USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=9 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 -35:sc= -0.458 USER MOD Set 1.2: A 204 HIS : no HE2:sc= 0.0827 K(o=-0.36,f=-4.9!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 0.02 K(o=-0.36,f=-4.1) USER MOD Set 2.1: A 175 CYS SG : rot -120:sc= 0.373 USER MOD Set 2.2: A 178 HIS : no HE2:sc= -4.13! C(o=-3.3!,f=-3.2!) USER MOD Set 2.3: A 195 CYS SG : rot -96:sc= 0.266 USER MOD Set 2.4: A 198 CYS SG : rot 129:sc= 0.197 USER MOD Set 3.1: A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl -154:sc= -0.0311 (180deg=-0.275) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 189 THR OG1 : rot 120:sc= 0.438 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.558 5.431 -2.323 1.00 45.42 N ATOM 99 CA MET A 174 17.378 4.963 -1.213 1.00 3.24 C ATOM 100 C MET A 174 18.732 4.465 -1.709 1.00 61.12 C ATOM 101 O MET A 174 18.840 4.074 -2.870 1.00 22.11 O ATOM 102 CB MET A 174 16.659 3.846 -0.454 1.00 11.32 C ATOM 103 CG MET A 174 15.433 4.322 0.309 1.00 42.13 C ATOM 104 SD MET A 174 13.917 3.516 -0.239 1.00 34.20 S ATOM 105 CE MET A 174 12.701 4.355 0.774 1.00 3.15 C ATOM 0 HA MET A 174 17.544 5.803 -0.538 1.00 3.24 H new ATOM 0 HB2 MET A 174 16.359 3.072 -1.161 1.00 11.32 H new ATOM 0 HB3 MET A 174 17.357 3.386 0.246 1.00 11.32 H new ATOM 0 HG2 MET A 174 15.576 4.133 1.373 1.00 42.13 H new ATOM 0 HG3 MET A 174 15.331 5.400 0.188 1.00 42.13 H new ATOM 0 HE1 MET A 174 11.708 3.964 0.549 1.00 3.15 H new ATOM 0 HE2 MET A 174 12.927 4.188 1.827 1.00 3.15 H new ATOM 0 HE3 MET A 174 12.727 5.424 0.563 1.00 3.15 H new ATOM 115 N CYS A 175 19.724 4.491 -0.830 1.00 71.33 N ATOM 116 CA CYS A 175 21.057 4.040 -1.193 1.00 51.14 C ATOM 117 C CYS A 175 20.951 2.614 -1.737 1.00 52.00 C ATOM 118 O CYS A 175 19.972 1.900 -1.512 1.00 63.42 O ATOM 119 CB CYS A 175 22.025 4.130 -0.011 1.00 73.40 C ATOM 120 SG CYS A 175 23.673 4.673 -0.593 1.00 0.01 S ATOM 0 H CYS A 175 19.631 4.817 0.132 1.00 71.33 H new ATOM 0 HA CYS A 175 21.467 4.692 -1.965 1.00 51.14 H new ATOM 0 HB2 CYS A 175 21.643 4.831 0.730 1.00 73.40 H new ATOM 0 HB3 CYS A 175 22.105 3.160 0.479 1.00 73.40 H new ATOM 0 HG CYS A 175 24.556 3.763 -0.307 1.00 0.01 H new ATOM 125 N LEU A 176 21.987 2.211 -2.464 1.00 53.52 N ATOM 126 CA LEU A 176 22.036 0.878 -3.053 1.00 25.42 C ATOM 127 C LEU A 176 22.300 -0.179 -1.986 1.00 70.12 C ATOM 128 O LEU A 176 21.613 -1.199 -1.926 1.00 44.22 O ATOM 129 CB LEU A 176 23.122 0.815 -4.129 1.00 31.23 C ATOM 130 CG LEU A 176 22.689 1.202 -5.543 1.00 2.11 C ATOM 131 CD1 LEU A 176 22.268 2.663 -5.591 1.00 52.33 C ATOM 132 CD2 LEU A 176 23.810 0.935 -6.537 1.00 12.22 C ATOM 0 H LEU A 176 22.805 2.789 -2.660 1.00 53.52 H new ATOM 0 HA LEU A 176 21.068 0.673 -3.510 1.00 25.42 H new ATOM 0 HB2 LEU A 176 23.941 1.469 -3.829 1.00 31.23 H new ATOM 0 HB3 LEU A 176 23.519 -0.200 -4.157 1.00 31.23 H new ATOM 0 HG LEU A 176 21.832 0.589 -5.820 1.00 2.11 H new ATOM 0 HD11 LEU A 176 21.963 2.921 -6.605 1.00 52.33 H new ATOM 0 HD12 LEU A 176 21.433 2.824 -4.909 1.00 52.33 H new ATOM 0 HD13 LEU A 176 23.106 3.293 -5.293 1.00 52.33 H new ATOM 0 HD21 LEU A 176 23.483 1.217 -7.538 1.00 12.22 H new ATOM 0 HD22 LEU A 176 24.687 1.522 -6.263 1.00 12.22 H new ATOM 0 HD23 LEU A 176 24.064 -0.125 -6.523 1.00 12.22 H new ATOM 144 N GLU A 177 23.297 0.073 -1.144 1.00 2.10 N ATOM 145 CA GLU A 177 23.650 -0.858 -0.078 1.00 24.01 C ATOM 146 C GLU A 177 22.772 -0.636 1.151 1.00 40.21 C ATOM 147 O GLU A 177 22.311 -1.589 1.779 1.00 42.33 O ATOM 148 CB GLU A 177 25.124 -0.700 0.301 1.00 64.53 C ATOM 149 CG GLU A 177 26.080 -1.317 -0.706 1.00 72.21 C ATOM 150 CD GLU A 177 26.982 -0.289 -1.361 1.00 74.10 C ATOM 151 OE1 GLU A 177 26.479 0.793 -1.729 1.00 64.34 O ATOM 152 OE2 GLU A 177 28.191 -0.568 -1.506 1.00 11.52 O ATOM 0 H GLU A 177 23.874 0.913 -1.179 1.00 2.10 H new ATOM 0 HA GLU A 177 23.483 -1.871 -0.446 1.00 24.01 H new ATOM 0 HB2 GLU A 177 25.352 0.361 0.404 1.00 64.53 H new ATOM 0 HB3 GLU A 177 25.291 -1.158 1.276 1.00 64.53 H new ATOM 0 HG2 GLU A 177 26.693 -2.067 -0.207 1.00 72.21 H new ATOM 0 HG3 GLU A 177 25.507 -1.835 -1.475 1.00 72.21 H new ATOM 159 N HIS A 178 22.546 0.631 1.487 1.00 21.40 N ATOM 160 CA HIS A 178 21.725 0.979 2.642 1.00 72.34 C ATOM 161 C HIS A 178 20.266 1.167 2.234 1.00 51.13 C ATOM 162 O HIS A 178 19.709 2.255 2.375 1.00 33.35 O ATOM 163 CB HIS A 178 22.250 2.255 3.301 1.00 21.22 C ATOM 164 CG HIS A 178 23.735 2.261 3.492 1.00 43.41 C ATOM 165 ND1 HIS A 178 24.611 2.780 2.562 1.00 65.22 N ATOM 166 CD2 HIS A 178 24.499 1.811 4.515 1.00 13.24 C ATOM 167 CE1 HIS A 178 25.849 2.647 3.003 1.00 24.12 C ATOM 168 NE2 HIS A 178 25.809 2.062 4.187 1.00 51.14 N ATOM 0 H HIS A 178 22.919 1.432 0.977 1.00 21.40 H new ATOM 0 HA HIS A 178 21.782 0.159 3.358 1.00 72.34 H new ATOM 0 HB2 HIS A 178 21.967 3.113 2.691 1.00 21.22 H new ATOM 0 HB3 HIS A 178 21.766 2.379 4.270 1.00 21.22 H new ATOM 0 HD1 HIS A 178 24.344 3.201 1.672 1.00 65.22 H new ATOM 0 HD2 HIS A 178 24.144 1.342 5.421 1.00 13.24 H new ATOM 0 HE1 HIS A 178 26.742 2.963 2.484 1.00 24.12 H new ATOM 175 N GLU A 179 19.657 0.100 1.727 1.00 55.04 N ATOM 176 CA GLU A 179 18.264 0.150 1.296 1.00 64.30 C ATOM 177 C GLU A 179 17.372 0.702 2.404 1.00 1.13 C ATOM 178 O GLU A 179 16.344 1.324 2.136 1.00 74.13 O ATOM 179 CB GLU A 179 17.784 -1.244 0.887 1.00 72.12 C ATOM 180 CG GLU A 179 18.184 -2.337 1.863 1.00 70.31 C ATOM 181 CD GLU A 179 19.329 -3.189 1.349 1.00 14.11 C ATOM 182 OE1 GLU A 179 19.293 -3.574 0.162 1.00 64.40 O ATOM 183 OE2 GLU A 179 20.260 -3.468 2.133 1.00 73.54 O ATOM 0 H GLU A 179 20.105 -0.808 1.605 1.00 55.04 H new ATOM 0 HA GLU A 179 18.200 0.816 0.435 1.00 64.30 H new ATOM 0 HB2 GLU A 179 16.698 -1.232 0.793 1.00 72.12 H new ATOM 0 HB3 GLU A 179 18.186 -1.483 -0.098 1.00 72.12 H new ATOM 0 HG2 GLU A 179 18.471 -1.884 2.812 1.00 70.31 H new ATOM 0 HG3 GLU A 179 17.322 -2.975 2.062 1.00 70.31 H new ATOM 190 N ASP A 180 17.772 0.468 3.649 1.00 3.23 N ATOM 191 CA ASP A 180 17.010 0.942 4.798 1.00 21.24 C ATOM 192 C ASP A 180 17.532 2.292 5.279 1.00 70.43 C ATOM 193 O ASP A 180 17.537 2.576 6.476 1.00 53.02 O ATOM 194 CB ASP A 180 17.076 -0.079 5.937 1.00 73.04 C ATOM 195 CG ASP A 180 16.153 -1.259 5.711 1.00 70.20 C ATOM 196 OD1 ASP A 180 15.453 -1.276 4.677 1.00 53.14 O ATOM 197 OD2 ASP A 180 16.131 -2.168 6.567 1.00 10.10 O ATOM 0 H ASP A 180 18.619 -0.047 3.888 1.00 3.23 H new ATOM 0 HA ASP A 180 15.972 1.064 4.488 1.00 21.24 H new ATOM 0 HB2 ASP A 180 18.100 -0.437 6.041 1.00 73.04 H new ATOM 0 HB3 ASP A 180 16.813 0.410 6.875 1.00 73.04 H new ATOM 202 N GLU A 181 17.972 3.120 4.336 1.00 61.24 N ATOM 203 CA GLU A 181 18.498 4.439 4.664 1.00 44.04 C ATOM 204 C GLU A 181 18.285 5.412 3.507 1.00 2.25 C ATOM 205 O GLU A 181 19.075 5.455 2.564 1.00 55.33 O ATOM 206 CB GLU A 181 19.988 4.349 5.002 1.00 34.32 C ATOM 207 CG GLU A 181 20.371 5.095 6.269 1.00 40.53 C ATOM 208 CD GLU A 181 21.198 6.335 5.989 1.00 74.50 C ATOM 209 OE1 GLU A 181 21.033 6.926 4.900 1.00 34.43 O ATOM 210 OE2 GLU A 181 22.009 6.715 6.858 1.00 11.34 O ATOM 0 H GLU A 181 17.974 2.900 3.340 1.00 61.24 H new ATOM 0 HA GLU A 181 17.958 4.812 5.534 1.00 44.04 H new ATOM 0 HB2 GLU A 181 20.265 3.300 5.110 1.00 34.32 H new ATOM 0 HB3 GLU A 181 20.566 4.747 4.168 1.00 34.32 H new ATOM 0 HG2 GLU A 181 19.466 5.380 6.806 1.00 40.53 H new ATOM 0 HG3 GLU A 181 20.933 4.428 6.923 1.00 40.53 H new ATOM 217 N LYS A 182 17.213 6.193 3.588 1.00 22.35 N ATOM 218 CA LYS A 182 16.894 7.166 2.552 1.00 41.43 C ATOM 219 C LYS A 182 18.054 8.136 2.340 1.00 74.40 C ATOM 220 O LYS A 182 18.608 8.674 3.299 1.00 74.33 O ATOM 221 CB LYS A 182 15.628 7.942 2.922 1.00 31.34 C ATOM 222 CG LYS A 182 14.665 8.124 1.762 1.00 24.51 C ATOM 223 CD LYS A 182 13.365 8.769 2.212 1.00 32.04 C ATOM 224 CE LYS A 182 12.551 9.266 1.029 1.00 55.45 C ATOM 225 NZ LYS A 182 11.435 8.339 0.693 1.00 22.54 N ATOM 0 H LYS A 182 16.550 6.170 4.363 1.00 22.35 H new ATOM 0 HA LYS A 182 16.721 6.624 1.622 1.00 41.43 H new ATOM 0 HB2 LYS A 182 15.115 7.420 3.730 1.00 31.34 H new ATOM 0 HB3 LYS A 182 15.912 8.922 3.305 1.00 31.34 H new ATOM 0 HG2 LYS A 182 15.132 8.741 0.994 1.00 24.51 H new ATOM 0 HG3 LYS A 182 14.454 7.156 1.308 1.00 24.51 H new ATOM 0 HD2 LYS A 182 12.778 8.048 2.782 1.00 32.04 H new ATOM 0 HD3 LYS A 182 13.583 9.602 2.880 1.00 32.04 H new ATOM 0 HE2 LYS A 182 12.147 10.253 1.255 1.00 55.45 H new ATOM 0 HE3 LYS A 182 13.202 9.379 0.162 1.00 55.45 H new ATOM 0 HZ1 LYS A 182 10.905 8.714 -0.119 1.00 22.54 H new ATOM 0 HZ2 LYS A 182 11.821 7.404 0.452 1.00 22.54 H new ATOM 0 HZ3 LYS A 182 10.799 8.251 1.511 1.00 22.54 H new ATOM 239 N VAL A 183 18.413 8.355 1.079 1.00 0.43 N ATOM 240 CA VAL A 183 19.503 9.262 0.743 1.00 51.30 C ATOM 241 C VAL A 183 19.203 10.681 1.214 1.00 11.11 C ATOM 242 O VAL A 183 18.067 11.005 1.556 1.00 21.14 O ATOM 243 CB VAL A 183 19.768 9.283 -0.774 1.00 71.14 C ATOM 244 CG1 VAL A 183 20.320 7.943 -1.239 1.00 55.20 C ATOM 245 CG2 VAL A 183 18.497 9.637 -1.532 1.00 4.33 C ATOM 0 H VAL A 183 17.965 7.917 0.274 1.00 0.43 H new ATOM 0 HA VAL A 183 20.391 8.892 1.255 1.00 51.30 H new ATOM 0 HB VAL A 183 20.515 10.049 -0.984 1.00 71.14 H new ATOM 0 HG11 VAL A 183 20.501 7.977 -2.313 1.00 55.20 H new ATOM 0 HG12 VAL A 183 21.256 7.735 -0.720 1.00 55.20 H new ATOM 0 HG13 VAL A 183 19.599 7.156 -1.017 1.00 55.20 H new ATOM 0 HG21 VAL A 183 18.703 9.647 -2.602 1.00 4.33 H new ATOM 0 HG22 VAL A 183 17.727 8.896 -1.317 1.00 4.33 H new ATOM 0 HG23 VAL A 183 18.150 10.622 -1.220 1.00 4.33 H new ATOM 255 N ASN A 184 20.231 11.523 1.229 1.00 10.45 N ATOM 256 CA ASN A 184 20.078 12.909 1.659 1.00 52.12 C ATOM 257 C ASN A 184 20.451 13.871 0.535 1.00 74.24 C ATOM 258 O ASN A 184 19.845 14.933 0.387 1.00 23.41 O ATOM 259 CB ASN A 184 20.946 13.183 2.889 1.00 33.12 C ATOM 260 CG ASN A 184 20.155 13.794 4.029 1.00 25.15 C ATOM 261 OD1 ASN A 184 19.631 14.902 3.913 1.00 5.40 O ATOM 262 ND2 ASN A 184 20.065 13.073 5.140 1.00 32.32 N ATOM 0 H ASN A 184 21.179 11.270 0.949 1.00 10.45 H new ATOM 0 HA ASN A 184 19.032 13.069 1.919 1.00 52.12 H new ATOM 0 HB2 ASN A 184 21.401 12.251 3.224 1.00 33.12 H new ATOM 0 HB3 ASN A 184 21.760 13.854 2.614 1.00 33.12 H new ATOM 0 HD21 ASN A 184 19.546 13.433 5.941 1.00 32.32 H new ATOM 0 HD22 ASN A 184 20.515 12.159 5.193 1.00 32.32 H new ATOM 269 N MET A 185 21.450 13.492 -0.254 1.00 2.14 N ATOM 270 CA MET A 185 21.903 14.320 -1.365 1.00 50.03 C ATOM 271 C MET A 185 22.732 13.503 -2.351 1.00 63.31 C ATOM 272 O MET A 185 22.767 12.274 -2.277 1.00 45.43 O ATOM 273 CB MET A 185 22.725 15.502 -0.847 1.00 24.10 C ATOM 274 CG MET A 185 22.247 16.849 -1.365 1.00 23.52 C ATOM 275 SD MET A 185 21.233 17.734 -0.167 1.00 11.44 S ATOM 276 CE MET A 185 19.743 18.009 -1.121 1.00 70.02 C ATOM 0 H MET A 185 21.962 12.616 -0.145 1.00 2.14 H new ATOM 0 HA MET A 185 21.023 14.699 -1.884 1.00 50.03 H new ATOM 0 HB2 MET A 185 22.691 15.508 0.242 1.00 24.10 H new ATOM 0 HB3 MET A 185 23.768 15.362 -1.132 1.00 24.10 H new ATOM 0 HG2 MET A 185 23.111 17.461 -1.626 1.00 23.52 H new ATOM 0 HG3 MET A 185 21.674 16.699 -2.280 1.00 23.52 H new ATOM 0 HE1 MET A 185 19.226 18.891 -0.742 1.00 70.02 H new ATOM 0 HE2 MET A 185 20.005 18.163 -2.168 1.00 70.02 H new ATOM 0 HE3 MET A 185 19.090 17.141 -1.034 1.00 70.02 H new ATOM 286 N TYR A 186 23.398 14.191 -3.271 1.00 54.45 N ATOM 287 CA TYR A 186 24.224 13.529 -4.273 1.00 25.03 C ATOM 288 C TYR A 186 25.591 14.198 -4.381 1.00 13.53 C ATOM 289 O TYR A 186 25.665 15.425 -4.352 1.00 2.40 O ATOM 290 CB TYR A 186 23.526 13.547 -5.634 1.00 62.31 C ATOM 291 CG TYR A 186 24.060 14.604 -6.574 1.00 52.10 C ATOM 292 CD1 TYR A 186 23.702 15.938 -6.424 1.00 1.03 C ATOM 293 CD2 TYR A 186 24.919 14.270 -7.612 1.00 22.50 C ATOM 294 CE1 TYR A 186 24.186 16.908 -7.281 1.00 4.34 C ATOM 295 CE2 TYR A 186 25.410 15.233 -8.473 1.00 20.44 C ATOM 296 CZ TYR A 186 25.040 16.550 -8.303 1.00 10.43 C ATOM 297 OH TYR A 186 25.524 17.512 -9.159 1.00 50.44 O ATOM 0 H TYR A 186 23.382 15.208 -3.344 1.00 54.45 H new ATOM 0 HA TYR A 186 24.369 12.495 -3.961 1.00 25.03 H new ATOM 0 HB2 TYR A 186 23.635 12.568 -6.102 1.00 62.31 H new ATOM 0 HB3 TYR A 186 22.459 13.712 -5.484 1.00 62.31 H new ATOM 0 HD1 TYR A 186 23.034 16.222 -5.624 1.00 1.03 H new ATOM 0 HD2 TYR A 186 25.209 13.239 -7.749 1.00 22.50 H new ATOM 0 HE1 TYR A 186 23.897 17.941 -7.151 1.00 4.34 H new ATOM 0 HE2 TYR A 186 26.079 14.956 -9.274 1.00 20.44 H new ATOM 0 HH TYR A 186 26.113 17.094 -9.821 1.00 50.44 H new ATOM 307 N CYS A 187 26.631 13.386 -4.501 1.00 32.54 N ATOM 308 CA CYS A 187 27.981 13.910 -4.612 1.00 43.11 C ATOM 309 C CYS A 187 28.145 14.523 -6.005 1.00 11.32 C ATOM 310 O CYS A 187 28.112 13.838 -7.027 1.00 5.20 O ATOM 311 CB CYS A 187 29.031 12.832 -4.336 1.00 51.02 C ATOM 312 SG CYS A 187 29.905 13.197 -2.771 1.00 2.34 S ATOM 0 H CYS A 187 26.565 12.368 -4.524 1.00 32.54 H new ATOM 0 HA CYS A 187 28.138 14.679 -3.856 1.00 43.11 H new ATOM 0 HB2 CYS A 187 28.553 11.854 -4.276 1.00 51.02 H new ATOM 0 HB3 CYS A 187 29.744 12.788 -5.159 1.00 51.02 H new ATOM 0 HG CYS A 187 30.041 14.483 -2.640 1.00 2.34 H new ATOM 317 N VAL A 188 28.324 15.840 -6.021 1.00 51.03 N ATOM 318 CA VAL A 188 28.497 16.573 -7.270 1.00 23.50 C ATOM 319 C VAL A 188 29.885 16.337 -7.857 1.00 13.13 C ATOM 320 O VAL A 188 30.072 16.379 -9.073 1.00 70.23 O ATOM 321 CB VAL A 188 28.288 18.085 -7.068 1.00 33.01 C ATOM 322 CG1 VAL A 188 28.446 18.827 -8.385 1.00 63.44 C ATOM 323 CG2 VAL A 188 26.922 18.356 -6.455 1.00 71.51 C ATOM 0 H VAL A 188 28.353 16.421 -5.183 1.00 51.03 H new ATOM 0 HA VAL A 188 27.743 16.200 -7.963 1.00 23.50 H new ATOM 0 HB VAL A 188 29.050 18.450 -6.379 1.00 33.01 H new ATOM 0 HG11 VAL A 188 28.295 19.894 -8.222 1.00 63.44 H new ATOM 0 HG12 VAL A 188 29.448 18.659 -8.779 1.00 63.44 H new ATOM 0 HG13 VAL A 188 27.709 18.461 -9.100 1.00 63.44 H new ATOM 0 HG21 VAL A 188 26.791 19.429 -6.319 1.00 71.51 H new ATOM 0 HG22 VAL A 188 26.144 17.976 -7.117 1.00 71.51 H new ATOM 0 HG23 VAL A 188 26.851 17.857 -5.489 1.00 71.51 H new ATOM 333 N THR A 189 30.856 16.088 -6.984 1.00 75.23 N ATOM 334 CA THR A 189 32.227 15.847 -7.414 1.00 62.43 C ATOM 335 C THR A 189 32.323 14.587 -8.268 1.00 11.13 C ATOM 336 O THR A 189 32.798 14.629 -9.403 1.00 30.11 O ATOM 337 CB THR A 189 33.179 15.712 -6.211 1.00 20.20 C ATOM 338 OG1 THR A 189 32.428 15.446 -5.020 1.00 62.43 O ATOM 339 CG2 THR A 189 34.002 16.978 -6.026 1.00 35.51 C ATOM 0 H THR A 189 30.718 16.048 -5.974 1.00 75.23 H new ATOM 0 HA THR A 189 32.527 16.710 -8.009 1.00 62.43 H new ATOM 0 HB THR A 189 33.859 14.882 -6.405 1.00 20.20 H new ATOM 0 HG1 THR A 189 32.709 14.587 -4.641 1.00 62.43 H new ATOM 0 HG21 THR A 189 34.667 16.858 -5.170 1.00 35.51 H new ATOM 0 HG22 THR A 189 34.594 17.161 -6.923 1.00 35.51 H new ATOM 0 HG23 THR A 189 33.336 17.823 -5.852 1.00 35.51 H new ATOM 347 N ASP A 190 31.868 13.468 -7.715 1.00 53.10 N ATOM 348 CA ASP A 190 31.900 12.196 -8.427 1.00 33.31 C ATOM 349 C ASP A 190 30.608 11.977 -9.208 1.00 32.03 C ATOM 350 O ASP A 190 30.476 11.003 -9.949 1.00 52.14 O ATOM 351 CB ASP A 190 32.119 11.043 -7.445 1.00 53.44 C ATOM 352 CG ASP A 190 33.017 11.432 -6.288 1.00 32.34 C ATOM 353 OD1 ASP A 190 34.247 11.500 -6.488 1.00 40.32 O ATOM 354 OD2 ASP A 190 32.489 11.667 -5.179 1.00 61.35 O ATOM 0 H ASP A 190 31.473 13.416 -6.776 1.00 53.10 H new ATOM 0 HA ASP A 190 32.730 12.224 -9.133 1.00 33.31 H new ATOM 0 HB2 ASP A 190 31.156 10.711 -7.058 1.00 53.44 H new ATOM 0 HB3 ASP A 190 32.558 10.197 -7.974 1.00 53.44 H new ATOM 359 N ASP A 191 29.657 12.889 -9.035 1.00 64.34 N ATOM 360 CA ASP A 191 28.375 12.796 -9.725 1.00 20.24 C ATOM 361 C ASP A 191 27.687 11.470 -9.416 1.00 65.52 C ATOM 362 O ASP A 191 27.260 10.756 -10.323 1.00 0.13 O ATOM 363 CB ASP A 191 28.571 12.944 -11.234 1.00 74.20 C ATOM 364 CG ASP A 191 27.391 13.616 -11.907 1.00 74.45 C ATOM 365 OD1 ASP A 191 26.239 13.289 -11.554 1.00 31.32 O ATOM 366 OD2 ASP A 191 27.619 14.471 -12.789 1.00 1.11 O ATOM 0 H ASP A 191 29.749 13.700 -8.424 1.00 64.34 H new ATOM 0 HA ASP A 191 27.739 13.606 -9.369 1.00 20.24 H new ATOM 0 HB2 ASP A 191 29.474 13.524 -11.425 1.00 74.20 H new ATOM 0 HB3 ASP A 191 28.725 11.960 -11.676 1.00 74.20 H new ATOM 371 N GLN A 192 27.585 11.146 -8.131 1.00 12.41 N ATOM 372 CA GLN A 192 26.951 9.905 -7.704 1.00 1.04 C ATOM 373 C GLN A 192 26.181 10.107 -6.403 1.00 3.24 C ATOM 374 O GLN A 192 26.726 10.606 -5.417 1.00 2.33 O ATOM 375 CB GLN A 192 28.000 8.808 -7.524 1.00 25.34 C ATOM 376 CG GLN A 192 27.463 7.406 -7.770 1.00 4.11 C ATOM 377 CD GLN A 192 28.545 6.434 -8.198 1.00 43.03 C ATOM 378 OE1 GLN A 192 28.521 5.913 -9.314 1.00 13.13 O ATOM 379 NE2 GLN A 192 29.501 6.184 -7.313 1.00 4.33 N ATOM 0 H GLN A 192 27.933 11.726 -7.368 1.00 12.41 H new ATOM 0 HA GLN A 192 26.247 9.601 -8.478 1.00 1.04 H new ATOM 0 HB2 GLN A 192 28.830 8.995 -8.206 1.00 25.34 H new ATOM 0 HB3 GLN A 192 28.400 8.862 -6.512 1.00 25.34 H new ATOM 0 HG2 GLN A 192 26.988 7.038 -6.860 1.00 4.11 H new ATOM 0 HG3 GLN A 192 26.691 7.446 -8.539 1.00 4.11 H new ATOM 0 HE21 GLN A 192 29.482 6.638 -6.400 1.00 4.33 H new ATOM 0 HE22 GLN A 192 30.255 5.538 -7.546 1.00 4.33 H new ATOM 388 N LEU A 193 24.912 9.716 -6.405 1.00 52.03 N ATOM 389 CA LEU A 193 24.065 9.854 -5.225 1.00 62.12 C ATOM 390 C LEU A 193 24.739 9.248 -3.998 1.00 71.35 C ATOM 391 O LEU A 193 25.518 8.301 -4.110 1.00 21.40 O ATOM 392 CB LEU A 193 22.711 9.183 -5.462 1.00 64.24 C ATOM 393 CG LEU A 193 21.479 10.004 -5.082 1.00 10.32 C ATOM 394 CD1 LEU A 193 20.262 9.533 -5.862 1.00 31.12 C ATOM 395 CD2 LEU A 193 21.222 9.918 -3.585 1.00 55.11 C ATOM 0 H LEU A 193 24.446 9.300 -7.211 1.00 52.03 H new ATOM 0 HA LEU A 193 23.908 10.917 -5.043 1.00 62.12 H new ATOM 0 HB2 LEU A 193 22.637 8.922 -6.518 1.00 64.24 H new ATOM 0 HB3 LEU A 193 22.688 8.249 -4.900 1.00 64.24 H new ATOM 0 HG LEU A 193 21.668 11.046 -5.339 1.00 10.32 H new ATOM 0 HD11 LEU A 193 19.395 10.129 -5.578 1.00 31.12 H new ATOM 0 HD12 LEU A 193 20.447 9.648 -6.930 1.00 31.12 H new ATOM 0 HD13 LEU A 193 20.070 8.484 -5.638 1.00 31.12 H new ATOM 0 HD21 LEU A 193 20.341 10.508 -3.333 1.00 55.11 H new ATOM 0 HD22 LEU A 193 21.055 8.878 -3.304 1.00 55.11 H new ATOM 0 HD23 LEU A 193 22.086 10.306 -3.045 1.00 55.11 H new ATOM 407 N ILE A 194 24.432 9.798 -2.829 1.00 32.13 N ATOM 408 CA ILE A 194 25.006 9.309 -1.581 1.00 43.11 C ATOM 409 C ILE A 194 24.118 9.660 -0.392 1.00 74.42 C ATOM 410 O ILE A 194 23.535 10.743 -0.374 1.00 44.42 O ATOM 411 CB ILE A 194 26.414 9.888 -1.344 1.00 13.13 C ATOM 412 CG1 ILE A 194 26.461 11.359 -1.762 1.00 70.52 C ATOM 413 CG2 ILE A 194 27.453 9.081 -2.106 1.00 62.31 C ATOM 414 CD1 ILE A 194 27.285 12.225 -0.834 1.00 73.45 C ATOM 0 H ILE A 194 23.789 10.582 -2.719 1.00 32.13 H new ATOM 0 HA ILE A 194 25.078 8.225 -1.670 1.00 43.11 H new ATOM 0 HB ILE A 194 26.643 9.825 -0.280 1.00 13.13 H new ATOM 0 HG12 ILE A 194 26.870 11.429 -2.770 1.00 70.52 H new ATOM 0 HG13 ILE A 194 25.444 11.749 -1.803 1.00 70.52 H new ATOM 0 HG21 ILE A 194 28.443 9.502 -1.929 1.00 62.31 H new ATOM 0 HG22 ILE A 194 27.432 8.046 -1.764 1.00 62.31 H new ATOM 0 HG23 ILE A 194 27.230 9.115 -3.172 1.00 62.31 H new ATOM 0 HD11 ILE A 194 27.274 13.255 -1.192 1.00 73.45 H new ATOM 0 HD12 ILE A 194 26.864 12.185 0.171 1.00 73.45 H new ATOM 0 HD13 ILE A 194 28.312 11.860 -0.812 1.00 73.45 H new ATOM 426 N CYS A 195 24.034 8.747 0.565 1.00 54.31 N ATOM 427 CA CYS A 195 23.217 8.973 1.745 1.00 4.51 C ATOM 428 C CYS A 195 24.119 9.514 2.857 1.00 65.23 C ATOM 429 O CYS A 195 25.305 9.778 2.664 1.00 24.32 O ATOM 430 CB CYS A 195 22.481 7.703 2.176 1.00 74.44 C ATOM 431 SG CYS A 195 23.682 6.446 2.748 1.00 43.32 S ATOM 0 H CYS A 195 24.518 7.850 0.547 1.00 54.31 H new ATOM 0 HA CYS A 195 22.441 9.704 1.518 1.00 4.51 H new ATOM 0 HB2 CYS A 195 21.777 7.935 2.975 1.00 74.44 H new ATOM 0 HB3 CYS A 195 21.899 7.309 1.342 1.00 74.44 H new ATOM 0 HG CYS A 195 23.959 5.635 1.771 1.00 43.32 H new ATOM 436 N ALA A 196 23.524 9.675 4.034 1.00 45.12 N ATOM 437 CA ALA A 196 24.250 10.179 5.194 1.00 63.00 C ATOM 438 C ALA A 196 25.217 9.130 5.735 1.00 41.41 C ATOM 439 O ALA A 196 26.284 9.463 6.251 1.00 22.34 O ATOM 440 CB ALA A 196 23.276 10.610 6.279 1.00 15.43 C ATOM 0 H ALA A 196 22.542 9.464 4.210 1.00 45.12 H new ATOM 0 HA ALA A 196 24.833 11.045 4.879 1.00 63.00 H new ATOM 0 HB1 ALA A 196 23.832 10.984 7.139 1.00 15.43 H new ATOM 0 HB2 ALA A 196 22.629 11.398 5.895 1.00 15.43 H new ATOM 0 HB3 ALA A 196 22.669 9.757 6.582 1.00 15.43 H new ATOM 446 N LEU A 197 24.837 7.863 5.613 1.00 32.12 N ATOM 447 CA LEU A 197 25.670 6.766 6.091 1.00 72.43 C ATOM 448 C LEU A 197 26.928 6.628 5.239 1.00 70.50 C ATOM 449 O LEU A 197 27.926 6.095 5.722 1.00 64.52 O ATOM 450 CB LEU A 197 24.882 5.455 6.071 1.00 13.12 C ATOM 451 CG LEU A 197 24.954 4.609 7.344 1.00 43.05 C ATOM 452 CD1 LEU A 197 23.558 4.251 7.827 1.00 64.41 C ATOM 453 CD2 LEU A 197 25.776 3.352 7.102 1.00 43.05 C ATOM 0 H LEU A 197 23.958 7.570 5.187 1.00 32.12 H new ATOM 0 HA LEU A 197 25.968 6.988 7.116 1.00 72.43 H new ATOM 0 HB2 LEU A 197 23.836 5.686 5.871 1.00 13.12 H new ATOM 0 HB3 LEU A 197 25.240 4.852 5.237 1.00 13.12 H new ATOM 0 HG LEU A 197 25.444 5.196 8.121 1.00 43.05 H new ATOM 0 HD11 LEU A 197 23.630 3.649 8.733 1.00 64.41 H new ATOM 0 HD12 LEU A 197 23.002 5.164 8.040 1.00 64.41 H new ATOM 0 HD13 LEU A 197 23.040 3.683 7.054 1.00 64.41 H new ATOM 0 HD21 LEU A 197 25.817 2.762 8.018 1.00 43.05 H new ATOM 0 HD22 LEU A 197 25.314 2.762 6.310 1.00 43.05 H new ATOM 0 HD23 LEU A 197 26.787 3.630 6.804 1.00 43.05 H new ATOM 465 N CYS A 198 26.855 7.106 4.006 1.00 45.44 N ATOM 466 CA CYS A 198 27.994 7.032 3.106 1.00 32.12 C ATOM 467 C CYS A 198 28.942 8.186 3.434 1.00 11.53 C ATOM 468 O CYS A 198 30.161 8.093 3.287 1.00 33.05 O ATOM 469 CB CYS A 198 27.557 7.051 1.640 1.00 42.13 C ATOM 470 SG CYS A 198 26.979 5.390 1.136 1.00 32.00 S ATOM 0 H CYS A 198 26.025 7.546 3.609 1.00 45.44 H new ATOM 0 HA CYS A 198 28.514 6.085 3.250 1.00 32.12 H new ATOM 0 HB2 CYS A 198 26.759 7.780 1.499 1.00 42.13 H new ATOM 0 HB3 CYS A 198 28.389 7.363 1.008 1.00 42.13 H new ATOM 0 HG CYS A 198 25.811 5.489 0.574 1.00 32.00 H new ATOM 475 N LYS A 199 28.351 9.287 3.888 1.00 5.01 N ATOM 476 CA LYS A 199 29.117 10.475 4.248 1.00 23.53 C ATOM 477 C LYS A 199 29.805 10.290 5.597 1.00 24.40 C ATOM 478 O LYS A 199 30.739 11.018 5.935 1.00 52.13 O ATOM 479 CB LYS A 199 28.205 11.702 4.292 1.00 33.31 C ATOM 480 CG LYS A 199 27.796 12.206 2.919 1.00 64.21 C ATOM 481 CD LYS A 199 27.113 13.561 3.003 1.00 4.12 C ATOM 482 CE LYS A 199 25.600 13.425 2.951 1.00 32.42 C ATOM 483 NZ LYS A 199 24.935 14.725 2.657 1.00 65.14 N ATOM 0 H LYS A 199 27.343 9.381 4.015 1.00 5.01 H new ATOM 0 HA LYS A 199 29.883 10.627 3.487 1.00 23.53 H new ATOM 0 HB2 LYS A 199 27.309 11.458 4.862 1.00 33.31 H new ATOM 0 HB3 LYS A 199 28.714 12.504 4.827 1.00 33.31 H new ATOM 0 HG2 LYS A 199 28.676 12.280 2.281 1.00 64.21 H new ATOM 0 HG3 LYS A 199 27.123 11.487 2.452 1.00 64.21 H new ATOM 0 HD2 LYS A 199 27.403 14.059 3.928 1.00 4.12 H new ATOM 0 HD3 LYS A 199 27.451 14.192 2.181 1.00 4.12 H new ATOM 0 HE2 LYS A 199 25.327 12.697 2.187 1.00 32.42 H new ATOM 0 HE3 LYS A 199 25.237 13.039 3.904 1.00 32.42 H new ATOM 0 HZ1 LYS A 199 23.904 14.589 2.630 1.00 65.14 H new ATOM 0 HZ2 LYS A 199 25.174 15.413 3.399 1.00 65.14 H new ATOM 0 HZ3 LYS A 199 25.261 15.081 1.736 1.00 65.14 H new ATOM 497 N LEU A 200 29.338 9.311 6.365 1.00 64.33 N ATOM 498 CA LEU A 200 29.910 9.029 7.677 1.00 31.44 C ATOM 499 C LEU A 200 30.753 7.758 7.642 1.00 3.43 C ATOM 500 O LEU A 200 31.869 7.727 8.162 1.00 34.51 O ATOM 501 CB LEU A 200 28.799 8.890 8.720 1.00 72.22 C ATOM 502 CG LEU A 200 29.081 9.512 10.087 1.00 14.33 C ATOM 503 CD1 LEU A 200 29.095 11.030 9.989 1.00 21.33 C ATOM 504 CD2 LEU A 200 28.048 9.052 11.106 1.00 70.11 C ATOM 0 H LEU A 200 28.565 8.700 6.102 1.00 64.33 H new ATOM 0 HA LEU A 200 30.556 9.863 7.952 1.00 31.44 H new ATOM 0 HB2 LEU A 200 27.892 9.341 8.318 1.00 72.22 H new ATOM 0 HB3 LEU A 200 28.592 7.829 8.862 1.00 72.22 H new ATOM 0 HG LEU A 200 30.064 9.180 10.420 1.00 14.33 H new ATOM 0 HD11 LEU A 200 29.297 11.456 10.972 1.00 21.33 H new ATOM 0 HD12 LEU A 200 29.872 11.342 9.291 1.00 21.33 H new ATOM 0 HD13 LEU A 200 28.126 11.381 9.634 1.00 21.33 H new ATOM 0 HD21 LEU A 200 28.265 9.505 12.074 1.00 70.11 H new ATOM 0 HD22 LEU A 200 27.054 9.355 10.778 1.00 70.11 H new ATOM 0 HD23 LEU A 200 28.085 7.966 11.197 1.00 70.11 H new ATOM 516 N VAL A 201 30.213 6.712 7.023 1.00 13.54 N ATOM 517 CA VAL A 201 30.916 5.440 6.917 1.00 3.05 C ATOM 518 C VAL A 201 31.768 5.387 5.653 1.00 33.11 C ATOM 519 O VAL A 201 32.911 4.936 5.681 1.00 21.31 O ATOM 520 CB VAL A 201 29.934 4.254 6.911 1.00 34.24 C ATOM 521 CG1 VAL A 201 30.690 2.935 6.895 1.00 23.12 C ATOM 522 CG2 VAL A 201 29.001 4.329 8.111 1.00 2.40 C ATOM 0 H VAL A 201 29.291 6.722 6.588 1.00 13.54 H new ATOM 0 HA VAL A 201 31.562 5.362 7.791 1.00 3.05 H new ATOM 0 HB VAL A 201 29.330 4.310 6.006 1.00 34.24 H new ATOM 0 HG11 VAL A 201 29.979 2.108 6.891 1.00 23.12 H new ATOM 0 HG12 VAL A 201 31.312 2.883 6.002 1.00 23.12 H new ATOM 0 HG13 VAL A 201 31.321 2.867 7.781 1.00 23.12 H new ATOM 0 HG21 VAL A 201 28.314 3.483 8.091 1.00 2.40 H new ATOM 0 HG22 VAL A 201 29.587 4.299 9.030 1.00 2.40 H new ATOM 0 HG23 VAL A 201 28.433 5.259 8.073 1.00 2.40 H new ATOM 532 N GLY A 202 31.200 5.853 4.544 1.00 52.50 N ATOM 533 CA GLY A 202 31.921 5.851 3.285 1.00 74.45 C ATOM 534 C GLY A 202 33.090 6.816 3.283 1.00 74.22 C ATOM 535 O GLY A 202 33.646 7.128 4.336 1.00 64.13 O ATOM 0 H GLY A 202 30.254 6.231 4.496 1.00 52.50 H new ATOM 0 HA2 GLY A 202 32.285 4.844 3.080 1.00 74.45 H new ATOM 0 HA3 GLY A 202 31.237 6.113 2.478 1.00 74.45 H new ATOM 539 N ARG A 203 33.463 7.288 2.098 1.00 1.15 N ATOM 540 CA ARG A 203 34.576 8.221 1.963 1.00 20.44 C ATOM 541 C ARG A 203 34.112 9.533 1.338 1.00 11.14 C ATOM 542 O ARG A 203 34.919 10.305 0.820 1.00 44.04 O ATOM 543 CB ARG A 203 35.687 7.602 1.112 1.00 14.21 C ATOM 544 CG ARG A 203 37.085 8.020 1.539 1.00 52.24 C ATOM 545 CD ARG A 203 38.114 6.958 1.190 1.00 25.33 C ATOM 546 NE ARG A 203 39.012 7.394 0.124 1.00 23.32 N ATOM 547 CZ ARG A 203 40.043 6.676 -0.309 1.00 1.34 C ATOM 548 NH1 ARG A 203 40.305 5.493 0.231 1.00 54.51 N ATOM 549 NH2 ARG A 203 40.814 7.142 -1.283 1.00 22.33 N ATOM 0 H ARG A 203 33.011 7.040 1.218 1.00 1.15 H new ATOM 0 HA ARG A 203 34.965 8.431 2.959 1.00 20.44 H new ATOM 0 HB2 ARG A 203 35.610 6.516 1.163 1.00 14.21 H new ATOM 0 HB3 ARG A 203 35.535 7.884 0.070 1.00 14.21 H new ATOM 0 HG2 ARG A 203 37.350 8.959 1.052 1.00 52.24 H new ATOM 0 HG3 ARG A 203 37.099 8.203 2.613 1.00 52.24 H new ATOM 0 HD2 ARG A 203 38.697 6.713 2.078 1.00 25.33 H new ATOM 0 HD3 ARG A 203 37.603 6.046 0.883 1.00 25.33 H new ATOM 0 HE ARG A 203 38.838 8.300 -0.312 1.00 23.32 H new ATOM 0 HH11 ARG A 203 39.714 5.132 0.980 1.00 54.51 H new ATOM 0 HH12 ARG A 203 41.097 4.944 -0.103 1.00 54.51 H new ATOM 0 HH21 ARG A 203 40.615 8.052 -1.700 1.00 22.33 H new ATOM 0 HH22 ARG A 203 41.605 6.591 -1.615 1.00 22.33 H new ATOM 563 N HIS A 204 32.807 9.780 1.392 1.00 70.11 N ATOM 564 CA HIS A 204 32.236 10.998 0.831 1.00 11.51 C ATOM 565 C HIS A 204 32.057 12.061 1.910 1.00 1.45 C ATOM 566 O HIS A 204 30.998 12.681 2.016 1.00 63.10 O ATOM 567 CB HIS A 204 30.892 10.698 0.167 1.00 52.13 C ATOM 568 CG HIS A 204 30.951 9.580 -0.828 1.00 24.02 C ATOM 569 ND1 HIS A 204 31.452 9.733 -2.104 1.00 14.13 N ATOM 570 CD2 HIS A 204 30.572 8.284 -0.727 1.00 11.33 C ATOM 571 CE1 HIS A 204 31.375 8.581 -2.745 1.00 41.34 C ATOM 572 NE2 HIS A 204 30.846 7.685 -1.932 1.00 15.21 N ATOM 0 H HIS A 204 32.125 9.152 1.819 1.00 70.11 H new ATOM 0 HA HIS A 204 32.927 11.381 0.079 1.00 11.51 H new ATOM 0 HB2 HIS A 204 30.163 10.449 0.938 1.00 52.13 H new ATOM 0 HB3 HIS A 204 30.534 11.599 -0.332 1.00 52.13 H new ATOM 0 HD1 HIS A 204 31.824 10.600 -2.492 1.00 14.13 H new ATOM 0 HD2 HIS A 204 30.136 7.810 0.140 1.00 11.33 H new ATOM 0 HE1 HIS A 204 31.691 8.402 -3.762 1.00 41.34 H new ATOM 579 N ARG A 205 33.098 12.267 2.710 1.00 20.02 N ATOM 580 CA ARG A 205 33.055 13.254 3.783 1.00 40.14 C ATOM 581 C ARG A 205 33.625 14.590 3.315 1.00 53.41 C ATOM 582 O ARG A 205 32.995 15.635 3.476 1.00 34.20 O ATOM 583 CB ARG A 205 33.836 12.751 4.997 1.00 1.25 C ATOM 584 CG ARG A 205 33.566 11.294 5.336 1.00 2.13 C ATOM 585 CD ARG A 205 34.773 10.420 5.034 1.00 62.23 C ATOM 586 NE ARG A 205 34.773 9.195 5.829 1.00 4.14 N ATOM 587 CZ ARG A 205 35.839 8.415 5.978 1.00 13.00 C ATOM 588 NH1 ARG A 205 36.984 8.732 5.388 1.00 15.21 N ATOM 589 NH2 ARG A 205 35.762 7.317 6.718 1.00 73.43 N ATOM 0 H ARG A 205 33.982 11.764 2.636 1.00 20.02 H new ATOM 0 HA ARG A 205 32.013 13.403 4.066 1.00 40.14 H new ATOM 0 HB2 ARG A 205 34.902 12.880 4.811 1.00 1.25 H new ATOM 0 HB3 ARG A 205 33.586 13.368 5.860 1.00 1.25 H new ATOM 0 HG2 ARG A 205 33.307 11.207 6.391 1.00 2.13 H new ATOM 0 HG3 ARG A 205 32.707 10.940 4.766 1.00 2.13 H new ATOM 0 HD2 ARG A 205 34.780 10.165 3.974 1.00 62.23 H new ATOM 0 HD3 ARG A 205 35.686 10.981 5.233 1.00 62.23 H new ATOM 0 HE ARG A 205 33.908 8.923 6.295 1.00 4.14 H new ATOM 0 HH11 ARG A 205 37.048 9.576 4.819 1.00 15.21 H new ATOM 0 HH12 ARG A 205 37.801 8.132 5.504 1.00 15.21 H new ATOM 0 HH21 ARG A 205 34.884 7.070 7.174 1.00 73.43 H new ATOM 0 HH22 ARG A 205 36.581 6.720 6.831 1.00 73.43 H new ATOM 603 N ASP A 206 34.820 14.548 2.736 1.00 1.30 N ATOM 604 CA ASP A 206 35.474 15.755 2.245 1.00 65.20 C ATOM 605 C ASP A 206 35.056 16.054 0.809 1.00 11.23 C ATOM 606 O ASP A 206 35.597 16.955 0.168 1.00 1.04 O ATOM 607 CB ASP A 206 36.995 15.605 2.325 1.00 12.24 C ATOM 608 CG ASP A 206 37.590 16.360 3.498 1.00 74.22 C ATOM 609 OD1 ASP A 206 37.053 16.236 4.618 1.00 35.33 O ATOM 610 OD2 ASP A 206 38.594 17.074 3.294 1.00 13.05 O ATOM 0 H ASP A 206 35.355 13.691 2.595 1.00 1.30 H new ATOM 0 HA ASP A 206 35.164 16.588 2.876 1.00 65.20 H new ATOM 0 HB2 ASP A 206 37.249 14.548 2.410 1.00 12.24 H new ATOM 0 HB3 ASP A 206 37.442 15.967 1.399 1.00 12.24 H new ATOM 615 N HIS A 207 34.089 15.291 0.309 1.00 53.31 N ATOM 616 CA HIS A 207 33.596 15.475 -1.051 1.00 72.33 C ATOM 617 C HIS A 207 32.615 16.641 -1.122 1.00 60.12 C ATOM 618 O HIS A 207 32.382 17.329 -0.128 1.00 65.31 O ATOM 619 CB HIS A 207 32.923 14.196 -1.550 1.00 25.22 C ATOM 620 CG HIS A 207 33.880 13.066 -1.777 1.00 71.33 C ATOM 621 ND1 HIS A 207 33.519 11.888 -2.398 1.00 43.43 N ATOM 622 CD2 HIS A 207 35.191 12.938 -1.466 1.00 14.44 C ATOM 623 CE1 HIS A 207 34.566 11.085 -2.456 1.00 42.20 C ATOM 624 NE2 HIS A 207 35.594 11.699 -1.897 1.00 12.14 N ATOM 0 H HIS A 207 33.632 14.540 0.825 1.00 53.31 H new ATOM 0 HA HIS A 207 34.448 15.702 -1.691 1.00 72.33 H new ATOM 0 HB2 HIS A 207 32.171 13.884 -0.825 1.00 25.22 H new ATOM 0 HB3 HIS A 207 32.399 14.410 -2.481 1.00 25.22 H new ATOM 0 HD2 HIS A 207 35.806 13.675 -0.970 1.00 14.44 H new ATOM 0 HE1 HIS A 207 34.580 10.095 -2.887 1.00 42.20 H new ATOM 0 HE2 HIS A 207 36.534 11.315 -1.801 1.00 12.14 H new ATOM 631 N GLN A 208 32.043 16.856 -2.302 1.00 34.42 N ATOM 632 CA GLN A 208 31.087 17.939 -2.501 1.00 2.14 C ATOM 633 C GLN A 208 29.718 17.392 -2.890 1.00 14.30 C ATOM 634 O GLN A 208 29.616 16.377 -3.579 1.00 32.41 O ATOM 635 CB GLN A 208 31.590 18.900 -3.578 1.00 43.44 C ATOM 636 CG GLN A 208 32.473 20.014 -3.037 1.00 73.24 C ATOM 637 CD GLN A 208 33.891 19.945 -3.568 1.00 50.23 C ATOM 638 OE1 GLN A 208 34.115 19.986 -4.779 1.00 2.42 O ATOM 639 NE2 GLN A 208 34.858 19.839 -2.664 1.00 54.44 N ATOM 0 H GLN A 208 32.225 16.295 -3.134 1.00 34.42 H new ATOM 0 HA GLN A 208 30.988 18.480 -1.560 1.00 2.14 H new ATOM 0 HB2 GLN A 208 32.149 18.335 -4.325 1.00 43.44 H new ATOM 0 HB3 GLN A 208 30.734 19.342 -4.087 1.00 43.44 H new ATOM 0 HG2 GLN A 208 32.037 20.978 -3.300 1.00 73.24 H new ATOM 0 HG3 GLN A 208 32.494 19.960 -1.949 1.00 73.24 H new ATOM 0 HE21 GLN A 208 34.627 19.809 -1.671 1.00 54.44 H new ATOM 0 HE22 GLN A 208 35.832 19.788 -2.963 1.00 54.44 H new ATOM 648 N VAL A 209 28.666 18.072 -2.445 1.00 10.35 N ATOM 649 CA VAL A 209 27.302 17.655 -2.748 1.00 12.25 C ATOM 650 C VAL A 209 26.437 18.847 -3.143 1.00 1.44 C ATOM 651 O VAL A 209 26.930 19.967 -3.275 1.00 14.34 O ATOM 652 CB VAL A 209 26.653 16.942 -1.546 1.00 62.01 C ATOM 653 CG1 VAL A 209 27.505 15.761 -1.103 1.00 50.23 C ATOM 654 CG2 VAL A 209 26.442 17.918 -0.397 1.00 64.55 C ATOM 0 H VAL A 209 28.732 18.914 -1.873 1.00 10.35 H new ATOM 0 HA VAL A 209 27.363 16.960 -3.585 1.00 12.25 H new ATOM 0 HB VAL A 209 25.679 16.563 -1.853 1.00 62.01 H new ATOM 0 HG11 VAL A 209 27.032 15.269 -0.253 1.00 50.23 H new ATOM 0 HG12 VAL A 209 27.600 15.052 -1.926 1.00 50.23 H new ATOM 0 HG13 VAL A 209 28.494 16.115 -0.813 1.00 50.23 H new ATOM 0 HG21 VAL A 209 25.983 17.397 0.443 1.00 64.55 H new ATOM 0 HG22 VAL A 209 27.403 18.329 -0.088 1.00 64.55 H new ATOM 0 HG23 VAL A 209 25.789 18.728 -0.723 1.00 64.55 H new ATOM 664 N ALA A 210 25.146 18.598 -3.331 1.00 14.34 N ATOM 665 CA ALA A 210 24.211 19.652 -3.710 1.00 24.54 C ATOM 666 C ALA A 210 23.269 19.990 -2.558 1.00 63.32 C ATOM 667 O ALA A 210 22.125 19.539 -2.528 1.00 62.33 O ATOM 668 CB ALA A 210 23.418 19.235 -4.939 1.00 50.24 C ATOM 0 H ALA A 210 24.723 17.676 -3.227 1.00 14.34 H new ATOM 0 HA ALA A 210 24.786 20.547 -3.949 1.00 24.54 H new ATOM 0 HB1 ALA A 210 22.724 20.030 -5.211 1.00 50.24 H new ATOM 0 HB2 ALA A 210 24.102 19.050 -5.768 1.00 50.24 H new ATOM 0 HB3 ALA A 210 22.859 18.325 -4.720 1.00 50.24 H new