708 -9.129 1.00 13.21 O ATOM 321 CB VAL A 188 28.990 17.753 -7.456 1.00 70.45 C ATOM 322 CG1 VAL A 188 29.424 18.360 -8.782 1.00 52.30 C ATOM 323 CG2 VAL A 188 27.597 18.229 -7.073 1.00 2.43 C ATOM 0 H VAL A 188 28.660 16.258 -5.465 1.00 33.44 H new ATOM 0 HA VAL A 188 28.313 15.873 -8.271 1.00 24.53 H new ATOM 0 HB VAL A 188 29.687 18.084 -6.686 1.00 70.45 H new ATOM 0 HG11 VAL A 188 29.388 19.447 -8.714 1.00 52.30 H new ATOM 0 HG12 VAL A 188 30.442 18.045 -9.011 1.00 52.30 H new ATOM 0 HG13 VAL A 188 28.754 18.023 -9.573 1.00 52.30 H new ATOM 0 HG21 VAL A 188 27.584 19.318 -7.027 1.00 2.43 H new ATOM 0 HG22 VAL A 188 26.878 17.889 -7.819 1.00 2.43 H new ATOM 0 HG23 VAL A 188 27.329 17.822 -6.098 1.00 2.43 H new ATOM 333 N THR A 189 31.269 15.474 -6.951 1.00 44.41 N ATOM 334 CA THR A 189 32.637 15.042 -7.212 1.00 1.22 C ATOM 335 C THR A 189 32.661 13.756 -8.029 1.00 0.12 C ATOM 336 O THR A 189 33.263 13.702 -9.102 1.00 34.22 O ATOM 337 CB THR A 189 33.414 14.819 -5.901 1.00 64.10 C ATOM 338 OG1 THR A 189 32.512 14.454 -4.852 1.00 72.42 O ATOM 339 CG2 THR A 189 34.179 16.073 -5.505 1.00 52.25 C ATOM 0 H THR A 189 31.023 15.521 -5.962 1.00 44.41 H new ATOM 0 HA THR A 189 33.118 15.838 -7.780 1.00 1.22 H new ATOM 0 HB THR A 189 34.129 14.012 -6.062 1.00 64.10 H new ATOM 0 HG1 THR A 189 32.343 13.489 -4.887 1.00 72.42 H new ATOM 0 HG21 THR A 189 34.720 15.891 -4.576 1.00 52.25 H new ATOM 0 HG22 THR A 189 34.887 16.331 -6.293 1.00 52.25 H new ATOM 0 HG23 THR A 189 33.479 16.896 -5.362 1.00 52.25 H new ATOM 347 N ASP A 190 32.004 12.722 -7.516 1.00 15.03 N ATOM 348 CA ASP A 190 31.947 11.435 -8.200 1.00 41.32 C ATOM 349 C ASP A 190 30.748 11.371 -9.141 1.00 50.21 C ATOM 350 O ASP A 190 30.646 10.469 -9.972 1.00 63.24 O ATOM 351 CB ASP A 190 31.874 10.296 -7.183 1.00 44.21 C ATOM 352 CG ASP A 190 32.594 10.626 -5.890 1.00 40.30 C ATOM 353 OD1 ASP A 190 33.808 10.345 -5.798 1.00 13.14 O ATOM 354 OD2 ASP A 190 31.945 11.166 -4.970 1.00 53.14 O ATOM 0 H ASP A 190 31.503 12.750 -6.628 1.00 15.03 H new ATOM 0 HA ASP A 190 32.856 11.326 -8.792 1.00 41.32 H new ATOM 0 HB2 ASP A 190 30.829 10.073 -6.967 1.00 44.21 H new ATOM 0 HB3 ASP A 190 32.309 9.396 -7.618 1.00 44.21 H new ATOM 359 N ASP A 191 29.843 12.334 -9.003 1.00 41.31 N ATOM 360 CA ASP A 191 28.650 12.387 -9.841 1.00 51.00 C ATOM 361 C ASP A 191 27.759 11.173 -9.596 1.00 4.23 C ATOM 362 O ASP A 191 27.437 10.432 -10.524 1.00 53.22 O ATOM 363 CB ASP A 191 29.042 12.459 -11.318 1.00 13.54 C ATOM 364 CG ASP A 191 27.940 13.044 -12.180 1.00 33.02 C ATOM 365 OD1 ASP A 191 26.826 12.480 -12.180 1.00 51.33 O ATOM 366 OD2 ASP A 191 28.193 14.064 -12.856 1.00 32.42 O ATOM 0 H ASP A 191 29.912 13.088 -8.320 1.00 41.31 H new ATOM 0 HA ASP A 191 28.090 13.284 -9.578 1.00 51.00 H new ATOM 0 HB2 ASP A 191 29.942 13.065 -11.423 1.00 13.54 H new ATOM 0 HB3 ASP A 191 29.287 11.459 -11.675 1.00 13.54 H new ATOM 371 N GLN A 192 27.368 10.976 -8.342 1.00 32.11 N ATOM 372 CA GLN A 192 26.516 9.851 -7.976 1.00 13.34 C ATOM 373 C GLN A 192 25.839 10.095 -6.630 1.00 74.14 C ATOM 374 O GLN A 192 26.506 10.325 -5.621 1.00 73.31 O ATOM 375 CB GLN A 192 27.336 8.561 -7.920 1.00 31.21 C ATOM 376 CG GLN A 192 26.495 7.315 -7.695 1.00 32.55 C ATOM 377 CD GLN A 192 26.085 6.644 -8.990 1.00 54.24 C ATOM 378 OE1 GLN A 192 24.926 6.713 -9.400 1.00 54.41 O ATOM 379 NE2 GLN A 192 27.037 5.988 -9.644 1.00 52.42 N ATOM 0 H GLN A 192 27.627 11.580 -7.562 1.00 32.11 H new ATOM 0 HA GLN A 192 25.743 9.750 -8.738 1.00 13.34 H new ATOM 0 HB2 GLN A 192 27.890 8.452 -8.852 1.00 31.21 H new ATOM 0 HB3 GLN A 192 28.071 8.642 -7.120 1.00 31.21 H new ATOM 0 HG2 GLN A 192 27.057 6.607 -7.086 1.00 32.55 H new ATOM 0 HG3 GLN A 192 25.602 7.582 -7.130 1.00 32.55 H new ATOM 0 HE21 GLN A 192 27.985 5.956 -9.268 1.00 52.42 H new ATOM 0 HE22 GLN A 192 26.820 5.516 -10.522 1.00 52.42 H new ATOM 388 N LEU A 193 24.512 10.045 -6.625 1.00 51.41 N ATOM 389 CA LEU A 193 23.743 10.261 -5.404 1.00 5.40 C ATOM 390 C LEU A 193 24.263 9.384 -4.270 1.00 43.11 C ATOM 391 O LEU A 193 24.756 8.280 -4.503 1.00 60.44 O ATOM 392 CB LEU A 193 22.262 9.971 -5.651 1.00 64.11 C ATOM 393 CG LEU A 193 21.285 11.077 -5.252 1.00 23.43 C ATOM 394 CD1 LEU A 193 20.116 11.132 -6.223 1.00 4.20 C ATOM 395 CD2 LEU A 193 20.789 10.863 -3.829 1.00 42.41 C ATOM 0 H LEU A 193 23.946 9.857 -7.452 1.00 51.41 H new ATOM 0 HA LEU A 193 23.858 11.305 -5.113 1.00 5.40 H new ATOM 0 HB2 LEU A 193 22.126 9.759 -6.712 1.00 64.11 H new ATOM 0 HB3 LEU A 193 21.995 9.065 -5.108 1.00 64.11 H new ATOM 0 HG LEU A 193 21.810 12.031 -5.293 1.00 23.43 H new ATOM 0 HD11 LEU A 193 19.431 11.925 -5.923 1.00 4.20 H new ATOM 0 HD12 LEU A 193 20.487 11.334 -7.228 1.00 4.20 H new ATOM 0 HD13 LEU A 193 19.591 10.177 -6.215 1.00 4.20 H new ATOM 0 HD21 LEU A 193 20.095 11.660 -3.562 1.00 42.41 H new ATOM 0 HD22 LEU A 193 20.281 9.901 -3.762 1.00 42.41 H new ATOM 0 HD23 LEU A 193 21.636 10.875 -3.143 1.00 42.41 H new ATOM 407 N ILE A 194 24.149 9.881 -3.043 1.00 40.23 N ATOM 408 CA ILE A 194 24.605 9.140 -1.873 1.00 42.24 C ATOM 409 C ILE A 194 23.733 9.438 -0.659 1.00 2.53 C ATOM 410 O ILE A 194 22.781 10.208 -0.775 1.00 44.33 O ATOM 411 CB ILE A 194 26.071 9.471 -1.534 1.00 1.32 C ATOM 412 CG1 ILE A 194 26.231 10.972 -1.279 1.00 64.52 C ATOM 413 CG2 ILE A 194 26.991 9.018 -2.657 1.00 72.25 C ATOM 414 CD1 ILE A 194 26.046 11.362 0.169 1.00 12.44 C ATOM 0 H ILE A 194 23.745 10.794 -2.833 1.00 40.23 H new ATOM 0 HA ILE A 194 24.528 8.081 -2.120 1.00 42.24 H new ATOM 0 HB ILE A 194 26.348 8.935 -0.626 1.00 1.32 H new ATOM 0 HG12 ILE A 194 27.222 11.284 -1.607 1.00 64.52 H new ATOM 0 HG13 ILE A 194 25.508 11.515 -1.888 1.00 64.52 H new ATOM 0 HG21 ILE A 194 28.023 9.259 -2.402 1.00 72.25 H new ATOM 0 HG22 ILE A 194 26.894 7.941 -2.795 1.00 72.25 H new ATOM 0 HG23 ILE A 194 26.717 9.528 -3.580 1.00 72.25 H new ATOM 0 HD11 ILE A 194 26.174 12.439 0.275 1.00 12.44 H new ATOM 0 HD12 ILE A 194 25.045 11.081 0.496 1.00 12.44 H new ATOM 0 HD13 ILE A 194 26.786 10.847 0.782 1.00 12.44 H new ATOM 426 N CYS A 195 24.075 8.832 0.469 1.00 53.41 N ATOM 427 CA CYS A 195 23.317 9.042 1.690 1.00 51.31 C ATOM 428 C CYS A 195 24.283 9.507 2.782 1.00 42.42 C ATOM 429 O CYS A 195 25.471 9.731 2.549 1.00 62.34 O ATOM 430 CB CYS A 195 22.550 7.785 2.104 1.00 22.15 C ATOM 431 SG CYS A 195 23.718 6.510 2.706 1.00 13.22 S ATOM 0 H CYS A 195 24.867 8.196 0.562 1.00 53.41 H new ATOM 0 HA CYS A 195 22.562 9.810 1.524 1.00 51.31 H new ATOM 0 HB2 CYS A 195 21.830 8.029 2.885 1.00 22.15 H new ATOM 0 HB3 CYS A 195 21.983 7.400 1.257 1.00 22.15 H new ATOM 0 HG CYS A 195 23.959 5.658 1.754 1.00 13.22 H new ATOM 436 N ALA A 196 23.743 9.649 3.988 1.00 62.44 N ATOM 437 CA ALA A 196 24.534 10.082 5.133 1.00 45.31 C ATOM 438 C ALA A 196 25.443 8.961 5.627 1.00 31.01 C ATOM 439 O ALA A 196 26.569 9.208 6.061 1.00 70.40 O ATOM 440 CB ALA A 196 23.623 10.558 6.253 1.00 14.12 C ATOM 0 H ALA A 196 22.761 9.470 4.197 1.00 62.44 H new ATOM 0 HA ALA A 196 25.165 10.912 4.815 1.00 45.31 H new ATOM 0 HB1 ALA A 196 24.227 10.878 7.102 1.00 14.12 H new ATOM 0 HB2 ALA A 196 23.020 11.395 5.901 1.00 14.12 H new ATOM 0 HB3 ALA A 196 22.968 9.743 6.561 1.00 14.12 H new ATOM 446 N LEU A 197 24.946 7.730 5.560 1.00 44.50 N ATOM 447 CA LEU A 197 25.715 6.572 6.001 1.00 34.10 C ATOM 448 C LEU A 197 27.000 6.430 5.194 1.00 22.12 C ATOM 449 O LEU A 197 27.976 5.884 5.706 1.00 64.15 O ATOM 450 CB LEU A 197 24.875 5.300 5.871 1.00 33.31 C ATOM 451 CG LEU A 197 25.060 4.257 6.975 1.00 63.24 C ATOM 452 CD1 LEU A 197 23.716 3.697 7.412 1.00 14.31 C ATOM 453 CD2 LEU A 197 25.977 3.138 6.501 1.00 23.13 C ATOM 0 H LEU A 197 24.016 7.509 5.205 1.00 44.50 H new ATOM 0 HA LEU A 197 25.981 6.721 7.047 1.00 34.10 H new ATOM 0 HB2 LEU A 197 23.823 5.585 5.840 1.00 33.31 H new ATOM 0 HB3 LEU A 197 25.106 4.832 4.914 1.00 33.31 H new ATOM 0 HG LEU A 197 25.524 4.743 7.834 1.00 63.24 H new ATOM 0 HD11 LEU A 197 23.868 2.957 8.198 1.00 14.31 H new ATOM 0 HD12 LEU A 197 23.091 4.505 7.791 1.00 14.31 H new ATOM 0 HD13 LEU A 197 23.224 3.227 6.561 1.00 14.31 H new ATOM 0 HD21 LEU A 197 26.098 2.405 7.298 1.00 23.13 H new ATOM 0 HD22 LEU A 197 25.540 2.655 5.627 1.00 23.13 H new ATOM 0 HD23 LEU A 197 26.950 3.552 6.238 1.00 23.13 H new ATOM 465 N CYS A 198 26.976 6.922 3.964 1.00 12.23 N ATOM 466 CA CYS A 198 28.144 6.847 3.104 1.00 25.32 C ATOM 467 C CYS A 198 29.094 7.985 3.482 1.00 41.10 C ATOM 468 O CYS A 198 30.318 7.857 3.441 1.00 52.03 O ATOM 469 CB CYS A 198 27.761 6.891 1.623 1.00 43.10 C ATOM 470 SG CYS A 198 26.985 5.308 1.129 1.00 3.33 S ATOM 0 H CYS A 198 26.165 7.375 3.542 1.00 12.23 H new ATOM 0 HA CYS A 198 28.647 5.891 3.253 1.00 25.32 H new ATOM 0 HB2 CYS A 198 27.072 7.716 1.442 1.00 43.10 H new ATOM 0 HB3 CYS A 198 28.647 7.076 1.015 1.00 43.10 H new ATOM 0 HG CYS A 198 25.851 5.546 0.540 1.00 3.33 H new ATOM 475 N LYS A 199 28.499 9.112 3.856 1.00 54.41 N ATOM 476 CA LYS A 199 29.264 10.289 4.249 1.00 73.31 C ATOM 477 C LYS A 199 29.823 10.129 5.658 1.00 33.34 C ATOM 478 O LYS A 199 30.712 10.873 6.073 1.00 23.34 O ATOM 479 CB LYS A 199 28.387 11.541 4.176 1.00 44.30 C ATOM 480 CG LYS A 199 27.928 11.881 2.768 1.00 54.32 C ATOM 481 CD LYS A 199 27.931 13.381 2.528 1.00 14.11 C ATOM 482 CE LYS A 199 26.673 14.037 3.077 1.00 74.43 C ATOM 483 NZ LYS A 199 25.777 14.516 1.988 1.00 54.13 N ATOM 0 H LYS A 199 27.487 9.235 3.895 1.00 54.41 H new ATOM 0 HA LYS A 199 30.098 10.397 3.556 1.00 73.31 H new ATOM 0 HB2 LYS A 199 27.512 11.399 4.810 1.00 44.30 H new ATOM 0 HB3 LYS A 199 28.941 12.387 4.583 1.00 44.30 H new ATOM 0 HG2 LYS A 199 28.581 11.394 2.044 1.00 54.32 H new ATOM 0 HG3 LYS A 199 26.924 11.488 2.607 1.00 54.32 H new ATOM 0 HD2 LYS A 199 28.809 13.824 2.999 1.00 14.11 H new ATOM 0 HD3 LYS A 199 28.009 13.579 1.459 1.00 14.11 H new ATOM 0 HE2 LYS A 199 26.135 13.325 3.703 1.00 74.43 H new ATOM 0 HE3 LYS A 199 26.950 14.876 3.715 1.00 74.43 H new ATOM 0 HZ1 LYS A 199 25.494 15.499 2.178 1.00 54.13 H new ATOM 0 HZ2 LYS A 199 26.280 14.470 1.079 1.00 54.13 H new ATOM 0 HZ3 LYS A 199 24.930 13.914 1.945 1.00 54.13 H new ATOM 497 N LEU A 200 29.297 9.153 6.390 1.00 21.43 N ATOM 498 CA LEU A 200 29.746 8.892 7.754 1.00 11.10 C ATOM 499 C LEU A 200 30.616 7.641 7.811 1.00 4.34 C ATOM 500 O LEU A 200 31.667 7.632 8.452 1.00 31.13 O ATOM 501 CB LEU A 200 28.543 8.734 8.686 1.00 2.25 C ATOM 502 CG LEU A 200 28.656 9.419 10.049 1.00 32.35 C ATOM 503 CD1 LEU A 200 28.784 10.925 9.881 1.00 34.12 C ATOM 504 CD2 LEU A 200 27.454 9.077 10.918 1.00 2.22 C ATOM 0 H LEU A 200 28.559 8.529 6.062 1.00 21.43 H new ATOM 0 HA LEU A 200 30.343 9.742 8.083 1.00 11.10 H new ATOM 0 HB2 LEU A 200 27.661 9.124 8.178 1.00 2.25 H new ATOM 0 HB3 LEU A 200 28.372 7.670 8.849 1.00 2.25 H new ATOM 0 HG LEU A 200 29.555 9.053 10.545 1.00 32.35 H new ATOM 0 HD11 LEU A 200 28.863 11.395 10.861 1.00 34.12 H new ATOM 0 HD12 LEU A 200 29.676 11.151 9.297 1.00 34.12 H new ATOM 0 HD13 LEU A 200 27.905 11.310 9.364 1.00 34.12 H new ATOM 0 HD21 LEU A 200 27.551 9.573 11.884 1.00 2.22 H new ATOM 0 HD22 LEU A 200 26.542 9.415 10.426 1.00 2.22 H new ATOM 0 HD23 LEU A 200 27.408 7.998 11.067 1.00 2.22 H new ATOM 516 N VAL A 201 30.172 6.586 7.136 1.00 31.12 N ATOM 517 CA VAL A 201 30.912 5.330 7.107 1.00 71.23 C ATOM 518 C VAL A 201 31.901 5.302 5.947 1.00 73.55 C ATOM 519 O VAL A 201 33.042 4.868 6.099 1.00 32.34 O ATOM 520 CB VAL A 201 29.964 4.122 6.988 1.00 41.01 C ATOM 521 CG1 VAL A 201 30.746 2.819 7.052 1.00 4.51 C ATOM 522 CG2 VAL A 201 28.903 4.170 8.077 1.00 32.31 C ATOM 0 H VAL A 201 29.303 6.576 6.602 1.00 31.12 H new ATOM 0 HA VAL A 201 31.458 5.262 8.048 1.00 71.23 H new ATOM 0 HB VAL A 201 29.464 4.169 6.021 1.00 41.01 H new ATOM 0 HG11 VAL A 201 30.059 1.977 6.966 1.00 4.51 H new ATOM 0 HG12 VAL A 201 31.465 2.785 6.233 1.00 4.51 H new ATOM 0 HG13 VAL A 201 31.276 2.759 8.003 1.00 4.51 H new ATOM 0 HG21 VAL A 201 28.241 3.309 7.979 1.00 32.31 H new ATOM 0 HG22 VAL A 201 29.384 4.148 9.055 1.00 32.31 H new ATOM 0 HG23 VAL A 201 28.322 5.087 7.979 1.00 32.31 H new ATOM 532 N GLY A 202 31.454 5.768 4.784 1.00 24.13 N ATOM 533 CA GLY A 202 32.312 5.787 3.613 1.00 11.21 C ATOM 534 C GLY A 202 33.344 6.897 3.669 1.00 72.34 C ATOM 535 O GLY A 202 33.878 7.204 4.735 1.00 23.11 O ATOM 0 H GLY A 202 30.514 6.132 4.632 1.00 24.13 H new ATOM 0 HA2 GLY A 202 32.820 4.827 3.523 1.00 11.21 H new ATOM 0 HA3 GLY A 202 31.700 5.909 2.719 1.00 11.21 H new ATOM 539 N ARG A 203 33.627 7.498 2.518 1.00 55.30 N ATOM 540 CA ARG A 203 34.604 8.577 2.439 1.00 34.14 C ATOM 541 C ARG A 203 34.026 9.781 1.701 1.00 61.21 C ATOM 542 O ARG A 203 34.764 10.587 1.132 1.00 1.15 O ATOM 543 CB ARG A 203 35.873 8.094 1.734 1.00 14.21 C ATOM 544 CG ARG A 203 36.695 7.119 2.561 1.00 23.13 C ATOM 545 CD ARG A 203 37.997 6.757 1.864 1.00 1.41 C ATOM 546 NE ARG A 203 38.757 5.757 2.609 1.00 45.32 N ATOM 547 CZ ARG A 203 39.730 5.027 2.075 1.00 51.03 C ATOM 548 NH1 ARG A 203 40.060 5.184 0.800 1.00 11.13 N ATOM 549 NH2 ARG A 203 40.376 4.137 2.817 1.00 21.03 N ATOM 0 H ARG A 203 33.193 7.256 1.627 1.00 55.30 H new ATOM 0 HA ARG A 203 34.855 8.882 3.455 1.00 34.14 H new ATOM 0 HB2 ARG A 203 35.597 7.617 0.794 1.00 14.21 H new ATOM 0 HB3 ARG A 203 36.491 8.957 1.485 1.00 14.21 H new ATOM 0 HG2 ARG A 203 36.912 7.559 3.534 1.00 23.13 H new ATOM 0 HG3 ARG A 203 36.114 6.214 2.742 1.00 23.13 H new ATOM 0 HD2 ARG A 203 37.780 6.378 0.865 1.00 1.41 H new ATOM 0 HD3 ARG A 203 38.603 7.654 1.739 1.00 1.41 H new ATOM 0 HE ARG A 203 38.528 5.611 3.592 1.00 45.32 H new ATOM 0 HH11 ARG A 203 39.566 5.867 0.226 1.00 11.13 H new ATOM 0 HH12 ARG A 203 40.808 4.622 0.394 1.00 11.13 H new ATOM 0 HH21 ARG A 203 40.126 4.013 3.798 1.00 21.03 H new ATOM 0 HH22 ARG A 203 41.123 3.577 2.406 1.00 21.03 H new ATOM 563 N HIS A 204 32.702 9.897 1.713 1.00 33.51 N ATOM 564 CA HIS A 204 32.025 11.002 1.045 1.00 72.31 C ATOM 565 C HIS A 204 31.799 12.163 2.008 1.00 74.02 C ATOM 566 O HIS A 204 30.719 12.755 2.040 1.00 73.13 O ATOM 567 CB HIS A 204 30.688 10.535 0.467 1.00 12.23 C ATOM 568 CG HIS A 204 30.809 9.345 -0.435 1.00 15.12 C ATOM 569 ND1 HIS A 204 31.016 9.450 -1.794 1.00 31.45 N ATOM 570 CD2 HIS A 204 30.751 8.020 -0.164 1.00 41.15 C ATOM 571 CE1 HIS A 204 31.079 8.240 -2.322 1.00 32.15 C ATOM 572 NE2 HIS A 204 30.922 7.354 -1.353 1.00 54.35 N ATOM 0 H HIS A 204 32.077 9.239 2.178 1.00 33.51 H new ATOM 0 HA HIS A 204 32.663 11.347 0.231 1.00 72.31 H new ATOM 0 HB2 HIS A 204 30.012 10.292 1.287 1.00 12.23 H new ATOM 0 HB3 HIS A 204 30.234 11.356 -0.088 1.00 12.23 H new ATOM 0 HD2 HIS A 204 30.599 7.570 0.806 1.00 41.15 H new ATOM 0 HE1 HIS A 204 31.233 8.013 -3.367 1.00 32.15 H new ATOM 0 HE2 HIS A 204 30.927 6.341 -1.470 1.00 54.35 H new ATOM 579 N ARG A 205 32.823 12.483 2.792 1.00 55.22 N ATOM 580 CA ARG A 205 32.734 13.573 3.758 1.00 63.44 C ATOM 581 C ARG A 205 33.233 14.880 3.150 1.00 50.03 C ATOM 582 O ARG A 205 32.586 15.920 3.274 1.00 65.12 O ATOM 583 CB ARG A 205 33.544 13.237 5.011 1.00 3.24 C ATOM 584 CG ARG A 205 32.697 13.098 6.265 1.00 73.22 C ATOM 585 CD ARG A 205 33.213 13.983 7.388 1.00 24.34 C ATOM 586 NE ARG A 205 32.407 15.190 7.547 1.00 10.34 N ATOM 587 CZ ARG A 205 32.756 16.210 8.325 1.00 51.22 C ATOM 588 NH1 ARG A 205 33.891 16.168 9.010 1.00 32.41 N ATOM 589 NH2 ARG A 205 31.970 17.275 8.417 1.00 33.44 N ATOM 0 H ARG A 205 33.723 12.004 2.778 1.00 55.22 H new ATOM 0 HA ARG A 205 31.687 13.698 4.033 1.00 63.44 H new ATOM 0 HB2 ARG A 205 34.086 12.306 4.844 1.00 3.24 H new ATOM 0 HB3 ARG A 205 34.290 14.016 5.171 1.00 3.24 H new ATOM 0 HG2 ARG A 205 31.664 13.362 6.038 1.00 73.22 H new ATOM 0 HG3 ARG A 205 32.696 12.058 6.591 1.00 73.22 H new ATOM 0 HD2 ARG A 205 33.212 13.421 8.322 1.00 24.34 H new ATOM 0 HD3 ARG A 205 34.247 14.262 7.184 1.00 24.34 H new ATOM 0 HE ARG A 205 31.528 15.254 7.033 1.00 10.34 H new ATOM 0 HH11 ARG A 205 34.499 15.352 8.941 1.00 32.41 H new ATOM 0 HH12 ARG A 205 34.156 16.952 9.606 1.00 32.41 H new ATOM 0 HH21 ARG A 205 31.097 17.312 7.891 1.00 33.44 H new ATOM 0 HH22 ARG A 205 32.239 18.057 9.014 1.00 33.44 H new ATOM 603 N ASP A 206 34.387 14.819 2.495 1.00 51.12 N ATOM 604 CA ASP A 206 34.974 15.997 1.867 1.00 12.13 C ATOM 605 C ASP A 206 34.457 16.167 0.442 1.00 40.22 C ATOM 606 O ASP A 206 34.928 17.029 -0.302 1.00 11.04 O ATOM 607 CB ASP A 206 36.499 15.892 1.861 1.00 50.44 C ATOM 608 CG ASP A 206 37.171 17.235 1.650 1.00 61.02 C ATOM 609 OD1 ASP A 206 37.218 18.033 2.610 1.00 75.14 O ATOM 610 OD2 ASP A 206 37.652 17.487 0.526 1.00 14.21 O ATOM 0 H ASP A 206 34.935 13.966 2.385 1.00 51.12 H new ATOM 0 HA ASP A 206 34.681 16.872 2.447 1.00 12.13 H new ATOM 0 HB2 ASP A 206 36.835 15.466 2.806 1.00 50.44 H new ATOM 0 HB3 ASP A 206 36.810 15.206 1.073 1.00 50.44 H new ATOM 615 N HIS A 207 33.486 15.340 0.067 1.00 45.42 N ATOM 616 CA HIS A 207 32.906 15.400 -1.270 1.00 24.44 C ATOM 617 C HIS A 207 31.849 16.496 -1.355 1.00 74.33 C ATOM 618 O HIS A 207 30.857 16.471 -0.626 1.00 52.34 O ATOM 619 CB HIS A 207 32.289 14.050 -1.642 1.00 3.54 C ATOM 620 CG HIS A 207 33.299 12.957 -1.813 1.00 25.11 C ATOM 621 ND1 HIS A 207 32.966 11.682 -2.216 1.00 62.11 N ATOM 622 CD2 HIS A 207 34.641 12.956 -1.637 1.00 25.23 C ATOM 623 CE1 HIS A 207 34.058 10.942 -2.278 1.00 4.24 C ATOM 624 NE2 HIS A 207 35.089 11.692 -1.931 1.00 41.10 N ATOM 0 H HIS A 207 33.085 14.621 0.669 1.00 45.42 H new ATOM 0 HA HIS A 207 33.704 15.634 -1.975 1.00 24.44 H new ATOM 0 HB2 HIS A 207 31.578 13.759 -0.868 1.00 3.54 H new ATOM 0 HB3 HIS A 207 31.725 14.160 -2.568 1.00 3.54 H new ATOM 0 HD1 HIS A 207 32.023 11.360 -2.433 1.00 62.11 H new ATOM 0 HD2 HIS A 207 35.247 13.794 -1.324 1.00 25.23 H new ATOM 0 HE1 HIS A 207 34.101 9.901 -2.564 1.00 4.24 H new ATOM 631 N GLN A 208 32.068 17.455 -2.249 1.00 30.13 N ATOM 632 CA GLN A 208 31.135 18.560 -2.427 1.00 15.30 C ATOM 633 C GLN A 208 29.756 18.049 -2.834 1.00 63.22 C ATOM 634 O GLN A 208 29.639 17.074 -3.577 1.00 21.14 O ATOM 635 CB GLN A 208 31.660 19.536 -3.482 1.00 24.41 C ATOM 636 CG GLN A 208 32.014 20.904 -2.923 1.00 34.12 C ATOM 637 CD GLN A 208 33.485 21.235 -3.073 1.00 53.12 C ATOM 638 OE1 GLN A 208 34.063 21.070 -4.148 1.00 55.35 O ATOM 639 NE2 GLN A 208 34.100 21.706 -1.995 1.00 33.25 N ATOM 0 H GLN A 208 32.883 17.488 -2.861 1.00 30.13 H new ATOM 0 HA GLN A 208 31.044 19.080 -1.474 1.00 15.30 H new ATOM 0 HB2 GLN A 208 32.543 19.106 -3.955 1.00 24.41 H new ATOM 0 HB3 GLN A 208 30.907 19.655 -4.261 1.00 24.41 H new ATOM 0 HG2 GLN A 208 31.421 21.664 -3.432 1.00 34.12 H new ATOM 0 HG3 GLN A 208 31.743 20.942 -1.868 1.00 34.12 H new ATOM 0 HE21 GLN A 208 33.582 21.827 -1.124 1.00 33.25 H new ATOM 0 HE22 GLN A 208 35.090 21.947 -2.037 1.00 33.25 H new ATOM 648 N VAL A 209 28.715 18.712 -2.342 1.00 23.11 N ATOM 649 CA VAL A 209 27.345 18.325 -2.654 1.00 72.42 C ATOM 650 C VAL A 209 26.460 19.550 -2.859 1.00 30.32 C ATOM 651 O VAL A 209 26.944 20.681 -2.873 1.00 32.33 O ATOM 652 CB VAL A 209 26.740 17.450 -1.540 1.00 25.23 C ATOM 653 CG1 VAL A 209 27.613 16.229 -1.286 1.00 40.44 C ATOM 654 CG2 VAL A 209 26.561 18.260 -0.265 1.00 52.25 C ATOM 0 H VAL A 209 28.794 19.520 -1.725 1.00 23.11 H new ATOM 0 HA VAL A 209 27.383 17.749 -3.578 1.00 72.42 H new ATOM 0 HB VAL A 209 25.759 17.105 -1.866 1.00 25.23 H new ATOM 0 HG11 VAL A 209 27.170 15.623 -0.496 1.00 40.44 H new ATOM 0 HG12 VAL A 209 27.686 15.638 -2.199 1.00 40.44 H new ATOM 0 HG13 VAL A 209 28.609 16.551 -0.981 1.00 40.44 H new ATOM 0 HG21 VAL A 209 26.133 17.626 0.511 1.00 52.25 H new ATOM 0 HG22 VAL A 209 27.529 18.636 0.066 1.00 52.25 H new ATOM 0 HG23 VAL A 209 25.893 19.099 -0.458 1.00 52.25 H new ATOM 664 N ALA A 210 25.162 19.315 -3.018 1.00 35.31 N ATOM 665 CA ALA A 210 24.209 20.399 -3.220 1.00 10.53 C ATOM 666 C ALA A 210 23.089 20.346 -2.186 1.00 72.33 C ATOM 667 O ALA A 210 22.237 19.458 -2.227 1.00 51.10 O ATOM 668 CB ALA A 210 23.634 20.342 -4.627 1.00 62.02 C ATOM 0 H ALA A 210 24.746 18.384 -3.011 1.00 35.31 H new ATOM 0 HA ALA A 210 24.739 21.343 -3.094 1.00 10.53 H new ATOM 0 HB1 ALA A 210 22.924 21.158 -4.763 1.00 62.02 H new ATOM 0 HB2 ALA A 210 24.441 20.438 -5.354 1.00 62.02 H new ATOM 0 HB3 ALA A 210 23.125 19.389 -4.774 1.00 62.02 H new