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 -29:sc= -0.194 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -0.18 K(o=-1.1,f=-2.6) USER MOD Set 1.3: A 207 HIS : no HE2:sc= -0.726 K(o=-1.1,f=-4.6) USER MOD Set 2.1: A 175 CYS SG : rot -120:sc= 0.318 USER MOD Set 2.2: A 178 HIS : no HE2:sc= -4.52! C(o=-3.8!,f=-3.5!) USER MOD Set 2.3: A 195 CYS SG : rot -99:sc= 0.225 USER MOD Set 2.4: A 198 CYS SG : rot 126:sc= 0.174 USER MOD Single : A 174 MET CE :methyl -177:sc= 0 (180deg=-0.0149) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.725 X(o=-0.73,f=-0.71) USER MOD Single : A 185 MET CE :methyl 143:sc= -0.475 (180deg=-2.5!) USER MOD Single : A 186 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.482 5.651 -2.245 1.00 71.23 N ATOM 99 CA MET A 174 17.392 5.308 -1.159 1.00 11.33 C ATOM 100 C MET A 174 18.761 4.912 -1.700 1.00 45.55 C ATOM 101 O MET A 174 18.988 5.028 -2.905 1.00 1.35 O ATOM 102 CB MET A 174 16.813 4.166 -0.322 1.00 13.03 C ATOM 103 CG MET A 174 15.598 4.569 0.499 1.00 61.23 C ATOM 104 SD MET A 174 14.076 3.801 -0.090 1.00 64.21 S ATOM 105 CE MET A 174 13.123 3.733 1.426 1.00 64.13 C ATOM 0 HA MET A 174 17.512 6.189 -0.528 1.00 11.33 H new ATOM 0 HB2 MET A 174 16.538 3.345 -0.984 1.00 13.03 H new ATOM 0 HB3 MET A 174 17.586 3.790 0.348 1.00 13.03 H new ATOM 0 HG2 MET A 174 15.760 4.293 1.541 1.00 61.23 H new ATOM 0 HG3 MET A 174 15.488 5.653 0.470 1.00 61.23 H new ATOM 0 HE1 MET A 174 12.173 3.233 1.237 1.00 64.13 H new ATOM 0 HE2 MET A 174 13.680 3.179 2.182 1.00 64.13 H new ATOM 0 HE3 MET A 174 12.935 4.745 1.783 1.00 64.13 H new ATOM 115 N CYS A 175 19.635 4.461 -0.812 1.00 51.43 N ATOM 116 CA CYS A 175 20.971 4.056 -1.216 1.00 32.14 C ATOM 117 C CYS A 175 20.893 2.632 -1.773 1.00 2.23 C ATOM 118 O CYS A 175 19.944 1.887 -1.528 1.00 74.45 O ATOM 119 CB CYS A 175 21.967 4.163 -0.059 1.00 74.44 C ATOM 120 SG CYS A 175 23.588 4.739 -0.682 1.00 54.34 S ATOM 0 H CYS A 175 19.444 4.367 0.186 1.00 51.43 H new ATOM 0 HA CYS A 175 21.340 4.728 -1.991 1.00 32.14 H new ATOM 0 HB2 CYS A 175 21.590 4.856 0.694 1.00 74.44 H new ATOM 0 HB3 CYS A 175 22.078 3.194 0.427 1.00 74.44 H new ATOM 0 HG CYS A 175 24.496 3.846 -0.421 1.00 54.34 H new ATOM 125 N LEU A 176 21.921 2.271 -2.533 1.00 33.25 N ATOM 126 CA LEU A 176 21.995 0.945 -3.138 1.00 51.44 C ATOM 127 C LEU A 176 22.391 -0.104 -2.105 1.00 14.52 C ATOM 128 O LEU A 176 21.786 -1.174 -2.030 1.00 41.51 O ATOM 129 CB LEU A 176 22.999 0.946 -4.292 1.00 52.54 C ATOM 130 CG LEU A 176 22.483 1.474 -5.631 1.00 63.50 C ATOM 131 CD1 LEU A 176 22.561 2.991 -5.673 1.00 55.24 C ATOM 132 CD2 LEU A 176 23.270 0.865 -6.783 1.00 62.20 C ATOM 0 H LEU A 176 22.714 2.877 -2.745 1.00 33.25 H new ATOM 0 HA LEU A 176 21.007 0.693 -3.523 1.00 51.44 H new ATOM 0 HB2 LEU A 176 23.861 1.544 -3.996 1.00 52.54 H new ATOM 0 HB3 LEU A 176 23.354 -0.074 -4.439 1.00 52.54 H new ATOM 0 HG LEU A 176 21.438 1.182 -5.736 1.00 63.50 H new ATOM 0 HD11 LEU A 176 22.190 3.348 -6.634 1.00 55.24 H new ATOM 0 HD12 LEU A 176 21.953 3.409 -4.871 1.00 55.24 H new ATOM 0 HD13 LEU A 176 23.597 3.306 -5.545 1.00 55.24 H new ATOM 0 HD21 LEU A 176 22.889 1.252 -7.728 1.00 62.20 H new ATOM 0 HD22 LEU A 176 24.323 1.126 -6.682 1.00 62.20 H new ATOM 0 HD23 LEU A 176 23.161 -0.219 -6.765 1.00 62.20 H new ATOM 144 N GLU A 177 23.408 0.211 -1.309 1.00 71.23 N ATOM 145 CA GLU A 177 23.883 -0.706 -0.279 1.00 43.11 C ATOM 146 C GLU A 177 23.057 -0.565 0.997 1.00 71.11 C ATOM 147 O GLU A 177 22.815 -1.544 1.704 1.00 5.03 O ATOM 148 CB GLU A 177 25.360 -0.445 0.025 1.00 30.13 C ATOM 149 CG GLU A 177 25.944 -1.391 1.061 1.00 73.31 C ATOM 150 CD GLU A 177 27.428 -1.629 0.863 1.00 42.22 C ATOM 151 OE1 GLU A 177 28.223 -0.726 1.200 1.00 61.51 O ATOM 152 OE2 GLU A 177 27.795 -2.715 0.371 1.00 71.55 O ATOM 0 H GLU A 177 23.918 1.093 -1.357 1.00 71.23 H new ATOM 0 HA GLU A 177 23.771 -1.723 -0.654 1.00 43.11 H new ATOM 0 HB2 GLU A 177 25.933 -0.532 -0.898 1.00 30.13 H new ATOM 0 HB3 GLU A 177 25.474 0.581 0.376 1.00 30.13 H new ATOM 0 HG2 GLU A 177 25.775 -0.982 2.057 1.00 73.31 H new ATOM 0 HG3 GLU A 177 25.418 -2.344 1.015 1.00 73.31 H new ATOM 159 N HIS A 178 22.627 0.660 1.284 1.00 23.21 N ATOM 160 CA HIS A 178 21.829 0.930 2.475 1.00 3.00 C ATOM 161 C HIS A 178 20.347 1.016 2.128 1.00 51.33 C ATOM 162 O HIS A 178 19.787 2.106 2.022 1.00 42.51 O ATOM 163 CB HIS A 178 22.287 2.230 3.137 1.00 1.42 C ATOM 164 CG HIS A 178 23.767 2.303 3.356 1.00 72.52 C ATOM 165 ND1 HIS A 178 24.637 2.850 2.437 1.00 10.31 N ATOM 166 CD2 HIS A 178 24.529 1.894 4.397 1.00 4.31 C ATOM 167 CE1 HIS A 178 25.871 2.774 2.904 1.00 75.22 C ATOM 168 NE2 HIS A 178 25.833 2.198 4.091 1.00 22.13 N ATOM 0 H HIS A 178 22.818 1.480 0.709 1.00 23.21 H new ATOM 0 HA HIS A 178 21.972 0.105 3.173 1.00 3.00 H new ATOM 0 HB2 HIS A 178 21.978 3.072 2.517 1.00 1.42 H new ATOM 0 HB3 HIS A 178 21.781 2.337 4.096 1.00 1.42 H new ATOM 0 HD1 HIS A 178 24.370 3.251 1.538 1.00 10.31 H new ATOM 0 HD2 HIS A 178 24.177 1.417 5.300 1.00 4.31 H new ATOM 0 HE1 HIS A 178 26.760 3.124 2.400 1.00 75.22 H new ATOM 175 N GLU A 179 19.716 -0.142 1.952 1.00 41.23 N ATOM 176 CA GLU A 179 18.299 -0.195 1.615 1.00 71.23 C ATOM 177 C GLU A 179 17.451 0.409 2.730 1.00 23.34 C ATOM 178 O GLU A 179 16.388 0.977 2.478 1.00 33.13 O ATOM 179 CB GLU A 179 17.868 -1.640 1.357 1.00 73.40 C ATOM 180 CG GLU A 179 18.300 -2.608 2.446 1.00 75.31 C ATOM 181 CD GLU A 179 17.257 -3.672 2.728 1.00 24.20 C ATOM 182 OE1 GLU A 179 16.397 -3.906 1.852 1.00 25.34 O ATOM 183 OE2 GLU A 179 17.300 -4.270 3.823 1.00 32.13 O ATOM 0 H GLU A 179 20.164 -1.054 2.037 1.00 41.23 H new ATOM 0 HA GLU A 179 18.145 0.390 0.708 1.00 71.23 H new ATOM 0 HB2 GLU A 179 16.783 -1.675 1.261 1.00 73.40 H new ATOM 0 HB3 GLU A 179 18.283 -1.969 0.404 1.00 73.40 H new ATOM 0 HG2 GLU A 179 19.233 -3.088 2.151 1.00 75.31 H new ATOM 0 HG3 GLU A 179 18.503 -2.052 3.361 1.00 75.31 H new ATOM 190 N ASP A 180 17.928 0.282 3.963 1.00 24.54 N ATOM 191 CA ASP A 180 17.215 0.814 5.119 1.00 61.35 C ATOM 192 C ASP A 180 17.720 2.209 5.472 1.00 1.35 C ATOM 193 O ASP A 180 17.779 2.579 6.645 1.00 55.05 O ATOM 194 CB ASP A 180 17.375 -0.120 6.318 1.00 23.34 C ATOM 195 CG ASP A 180 16.291 0.081 7.358 1.00 10.14 C ATOM 196 OD1 ASP A 180 15.102 0.118 6.976 1.00 45.51 O ATOM 197 OD2 ASP A 180 16.630 0.202 8.554 1.00 63.44 O ATOM 0 H ASP A 180 18.806 -0.185 4.188 1.00 24.54 H new ATOM 0 HA ASP A 180 16.158 0.884 4.863 1.00 61.35 H new ATOM 0 HB2 ASP A 180 17.357 -1.154 5.974 1.00 23.34 H new ATOM 0 HB3 ASP A 180 18.350 0.046 6.777 1.00 23.34 H new ATOM 202 N GLU A 181 18.085 2.978 4.452 1.00 53.41 N ATOM 203 CA GLU A 181 18.587 4.331 4.657 1.00 0.30 C ATOM 204 C GLU A 181 18.349 5.194 3.420 1.00 63.20 C ATOM 205 O GLU A 181 18.941 4.963 2.366 1.00 55.35 O ATOM 206 CB GLU A 181 20.080 4.301 4.990 1.00 31.51 C ATOM 207 CG GLU A 181 20.442 5.088 6.239 1.00 54.11 C ATOM 208 CD GLU A 181 21.226 6.348 5.927 1.00 31.05 C ATOM 209 OE1 GLU A 181 21.086 6.871 4.803 1.00 43.32 O ATOM 210 OE2 GLU A 181 21.980 6.809 6.810 1.00 12.33 O ATOM 0 H GLU A 181 18.043 2.687 3.475 1.00 53.41 H new ATOM 0 HA GLU A 181 18.044 4.768 5.495 1.00 0.30 H new ATOM 0 HB2 GLU A 181 20.394 3.265 5.120 1.00 31.51 H new ATOM 0 HB3 GLU A 181 20.640 4.700 4.144 1.00 31.51 H new ATOM 0 HG2 GLU A 181 19.530 5.355 6.773 1.00 54.11 H new ATOM 0 HG3 GLU A 181 21.028 4.455 6.906 1.00 54.11 H new ATOM 217 N LYS A 182 17.478 6.187 3.557 1.00 14.24 N ATOM 218 CA LYS A 182 17.159 7.084 2.453 1.00 12.33 C ATOM 219 C LYS A 182 18.319 8.034 2.173 1.00 51.02 C ATOM 220 O LYS A 182 19.015 8.469 3.091 1.00 61.51 O ATOM 221 CB LYS A 182 15.895 7.886 2.769 1.00 41.41 C ATOM 222 CG LYS A 182 14.679 7.020 3.050 1.00 34.11 C ATOM 223 CD LYS A 182 13.569 7.815 3.716 1.00 53.41 C ATOM 224 CE LYS A 182 12.768 8.615 2.700 1.00 23.21 C ATOM 225 NZ LYS A 182 12.222 9.869 3.287 1.00 2.33 N ATOM 0 H LYS A 182 16.979 6.391 4.423 1.00 14.24 H new ATOM 0 HA LYS A 182 16.984 6.478 1.564 1.00 12.33 H new ATOM 0 HB2 LYS A 182 16.085 8.522 3.634 1.00 41.41 H new ATOM 0 HB3 LYS A 182 15.674 8.546 1.930 1.00 41.41 H new ATOM 0 HG2 LYS A 182 14.312 6.593 2.117 1.00 34.11 H new ATOM 0 HG3 LYS A 182 14.965 6.186 3.691 1.00 34.11 H new ATOM 0 HD2 LYS A 182 12.905 7.136 4.251 1.00 53.41 H new ATOM 0 HD3 LYS A 182 13.998 8.491 4.456 1.00 53.41 H new ATOM 0 HE2 LYS A 182 13.403 8.859 1.848 1.00 23.21 H new ATOM 0 HE3 LYS A 182 11.948 8.004 2.322 1.00 23.21 H new ATOM 0 HZ1 LYS A 182 11.683 10.385 2.563 1.00 2.33 H new ATOM 0 HZ2 LYS A 182 11.596 9.635 4.084 1.00 2.33 H new ATOM 0 HZ3 LYS A 182 13.005 10.464 3.625 1.00 2.33 H new ATOM 239 N VAL A 183 18.521 8.354 0.898 1.00 24.05 N ATOM 240 CA VAL A 183 19.594 9.256 0.497 1.00 44.10 C ATOM 241 C VAL A 183 19.554 10.552 1.301 1.00 74.44 C ATOM 242 O VAL A 183 18.599 10.809 2.032 1.00 1.41 O ATOM 243 CB VAL A 183 19.514 9.592 -1.004 1.00 32.24 C ATOM 244 CG1 VAL A 183 19.748 8.346 -1.844 1.00 21.55 C ATOM 245 CG2 VAL A 183 18.170 10.224 -1.336 1.00 70.23 C ATOM 0 H VAL A 183 17.955 8.002 0.126 1.00 24.05 H new ATOM 0 HA VAL A 183 20.532 8.738 0.696 1.00 44.10 H new ATOM 0 HB VAL A 183 20.298 10.312 -1.240 1.00 32.24 H new ATOM 0 HG11 VAL A 183 19.688 8.603 -2.901 1.00 21.55 H new ATOM 0 HG12 VAL A 183 20.736 7.940 -1.625 1.00 21.55 H new ATOM 0 HG13 VAL A 183 18.989 7.600 -1.608 1.00 21.55 H new ATOM 0 HG21 VAL A 183 18.130 10.455 -2.400 1.00 70.23 H new ATOM 0 HG22 VAL A 183 17.369 9.529 -1.085 1.00 70.23 H new ATOM 0 HG23 VAL A 183 18.047 11.141 -0.760 1.00 70.23 H new ATOM 255 N ASN A 184 20.595 11.363 1.158 1.00 63.04 N ATOM 256 CA ASN A 184 20.679 12.633 1.869 1.00 54.14 C ATOM 257 C ASN A 184 21.064 13.764 0.920 1.00 11.44 C ATOM 258 O ASN A 184 20.555 14.879 1.029 1.00 12.31 O ATOM 259 CB ASN A 184 21.696 12.538 3.007 1.00 25.05 C ATOM 260 CG ASN A 184 21.062 12.738 4.369 1.00 0.32 C ATOM 261 OD1 ASN A 184 21.303 13.744 5.038 1.00 41.20 O ATOM 262 ND2 ASN A 184 20.245 11.779 4.788 1.00 31.24 N ATOM 0 H ASN A 184 21.394 11.164 0.556 1.00 63.04 H new ATOM 0 HA ASN A 184 19.696 12.852 2.287 1.00 54.14 H new ATOM 0 HB2 ASN A 184 22.182 11.563 2.975 1.00 25.05 H new ATOM 0 HB3 ASN A 184 22.474 13.287 2.858 1.00 25.05 H new ATOM 0 HD21 ASN A 184 19.789 11.859 5.697 1.00 31.24 H new ATOM 0 HD22 ASN A 184 20.074 10.962 4.201 1.00 31.24 H new ATOM 269 N MET A 185 21.965 13.468 -0.010 1.00 2.41 N ATOM 270 CA MET A 185 22.417 14.460 -0.979 1.00 0.41 C ATOM 271 C MET A 185 23.010 13.785 -2.211 1.00 44.13 C ATOM 272 O MET A 185 22.900 12.570 -2.379 1.00 43.21 O ATOM 273 CB MET A 185 23.453 15.390 -0.343 1.00 60.25 C ATOM 274 CG MET A 185 23.120 16.865 -0.497 1.00 43.25 C ATOM 275 SD MET A 185 22.402 17.574 0.997 1.00 60.23 S ATOM 276 CE MET A 185 20.687 17.730 0.506 1.00 74.32 C ATOM 0 H MET A 185 22.397 12.550 -0.114 1.00 2.41 H new ATOM 0 HA MET A 185 21.554 15.048 -1.290 1.00 0.41 H new ATOM 0 HB2 MET A 185 23.539 15.154 0.718 1.00 60.25 H new ATOM 0 HB3 MET A 185 24.427 15.197 -0.792 1.00 60.25 H new ATOM 0 HG2 MET A 185 24.026 17.413 -0.755 1.00 43.25 H new ATOM 0 HG3 MET A 185 22.423 16.992 -1.326 1.00 43.25 H new ATOM 0 HE1 MET A 185 20.043 17.508 1.357 1.00 74.32 H new ATOM 0 HE2 MET A 185 20.498 18.747 0.163 1.00 74.32 H new ATOM 0 HE3 MET A 185 20.475 17.030 -0.302 1.00 74.32 H new ATOM 286 N TYR A 186 23.640 14.579 -3.070 1.00 12.11 N ATOM 287 CA TYR A 186 24.249 14.059 -4.288 1.00 62.02 C ATOM 288 C TYR A 186 25.698 14.518 -4.412 1.00 41.33 C ATOM 289 O TYR A 186 25.962 15.716 -4.313 1.00 55.34 O ATOM 290 CB TYR A 186 23.453 14.508 -5.514 1.00 53.54 C ATOM 291 CG TYR A 186 24.057 14.062 -6.826 1.00 31.35 C ATOM 292 CD1 TYR A 186 25.035 14.819 -7.457 1.00 1.23 C ATOM 293 CD2 TYR A 186 23.649 12.880 -7.434 1.00 63.42 C ATOM 294 CE1 TYR A 186 25.590 14.415 -8.656 1.00 13.41 C ATOM 295 CE2 TYR A 186 24.200 12.468 -8.632 1.00 75.14 C ATOM 296 CZ TYR A 186 25.168 13.238 -9.239 1.00 40.45 C ATOM 297 OH TYR A 186 25.719 12.831 -10.433 1.00 41.51 O ATOM 0 H TYR A 186 23.742 15.586 -2.945 1.00 12.11 H new ATOM 0 HA TYR A 186 24.235 12.970 -4.234 1.00 62.02 H new ATOM 0 HB2 TYR A 186 22.438 14.118 -5.440 1.00 53.54 H new ATOM 0 HB3 TYR A 186 23.378 15.595 -5.509 1.00 53.54 H new ATOM 0 HD1 TYR A 186 25.368 15.740 -7.002 1.00 1.23 H new ATOM 0 HD2 TYR A 186 22.889 12.274 -6.962 1.00 63.42 H new ATOM 0 HE1 TYR A 186 26.349 15.017 -9.134 1.00 13.41 H new ATOM 0 HE2 TYR A 186 23.873 11.546 -9.091 1.00 75.14 H new ATOM 0 HH TYR A 186 25.314 11.982 -10.708 1.00 41.51 H new ATOM 307 N CYS A 187 26.596 13.568 -4.625 1.00 43.25 N ATOM 308 CA CYS A 187 28.007 13.888 -4.761 1.00 70.51 C ATOM 309 C CYS A 187 28.267 14.304 -6.211 1.00 31.11 C ATOM 310 O CYS A 187 28.226 13.498 -7.139 1.00 60.34 O ATOM 311 CB CYS A 187 28.895 12.717 -4.336 1.00 4.31 C ATOM 312 SG CYS A 187 29.733 13.111 -2.757 1.00 32.32 S ATOM 0 H CYS A 187 26.374 12.576 -4.707 1.00 43.25 H new ATOM 0 HA CYS A 187 28.262 14.713 -4.096 1.00 70.51 H new ATOM 0 HB2 CYS A 187 28.293 11.815 -4.223 1.00 4.31 H new ATOM 0 HB3 CYS A 187 29.635 12.511 -5.109 1.00 4.31 H new ATOM 0 HG CYS A 187 29.906 14.396 -2.666 1.00 32.32 H new ATOM 317 N VAL A 188 28.539 15.594 -6.384 1.00 53.01 N ATOM 318 CA VAL A 188 28.812 16.147 -7.705 1.00 71.35 C ATOM 319 C VAL A 188 30.210 15.767 -8.182 1.00 12.21 C ATOM 320 O VAL A 188 30.409 15.418 -9.346 1.00 15.23 O ATOM 321 CB VAL A 188 28.678 17.681 -7.710 1.00 43.34 C ATOM 322 CG1 VAL A 188 28.781 18.222 -9.129 1.00 31.04 C ATOM 323 CG2 VAL A 188 27.368 18.103 -7.063 1.00 43.23 C ATOM 0 H VAL A 188 28.576 16.275 -5.626 1.00 53.01 H new ATOM 0 HA VAL A 188 28.072 15.724 -8.385 1.00 71.35 H new ATOM 0 HB VAL A 188 29.497 18.102 -7.127 1.00 43.34 H new ATOM 0 HG11 VAL A 188 28.684 19.308 -9.112 1.00 31.04 H new ATOM 0 HG12 VAL A 188 29.748 17.950 -9.553 1.00 31.04 H new ATOM 0 HG13 VAL A 188 27.985 17.796 -9.740 1.00 31.04 H new ATOM 0 HG21 VAL A 188 27.290 19.190 -7.075 1.00 43.23 H new ATOM 0 HG22 VAL A 188 26.534 17.673 -7.617 1.00 43.23 H new ATOM 0 HG23 VAL A 188 27.340 17.749 -6.033 1.00 43.23 H new ATOM 333 N THR A 189 31.178 15.838 -7.274 1.00 10.02 N ATOM 334 CA THR A 189 32.559 15.504 -7.601 1.00 1.45 C ATOM 335 C THR A 189 32.651 14.137 -8.268 1.00 12.10 C ATOM 336 O THR A 189 33.361 13.965 -9.258 1.00 44.54 O ATOM 337 CB THR A 189 33.450 15.511 -6.345 1.00 23.33 C ATOM 338 OG1 THR A 189 34.759 15.030 -6.671 1.00 33.23 O ATOM 339 CG2 THR A 189 32.847 14.649 -5.247 1.00 72.42 C ATOM 0 H THR A 189 31.031 16.124 -6.306 1.00 10.02 H new ATOM 0 HA THR A 189 32.914 16.267 -8.294 1.00 1.45 H new ATOM 0 HB THR A 189 33.519 16.536 -5.982 1.00 23.33 H new ATOM 0 HG1 THR A 189 35.320 15.039 -5.868 1.00 33.23 H new ATOM 0 HG21 THR A 189 33.495 14.670 -4.371 1.00 72.42 H new ATOM 0 HG22 THR A 189 31.863 15.035 -4.980 1.00 72.42 H new ATOM 0 HG23 THR A 189 32.750 13.623 -5.602 1.00 72.42 H new ATOM 347 N ASP A 190 31.926 13.168 -7.720 1.00 62.44 N ATOM 348 CA ASP A 190 31.925 11.814 -8.265 1.00 14.45 C ATOM 349 C ASP A 190 30.718 11.595 -9.173 1.00 3.30 C ATOM 350 O ASP A 190 30.673 10.633 -9.940 1.00 13.11 O ATOM 351 CB ASP A 190 31.919 10.787 -7.133 1.00 24.53 C ATOM 352 CG ASP A 190 32.905 11.130 -6.034 1.00 2.00 C ATOM 353 OD1 ASP A 190 34.125 11.080 -6.296 1.00 4.43 O ATOM 354 OD2 ASP A 190 32.457 11.448 -4.912 1.00 22.33 O ATOM 0 H ASP A 190 31.332 13.294 -6.900 1.00 62.44 H new ATOM 0 HA ASP A 190 32.831 11.686 -8.857 1.00 14.45 H new ATOM 0 HB2 ASP A 190 30.916 10.723 -6.710 1.00 24.53 H new ATOM 0 HB3 ASP A 190 32.158 9.803 -7.538 1.00 24.53 H new ATOM 359 N ASP A 191 29.744 12.493 -9.080 1.00 31.14 N ATOM 360 CA ASP A 191 28.537 12.398 -9.892 1.00 53.15 C ATOM 361 C ASP A 191 27.761 11.126 -9.567 1.00 72.22 C ATOM 362 O ASP A 191 27.490 10.311 -10.449 1.00 55.35 O ATOM 363 CB ASP A 191 28.895 12.426 -11.379 1.00 54.14 C ATOM 364 CG ASP A 191 30.154 13.223 -11.658 1.00 31.32 C ATOM 365 OD1 ASP A 191 30.059 14.462 -11.776 1.00 34.11 O ATOM 366 OD2 ASP A 191 31.236 12.606 -11.756 1.00 43.14 O ATOM 0 H ASP A 191 29.767 13.295 -8.450 1.00 31.14 H new ATOM 0 HA ASP A 191 27.905 13.256 -9.661 1.00 53.15 H new ATOM 0 HB2 ASP A 191 29.028 11.405 -11.737 1.00 54.14 H new ATOM 0 HB3 ASP A 191 28.065 12.855 -11.941 1.00 54.14 H new ATOM 371 N GLN A 192 27.408 10.963 -8.297 1.00 34.43 N ATOM 372 CA GLN A 192 26.664 9.789 -7.856 1.00 21.45 C ATOM 373 C GLN A 192 25.950 10.061 -6.536 1.00 74.31 C ATOM 374 O GLN A 192 26.584 10.375 -5.528 1.00 4.23 O ATOM 375 CB GLN A 192 27.604 8.591 -7.703 1.00 5.33 C ATOM 376 CG GLN A 192 26.923 7.251 -7.923 1.00 41.15 C ATOM 377 CD GLN A 192 27.886 6.084 -7.827 1.00 0.14 C ATOM 378 OE1 GLN A 192 29.076 6.266 -7.569 1.00 61.20 O ATOM 379 NE2 GLN A 192 27.375 4.876 -8.033 1.00 71.32 N ATOM 0 H GLN A 192 27.625 11.629 -7.555 1.00 34.43 H new ATOM 0 HA GLN A 192 25.914 9.560 -8.613 1.00 21.45 H new ATOM 0 HB2 GLN A 192 28.426 8.692 -8.412 1.00 5.33 H new ATOM 0 HB3 GLN A 192 28.040 8.608 -6.704 1.00 5.33 H new ATOM 0 HG2 GLN A 192 26.131 7.125 -7.185 1.00 41.15 H new ATOM 0 HG3 GLN A 192 26.448 7.246 -8.904 1.00 41.15 H new ATOM 0 HE21 GLN A 192 26.383 4.771 -8.244 1.00 71.32 H new ATOM 0 HE22 GLN A 192 27.975 4.053 -7.980 1.00 71.32 H new ATOM 388 N LEU A 193 24.628 9.938 -6.548 1.00 75.51 N ATOM 389 CA LEU A 193 23.826 10.171 -5.353 1.00 21.43 C ATOM 390 C LEU A 193 24.351 9.353 -4.177 1.00 23.40 C ATOM 391 O LEU A 193 24.891 8.261 -4.359 1.00 13.44 O ATOM 392 CB LEU A 193 22.362 9.818 -5.619 1.00 73.21 C ATOM 393 CG LEU A 193 21.331 10.862 -5.190 1.00 14.21 C ATOM 394 CD1 LEU A 193 20.098 10.792 -6.077 1.00 61.13 C ATOM 395 CD2 LEU A 193 20.950 10.667 -3.730 1.00 2.12 C ATOM 0 H LEU A 193 24.088 9.678 -7.373 1.00 75.51 H new ATOM 0 HA LEU A 193 23.898 11.228 -5.099 1.00 21.43 H new ATOM 0 HB2 LEU A 193 22.242 9.635 -6.687 1.00 73.21 H new ATOM 0 HB3 LEU A 193 22.136 8.882 -5.108 1.00 73.21 H new ATOM 0 HG LEU A 193 21.777 11.850 -5.300 1.00 14.21 H new ATOM 0 HD11 LEU A 193 19.376 11.543 -5.756 1.00 61.13 H new ATOM 0 HD12 LEU A 193 20.383 10.982 -7.112 1.00 61.13 H new ATOM 0 HD13 LEU A 193 19.650 9.801 -6.000 1.00 61.13 H new ATOM 0 HD21 LEU A 193 20.215 11.419 -3.442 1.00 2.12 H new ATOM 0 HD22 LEU A 193 20.524 9.673 -3.595 1.00 2.12 H new ATOM 0 HD23 LEU A 193 21.838 10.769 -3.106 1.00 2.12 H new ATOM 407 N ILE A 194 24.189 9.888 -2.971 1.00 54.11 N ATOM 408 CA ILE A 194 24.645 9.206 -1.766 1.00 52.40 C ATOM 409 C ILE A 194 23.705 9.474 -0.594 1.00 61.13 C ATOM 410 O ILE A 194 22.717 10.187 -0.765 1.00 63.54 O ATOM 411 CB ILE A 194 26.070 9.643 -1.377 1.00 75.02 C ATOM 412 CG1 ILE A 194 26.165 11.170 -1.336 1.00 73.41 C ATOM 413 CG2 ILE A 194 27.084 9.069 -2.354 1.00 73.24 C ATOM 414 CD1 ILE A 194 26.628 11.710 -0.002 1.00 64.32 C ATOM 0 H ILE A 194 23.746 10.791 -2.803 1.00 54.11 H new ATOM 0 HA ILE A 194 24.649 8.139 -1.989 1.00 52.40 H new ATOM 0 HB ILE A 194 26.295 9.258 -0.382 1.00 75.02 H new ATOM 0 HG12 ILE A 194 26.853 11.504 -2.113 1.00 73.41 H new ATOM 0 HG13 ILE A 194 25.188 11.593 -1.571 1.00 73.41 H new ATOM 0 HG21 ILE A 194 28.086 9.386 -2.066 1.00 73.24 H new ATOM 0 HG22 ILE A 194 27.029 7.980 -2.338 1.00 73.24 H new ATOM 0 HG23 ILE A 194 26.864 9.428 -3.359 1.00 73.24 H new ATOM 0 HD11 ILE A 194 26.672 12.798 -0.045 1.00 64.32 H new ATOM 0 HD12 ILE A 194 25.928 11.406 0.776 1.00 64.32 H new ATOM 0 HD13 ILE A 194 27.618 11.316 0.226 1.00 64.32 H new ATOM 426 N CYS A 195 24.031 8.906 0.557 1.00 72.21 N ATOM 427 CA CYS A 195 23.211 9.091 1.742 1.00 53.53 C ATOM 428 C CYS A 195 24.110 9.590 2.876 1.00 55.34 C ATOM 429 O CYS A 195 25.299 9.852 2.697 1.00 14.51 O ATOM 430 CB CYS A 195 22.468 7.809 2.124 1.00 61.03 C ATOM 431 SG CYS A 195 23.661 6.537 2.675 1.00 64.21 S ATOM 0 H CYS A 195 24.852 8.317 0.695 1.00 72.21 H new ATOM 0 HA CYS A 195 22.438 9.832 1.539 1.00 53.53 H new ATOM 0 HB2 CYS A 195 21.752 8.017 2.919 1.00 61.03 H new ATOM 0 HB3 CYS A 195 21.899 7.440 1.271 1.00 61.03 H new ATOM 0 HG CYS A 195 23.895 5.710 1.699 1.00 64.21 H new ATOM 436 N ALA A 196 23.509 9.716 4.054 1.00 75.32 N ATOM 437 CA ALA A 196 24.231 10.176 5.234 1.00 35.21 C ATOM 438 C ALA A 196 25.178 9.100 5.753 1.00 65.33 C ATOM 439 O ALA A 196 26.248 9.402 6.283 1.00 52.23 O ATOM 440 CB ALA A 196 23.252 10.589 6.323 1.00 2.33 C ATOM 0 H ALA A 196 22.524 9.506 4.217 1.00 75.32 H new ATOM 0 HA ALA A 196 24.829 11.042 4.949 1.00 35.21 H new ATOM 0 HB1 ALA A 196 23.804 10.930 7.198 1.00 2.33 H new ATOM 0 HB2 ALA A 196 22.619 11.397 5.956 1.00 2.33 H new ATOM 0 HB3 ALA A 196 22.630 9.736 6.596 1.00 2.33 H new ATOM 446 N LEU A 197 24.779 7.842 5.597 1.00 21.01 N ATOM 447 CA LEU A 197 25.593 6.720 6.050 1.00 62.23 C ATOM 448 C LEU A 197 26.836 6.561 5.179 1.00 11.21 C ATOM 449 O LEU A 197 27.808 5.952 5.623 1.00 63.44 O ATOM 450 CB LEU A 197 24.774 5.428 6.028 1.00 11.32 C ATOM 451 CG LEU A 197 24.849 4.565 7.288 1.00 34.32 C ATOM 452 CD1 LEU A 197 23.454 4.158 7.739 1.00 53.43 C ATOM 453 CD2 LEU A 197 25.711 3.335 7.042 1.00 50.30 C ATOM 0 H LEU A 197 23.897 7.574 5.160 1.00 21.01 H new ATOM 0 HA LEU A 197 25.911 6.925 7.072 1.00 62.23 H new ATOM 0 HB2 LEU A 197 23.730 5.686 5.850 1.00 11.32 H new ATOM 0 HB3 LEU A 197 25.103 4.827 5.180 1.00 11.32 H new ATOM 0 HG LEU A 197 25.309 5.154 8.082 1.00 34.32 H new ATOM 0 HD11 LEU A 197 23.526 3.544 8.637 1.00 53.43 H new ATOM 0 HD12 LEU A 197 22.867 5.050 7.956 1.00 53.43 H new ATOM 0 HD13 LEU A 197 22.968 3.587 6.948 1.00 53.43 H new ATOM 0 HD21 LEU A 197 25.753 2.733 7.950 1.00 50.30 H new ATOM 0 HD22 LEU A 197 25.280 2.744 6.234 1.00 50.30 H new ATOM 0 HD23 LEU A 197 26.719 3.646 6.766 1.00 50.30 H new ATOM 465 N CYS A 198 26.780 7.110 3.974 1.00 20.33 N ATOM 466 CA CYS A 198 27.905 7.024 3.060 1.00 64.13 C ATOM 467 C CYS A 198 28.918 8.106 3.442 1.00 62.32 C ATOM 468 O CYS A 198 30.133 7.929 3.346 1.00 74.22 O ATOM 469 CB CYS A 198 27.461 7.149 1.602 1.00 15.01 C ATOM 470 SG CYS A 198 26.924 5.518 0.969 1.00 62.03 S ATOM 0 H CYS A 198 25.973 7.616 3.610 1.00 20.33 H new ATOM 0 HA CYS A 198 28.372 6.043 3.146 1.00 64.13 H new ATOM 0 HB2 CYS A 198 26.644 7.866 1.522 1.00 15.01 H new ATOM 0 HB3 CYS A 198 28.281 7.532 0.995 1.00 15.01 H new ATOM 0 HG CYS A 198 25.727 5.618 0.472 1.00 62.03 H new ATOM 475 N LYS A 199 28.387 9.242 3.882 1.00 20.10 N ATOM 476 CA LYS A 199 29.218 10.369 4.288 1.00 33.12 C ATOM 477 C LYS A 199 29.820 10.131 5.669 1.00 45.24 C ATOM 478 O LYS A 199 30.754 10.822 6.078 1.00 42.20 O ATOM 479 CB LYS A 199 28.396 11.660 4.294 1.00 55.11 C ATOM 480 CG LYS A 199 27.904 12.074 2.918 1.00 63.13 C ATOM 481 CD LYS A 199 27.887 13.585 2.763 1.00 15.44 C ATOM 482 CE LYS A 199 26.567 14.178 3.235 1.00 31.24 C ATOM 483 NZ LYS A 199 26.575 15.666 3.175 1.00 75.33 N ATOM 0 H LYS A 199 27.384 9.406 3.966 1.00 20.10 H new ATOM 0 HA LYS A 199 30.031 10.467 3.568 1.00 33.12 H new ATOM 0 HB2 LYS A 199 27.538 11.532 4.954 1.00 55.11 H new ATOM 0 HB3 LYS A 199 29.002 12.464 4.711 1.00 55.11 H new ATOM 0 HG2 LYS A 199 28.547 11.636 2.154 1.00 63.13 H new ATOM 0 HG3 LYS A 199 26.901 11.679 2.755 1.00 63.13 H new ATOM 0 HD2 LYS A 199 28.707 14.020 3.334 1.00 15.44 H new ATOM 0 HD3 LYS A 199 28.052 13.847 1.718 1.00 15.44 H new ATOM 0 HE2 LYS A 199 25.755 13.794 2.618 1.00 31.24 H new ATOM 0 HE3 LYS A 199 26.369 13.857 4.258 1.00 31.24 H new ATOM 0 HZ1 LYS A 199 25.659 16.032 3.504 1.00 75.33 H new ATOM 0 HZ2 LYS A 199 27.334 16.034 3.784 1.00 75.33 H new ATOM 0 HZ3 LYS A 199 26.738 15.973 2.195 1.00 75.33 H new ATOM 497 N LEU A 200 29.281 9.150 6.383 1.00 31.14 N ATOM 498 CA LEU A 200 29.768 8.818 7.719 1.00 55.54 C ATOM 499 C LEU A 200 30.589 7.534 7.696 1.00 1.21 C ATOM 500 O LEU A 200 31.660 7.459 8.299 1.00 65.42 O ATOM 501 CB LEU A 200 28.594 8.670 8.688 1.00 54.11 C ATOM 502 CG LEU A 200 28.708 9.440 10.003 1.00 4.14 C ATOM 503 CD1 LEU A 200 28.566 10.935 9.761 1.00 63.54 C ATOM 504 CD2 LEU A 200 27.661 8.958 10.997 1.00 71.04 C ATOM 0 H LEU A 200 28.507 8.570 6.060 1.00 31.14 H new ATOM 0 HA LEU A 200 30.410 9.631 8.058 1.00 55.54 H new ATOM 0 HB2 LEU A 200 27.686 8.993 8.179 1.00 54.11 H new ATOM 0 HB3 LEU A 200 28.471 7.612 8.919 1.00 54.11 H new ATOM 0 HG LEU A 200 29.695 9.253 10.426 1.00 4.14 H new ATOM 0 HD11 LEU A 200 28.650 11.467 10.709 1.00 63.54 H new ATOM 0 HD12 LEU A 200 29.353 11.271 9.086 1.00 63.54 H new ATOM 0 HD13 LEU A 200 27.593 11.141 9.315 1.00 63.54 H new ATOM 0 HD21 LEU A 200 27.758 9.518 11.927 1.00 71.04 H new ATOM 0 HD22 LEU A 200 26.666 9.114 10.581 1.00 71.04 H new ATOM 0 HD23 LEU A 200 27.809 7.896 11.195 1.00 71.04 H new ATOM 516 N VAL A 201 30.082 6.525 6.994 1.00 13.44 N ATOM 517 CA VAL A 201 30.771 5.244 6.890 1.00 72.12 C ATOM 518 C VAL A 201 31.720 5.227 5.696 1.00 31.11 C ATOM 519 O VAL A 201 32.847 4.744 5.794 1.00 43.34 O ATOM 520 CB VAL A 201 29.772 4.080 6.754 1.00 63.43 C ATOM 521 CG1 VAL A 201 30.504 2.747 6.743 1.00 21.24 C ATOM 522 CG2 VAL A 201 28.746 4.124 7.876 1.00 1.33 C ATOM 0 H VAL A 201 29.197 6.570 6.489 1.00 13.44 H new ATOM 0 HA VAL A 201 31.344 5.116 7.808 1.00 72.12 H new ATOM 0 HB VAL A 201 29.245 4.186 5.806 1.00 63.43 H new ATOM 0 HG11 VAL A 201 29.782 1.936 6.646 1.00 21.24 H new ATOM 0 HG12 VAL A 201 31.196 2.719 5.901 1.00 21.24 H new ATOM 0 HG13 VAL A 201 31.059 2.629 7.673 1.00 21.24 H new ATOM 0 HG21 VAL A 201 28.048 3.294 7.764 1.00 1.33 H new ATOM 0 HG22 VAL A 201 29.254 4.043 8.837 1.00 1.33 H new ATOM 0 HG23 VAL A 201 28.199 5.066 7.832 1.00 1.33 H new ATOM 532 N GLY A 202 31.255 5.758 4.569 1.00 34.01 N ATOM 533 CA GLY A 202 32.075 5.793 3.372 1.00 12.45 C ATOM 534 C GLY A 202 33.143 6.867 3.433 1.00 24.01 C ATOM 535 O GLY A 202 33.737 7.101 4.486 1.00 44.10 O ATOM 0 H GLY A 202 30.325 6.164 4.464 1.00 34.01 H new ATOM 0 HA2 GLY A 202 32.549 4.821 3.231 1.00 12.45 H new ATOM 0 HA3 GLY A 202 31.439 5.966 2.504 1.00 12.45 H new ATOM 539 N ARG A 203 33.390 7.519 2.302 1.00 13.44 N ATOM 540 CA ARG A 203 34.397 8.571 2.231 1.00 54.14 C ATOM 541 C ARG A 203 33.845 9.803 1.520 1.00 4.42 C ATOM 542 O ARG A 203 34.601 10.609 0.976 1.00 4.31 O ATOM 543 CB ARG A 203 35.643 8.064 1.502 1.00 10.24 C ATOM 544 CG ARG A 203 36.385 6.972 2.255 1.00 65.31 C ATOM 545 CD ARG A 203 37.174 6.080 1.307 1.00 2.44 C ATOM 546 NE ARG A 203 38.302 6.786 0.703 1.00 54.22 N ATOM 547 CZ ARG A 203 38.978 6.329 -0.344 1.00 61.41 C ATOM 548 NH1 ARG A 203 38.644 5.173 -0.900 1.00 61.41 N ATOM 549 NH2 ARG A 203 39.992 7.029 -0.837 1.00 73.25 N ATOM 0 H ARG A 203 32.907 7.337 1.422 1.00 13.44 H new ATOM 0 HA ARG A 203 34.668 8.851 3.249 1.00 54.14 H new ATOM 0 HB2 ARG A 203 35.352 7.685 0.522 1.00 10.24 H new ATOM 0 HB3 ARG A 203 36.320 8.901 1.332 1.00 10.24 H new ATOM 0 HG2 ARG A 203 37.062 7.424 2.980 1.00 65.31 H new ATOM 0 HG3 ARG A 203 35.673 6.368 2.817 1.00 65.31 H new ATOM 0 HD2 ARG A 203 37.540 5.209 1.850 1.00 2.44 H new ATOM 0 HD3 ARG A 203 36.514 5.712 0.522 1.00 2.44 H new ATOM 0 HE ARG A 203 38.585 7.678 1.108 1.00 54.22 H new ATOM 0 HH11 ARG A 203 37.866 4.632 -0.523 1.00 61.41 H new ATOM 0 HH12 ARG A 203 39.165 4.824 -1.704 1.00 61.41 H new ATOM 0 HH21 ARG A 203 40.252 7.919 -0.411 1.00 73.25 H new ATOM 0 HH22 ARG A 203 40.511 6.677 -1.642 1.00 73.25 H new ATOM 563 N HIS A 204 32.524 9.943 1.528 1.00 11.42 N ATOM 564 CA HIS A 204 31.871 11.078 0.884 1.00 64.41 C ATOM 565 C HIS A 204 31.607 12.195 1.888 1.00 51.31 C ATOM 566 O HIS A 204 30.571 12.859 1.834 1.00 2.20 O ATOM 567 CB HIS A 204 30.558 10.637 0.236 1.00 50.34 C ATOM 568 CG HIS A 204 30.709 9.468 -0.689 1.00 14.45 C ATOM 569 ND1 HIS A 204 31.110 9.595 -2.002 1.00 64.03 N ATOM 570 CD2 HIS A 204 30.511 8.145 -0.484 1.00 11.13 C ATOM 571 CE1 HIS A 204 31.151 8.401 -2.565 1.00 52.13 C ATOM 572 NE2 HIS A 204 30.793 7.503 -1.664 1.00 52.12 N ATOM 0 H HIS A 204 31.884 9.285 1.973 1.00 11.42 H new ATOM 0 HA HIS A 204 32.539 11.459 0.111 1.00 64.41 H new ATOM 0 HB2 HIS A 204 29.844 10.380 1.019 1.00 50.34 H new ATOM 0 HB3 HIS A 204 30.136 11.476 -0.318 1.00 50.34 H new ATOM 0 HD2 HIS A 204 30.191 7.681 0.437 1.00 11.13 H new ATOM 0 HE1 HIS A 204 31.430 8.194 -3.588 1.00 52.13 H new ATOM 0 HE2 HIS A 204 30.736 6.497 -1.820 1.00 52.12 H new ATOM 579 N ARG A 205 32.549 12.397 2.804 1.00 72.31 N ATOM 580 CA ARG A 205 32.417 13.431 3.821 1.00 1.33 C ATOM 581 C ARG A 205 33.099 14.721 3.376 1.00 3.22 C ATOM 582 O ARG A 205 32.568 15.815 3.570 1.00 44.34 O ATOM 583 CB ARG A 205 33.017 12.954 5.146 1.00 55.52 C ATOM 584 CG ARG A 205 32.594 13.792 6.342 1.00 75.24 C ATOM 585 CD ARG A 205 33.789 14.181 7.199 1.00 12.01 C ATOM 586 NE ARG A 205 33.380 14.769 8.472 1.00 41.34 N ATOM 587 CZ ARG A 205 32.953 14.056 9.508 1.00 65.42 C ATOM 588 NH1 ARG A 205 32.881 12.735 9.422 1.00 73.50 N ATOM 589 NH2 ARG A 205 32.600 14.663 10.633 1.00 2.51 N ATOM 0 H ARG A 205 33.412 11.857 2.862 1.00 72.31 H new ATOM 0 HA ARG A 205 31.355 13.632 3.963 1.00 1.33 H new ATOM 0 HB2 ARG A 205 32.723 11.918 5.316 1.00 55.52 H new ATOM 0 HB3 ARG A 205 34.104 12.968 5.069 1.00 55.52 H new ATOM 0 HG2 ARG A 205 32.085 14.691 5.996 1.00 75.24 H new ATOM 0 HG3 ARG A 205 31.879 13.233 6.945 1.00 75.24 H new ATOM 0 HD2 ARG A 205 34.403 13.300 7.387 1.00 12.01 H new ATOM 0 HD3 ARG A 205 34.410 14.892 6.654 1.00 12.01 H new ATOM 0 HE ARG A 205 33.425 15.783 8.571 1.00 41.34 H new ATOM 0 HH11 ARG A 205 33.154 12.264 8.559 1.00 73.50 H new ATOM 0 HH12 ARG A 205 32.553 12.189 10.219 1.00 73.50 H new ATOM 0 HH21 ARG A 205 32.656 15.679 10.704 1.00 2.51 H new ATOM 0 HH22 ARG A 205 32.272 14.114 11.428 1.00 2.51 H new ATOM 603 N ASP A 206 34.279 14.586 2.782 1.00 62.32 N ATOM 604 CA ASP A 206 35.035 15.739 2.310 1.00 44.33 C ATOM 605 C ASP A 206 34.768 15.996 0.829 1.00 12.00 C ATOM 606 O ASP A 206 35.410 16.842 0.208 1.00 1.44 O ATOM 607 CB ASP A 206 36.532 15.525 2.540 1.00 13.21 C ATOM 608 CG ASP A 206 37.115 14.473 1.617 1.00 35.41 C ATOM 609 OD1 ASP A 206 36.398 13.501 1.299 1.00 23.35 O ATOM 610 OD2 ASP A 206 38.287 14.621 1.214 1.00 64.12 O ATOM 0 H ASP A 206 34.733 13.688 2.616 1.00 62.32 H new ATOM 0 HA ASP A 206 34.709 16.611 2.877 1.00 44.33 H new ATOM 0 HB2 ASP A 206 37.058 16.468 2.390 1.00 13.21 H new ATOM 0 HB3 ASP A 206 36.699 15.228 3.576 1.00 13.21 H new ATOM 615 N HIS A 207 33.815 15.256 0.269 1.00 1.31 N ATOM 616 CA HIS A 207 33.462 15.404 -1.138 1.00 74.20 C ATOM 617 C HIS A 207 32.551 16.610 -1.347 1.00 32.10 C ATOM 618 O HIS A 207 32.167 17.281 -0.389 1.00 53.42 O ATOM 619 CB HIS A 207 32.775 14.137 -1.649 1.00 14.34 C ATOM 620 CG HIS A 207 33.702 12.970 -1.794 1.00 32.30 C ATOM 621 ND1 HIS A 207 33.291 11.733 -2.247 1.00 10.44 N ATOM 622 CD2 HIS A 207 35.027 12.856 -1.546 1.00 21.41 C ATOM 623 CE1 HIS A 207 34.322 10.910 -2.268 1.00 63.05 C ATOM 624 NE2 HIS A 207 35.389 11.566 -1.847 1.00 54.04 N ATOM 0 H HIS A 207 33.275 14.549 0.768 1.00 1.31 H new ATOM 0 HA HIS A 207 34.381 15.564 -1.702 1.00 74.20 H new ATOM 0 HB2 HIS A 207 31.970 13.869 -0.964 1.00 14.34 H new ATOM 0 HB3 HIS A 207 32.315 14.347 -2.615 1.00 14.34 H new ATOM 0 HD1 HIS A 207 32.339 11.492 -2.523 1.00 10.44 H new ATOM 0 HD2 HIS A 207 35.679 13.635 -1.179 1.00 21.41 H new ATOM 0 HE1 HIS A 207 34.298 9.875 -2.577 1.00 63.05 H new ATOM 631 N GLN A 208 32.211 16.878 -2.603 1.00 54.23 N ATOM 632 CA GLN A 208 31.346 18.004 -2.936 1.00 45.44 C ATOM 633 C GLN A 208 29.899 17.550 -3.099 1.00 44.50 C ATOM 634 O GLN A 208 29.633 16.457 -3.597 1.00 21.51 O ATOM 635 CB GLN A 208 31.828 18.683 -4.221 1.00 31.24 C ATOM 636 CG GLN A 208 32.820 19.808 -3.979 1.00 4.30 C ATOM 637 CD GLN A 208 34.185 19.522 -4.574 1.00 32.24 C ATOM 638 OE1 GLN A 208 34.893 18.620 -4.124 1.00 50.42 O ATOM 639 NE2 GLN A 208 34.561 20.289 -5.590 1.00 34.21 N ATOM 0 H GLN A 208 32.521 16.332 -3.407 1.00 54.23 H new ATOM 0 HA GLN A 208 31.393 18.720 -2.115 1.00 45.44 H new ATOM 0 HB2 GLN A 208 32.290 17.935 -4.866 1.00 31.24 H new ATOM 0 HB3 GLN A 208 30.966 19.079 -4.758 1.00 31.24 H new ATOM 0 HG2 GLN A 208 32.428 20.731 -4.406 1.00 4.30 H new ATOM 0 HG3 GLN A 208 32.923 19.972 -2.906 1.00 4.30 H new ATOM 0 HE21 GLN A 208 33.942 21.025 -5.930 1.00 34.21 H new ATOM 0 HE22 GLN A 208 35.469 20.143 -6.031 1.00 34.21 H new ATOM 648 N VAL A 209 28.968 18.397 -2.675 1.00 14.34 N ATOM 649 CA VAL A 209 27.547 18.083 -2.774 1.00 2.45 C ATOM 650 C VAL A 209 26.714 19.350 -2.933 1.00 41.53 C ATOM 651 O VAL A 209 27.254 20.452 -3.040 1.00 31.44 O ATOM 652 CB VAL A 209 27.054 17.313 -1.534 1.00 63.43 C ATOM 653 CG1 VAL A 209 27.792 15.989 -1.401 1.00 42.41 C ATOM 654 CG2 VAL A 209 27.226 18.157 -0.280 1.00 34.40 C ATOM 0 H VAL A 209 29.171 19.306 -2.260 1.00 14.34 H new ATOM 0 HA VAL A 209 27.423 17.455 -3.657 1.00 2.45 H new ATOM 0 HB VAL A 209 25.992 17.100 -1.658 1.00 63.43 H new ATOM 0 HG11 VAL A 209 27.431 15.458 -0.520 1.00 42.41 H new ATOM 0 HG12 VAL A 209 27.613 15.382 -2.289 1.00 42.41 H new ATOM 0 HG13 VAL A 209 28.861 16.177 -1.299 1.00 42.41 H new ATOM 0 HG21 VAL A 209 26.873 17.598 0.586 1.00 34.40 H new ATOM 0 HG22 VAL A 209 28.280 18.402 -0.148 1.00 34.40 H new ATOM 0 HG23 VAL A 209 26.649 19.076 -0.378 1.00 34.40 H new ATOM 664 N ALA A 210 25.395 19.187 -2.950 1.00 71.34 N ATOM 665 CA ALA A 210 24.487 20.317 -3.096 1.00 13.40 C ATOM 666 C ALA A 210 23.323 20.216 -2.115 1.00 43.50 C ATOM 667 O ALA A 210 22.550 19.260 -2.151 1.00 44.20 O ATOM 668 CB ALA A 210 23.970 20.399 -4.524 1.00 51.24 C ATOM 0 H ALA A 210 24.932 18.282 -2.864 1.00 71.34 H new ATOM 0 HA ALA A 210 25.041 21.228 -2.870 1.00 13.40 H new ATOM 0 HB1 ALA A 210 23.293 21.248 -4.618 1.00 51.24 H new ATOM 0 HB2 ALA A 210 24.809 20.527 -5.208 1.00 51.24 H new ATOM 0 HB3 ALA A 210 23.437 19.481 -4.771 1.00 51.24 H new