USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 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 -30:sc= -0.31 USER MOD Set 1.2: A 204 HIS : no HE2:sc= -1.92! C(o=-2.1!,f=-5.6!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 0.117 K(o=-2.1,f=-5.4) USER MOD Set 2.1: A 175 CYS SG : rot -137:sc= 0.176 USER MOD Set 2.2: A 178 HIS : no HD1:sc=-0.00643 X(o=0.73,f=0.7) USER MOD Set 2.3: A 195 CYS SG : rot -46:sc= 0.171 USER MOD Set 2.4: A 198 CYS SG : rot 128:sc= 0.39 USER MOD Single : A 174 MET CE :methyl -135:sc= -2.27! (180deg=-2.72) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.0058) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 110:sc= -2.43 USER MOD Single : A 189 THR OG1 : rot 160:sc= 0.101 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.0015) 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 16.340 5.939 -1.692 1.00 23.42 N ATOM 99 CA MET A 174 17.327 5.464 -0.728 1.00 71.25 C ATOM 100 C MET A 174 18.686 5.270 -1.393 1.00 61.01 C ATOM 101 O MET A 174 18.862 5.690 -2.536 1.00 22.32 O ATOM 102 CB MET A 174 16.863 4.150 -0.097 1.00 1.04 C ATOM 103 CG MET A 174 15.445 4.205 0.449 1.00 4.32 C ATOM 104 SD MET A 174 14.337 3.049 -0.379 1.00 12.32 S ATOM 105 CE MET A 174 15.092 1.485 0.057 1.00 62.21 C ATOM 0 HA MET A 174 17.428 6.218 0.053 1.00 71.25 H new ATOM 0 HB2 MET A 174 16.926 3.357 -0.842 1.00 1.04 H new ATOM 0 HB3 MET A 174 17.545 3.884 0.711 1.00 1.04 H new ATOM 0 HG2 MET A 174 15.462 3.985 1.516 1.00 4.32 H new ATOM 0 HG3 MET A 174 15.056 5.217 0.339 1.00 4.32 H new ATOM 0 HE1 MET A 174 15.144 0.848 -0.826 1.00 62.21 H new ATOM 0 HE2 MET A 174 16.098 1.660 0.438 1.00 62.21 H new ATOM 0 HE3 MET A 174 14.494 0.994 0.825 1.00 62.21 H new ATOM 115 N CYS A 175 19.607 4.646 -0.673 1.00 14.24 N ATOM 116 CA CYS A 175 20.937 4.406 -1.204 1.00 43.32 C ATOM 117 C CYS A 175 20.896 3.127 -2.042 1.00 64.13 C ATOM 118 O CYS A 175 19.993 2.297 -1.925 1.00 4.42 O ATOM 119 CB CYS A 175 21.985 4.327 -0.092 1.00 70.40 C ATOM 120 SG CYS A 175 23.503 5.215 -0.597 1.00 50.12 S ATOM 0 H CYS A 175 19.457 4.299 0.275 1.00 14.24 H new ATOM 0 HA CYS A 175 21.236 5.243 -1.835 1.00 43.32 H new ATOM 0 HB2 CYS A 175 21.588 4.762 0.825 1.00 70.40 H new ATOM 0 HB3 CYS A 175 22.219 3.285 0.125 1.00 70.40 H new ATOM 0 HG CYS A 175 24.546 4.514 -0.265 1.00 50.12 H new ATOM 125 N LEU A 176 21.902 2.984 -2.898 1.00 63.11 N ATOM 126 CA LEU A 176 22.006 1.818 -3.769 1.00 23.03 C ATOM 127 C LEU A 176 22.274 0.555 -2.957 1.00 70.50 C ATOM 128 O LEU A 176 21.553 -0.435 -3.077 1.00 62.51 O ATOM 129 CB LEU A 176 23.120 2.023 -4.797 1.00 71.42 C ATOM 130 CG LEU A 176 22.672 2.168 -6.252 1.00 33.31 C ATOM 131 CD1 LEU A 176 22.202 3.588 -6.527 1.00 30.24 C ATOM 132 CD2 LEU A 176 23.800 1.785 -7.198 1.00 61.34 C ATOM 0 H LEU A 176 22.657 3.661 -3.008 1.00 63.11 H new ATOM 0 HA LEU A 176 21.056 1.698 -4.290 1.00 23.03 H new ATOM 0 HB2 LEU A 176 23.683 2.915 -4.520 1.00 71.42 H new ATOM 0 HB3 LEU A 176 23.807 1.179 -4.732 1.00 71.42 H new ATOM 0 HG LEU A 176 21.835 1.491 -6.424 1.00 33.31 H new ATOM 0 HD11 LEU A 176 21.887 3.672 -7.567 1.00 30.24 H new ATOM 0 HD12 LEU A 176 21.363 3.826 -5.873 1.00 30.24 H new ATOM 0 HD13 LEU A 176 23.019 4.285 -6.338 1.00 30.24 H new ATOM 0 HD21 LEU A 176 23.463 1.894 -8.229 1.00 61.34 H new ATOM 0 HD22 LEU A 176 24.657 2.436 -7.025 1.00 61.34 H new ATOM 0 HD23 LEU A 176 24.089 0.750 -7.019 1.00 61.34 H new ATOM 144 N GLU A 177 23.314 0.598 -2.130 1.00 33.12 N ATOM 145 CA GLU A 177 23.675 -0.544 -1.297 1.00 53.42 C ATOM 146 C GLU A 177 22.861 -0.554 -0.006 1.00 62.22 C ATOM 147 O GLU A 177 22.479 -1.614 0.491 1.00 55.10 O ATOM 148 CB GLU A 177 25.169 -0.513 -0.971 1.00 3.30 C ATOM 149 CG GLU A 177 25.973 -1.579 -1.696 1.00 72.12 C ATOM 150 CD GLU A 177 26.401 -1.144 -3.084 1.00 41.21 C ATOM 151 OE1 GLU A 177 25.575 -1.237 -4.016 1.00 34.21 O ATOM 152 OE2 GLU A 177 27.562 -0.710 -3.239 1.00 33.32 O ATOM 0 H GLU A 177 23.921 1.410 -2.019 1.00 33.12 H new ATOM 0 HA GLU A 177 23.451 -1.454 -1.854 1.00 53.42 H new ATOM 0 HB2 GLU A 177 25.568 0.468 -1.228 1.00 3.30 H new ATOM 0 HB3 GLU A 177 25.300 -0.639 0.104 1.00 3.30 H new ATOM 0 HG2 GLU A 177 26.857 -1.825 -1.108 1.00 72.12 H new ATOM 0 HG3 GLU A 177 25.378 -2.489 -1.772 1.00 72.12 H new ATOM 159 N HIS A 178 22.601 0.633 0.532 1.00 21.03 N ATOM 160 CA HIS A 178 21.835 0.761 1.767 1.00 55.25 C ATOM 161 C HIS A 178 20.346 0.914 1.468 1.00 1.32 C ATOM 162 O HIS A 178 19.849 2.027 1.301 1.00 40.33 O ATOM 163 CB HIS A 178 22.330 1.959 2.577 1.00 11.13 C ATOM 164 CG HIS A 178 23.815 1.978 2.771 1.00 11.32 C ATOM 165 ND1 HIS A 178 24.629 2.965 2.255 1.00 34.32 N ATOM 166 CD2 HIS A 178 24.633 1.125 3.431 1.00 74.11 C ATOM 167 CE1 HIS A 178 25.883 2.716 2.588 1.00 52.44 C ATOM 168 NE2 HIS A 178 25.912 1.606 3.302 1.00 65.43 N ATOM 0 H HIS A 178 22.909 1.520 0.133 1.00 21.03 H new ATOM 0 HA HIS A 178 21.979 -0.147 2.352 1.00 55.25 H new ATOM 0 HB2 HIS A 178 22.026 2.877 2.075 1.00 11.13 H new ATOM 0 HB3 HIS A 178 21.844 1.953 3.553 1.00 11.13 H new ATOM 0 HD2 HIS A 178 24.335 0.232 3.960 1.00 74.11 H new ATOM 0 HE1 HIS A 178 26.739 3.318 2.321 1.00 52.44 H new ATOM 0 HE2 HIS A 178 26.749 1.175 3.694 1.00 65.43 H new ATOM 175 N GLU A 179 19.642 -0.211 1.403 1.00 74.21 N ATOM 176 CA GLU A 179 18.211 -0.201 1.123 1.00 53.24 C ATOM 177 C GLU A 179 17.406 -0.015 2.406 1.00 62.10 C ATOM 178 O GLU A 179 16.176 -0.069 2.394 1.00 63.34 O ATOM 179 CB GLU A 179 17.795 -1.500 0.430 1.00 35.44 C ATOM 180 CG GLU A 179 17.221 -1.292 -0.961 1.00 62.22 C ATOM 181 CD GLU A 179 16.532 -2.531 -1.500 1.00 24.13 C ATOM 182 OE1 GLU A 179 15.871 -3.233 -0.707 1.00 35.23 O ATOM 183 OE2 GLU A 179 16.655 -2.799 -2.713 1.00 43.21 O ATOM 0 H GLU A 179 20.039 -1.141 1.540 1.00 74.21 H new ATOM 0 HA GLU A 179 18.003 0.639 0.460 1.00 53.24 H new ATOM 0 HB2 GLU A 179 18.661 -2.159 0.362 1.00 35.44 H new ATOM 0 HB3 GLU A 179 17.055 -2.010 1.047 1.00 35.44 H new ATOM 0 HG2 GLU A 179 16.509 -0.467 -0.936 1.00 62.22 H new ATOM 0 HG3 GLU A 179 18.022 -1.002 -1.641 1.00 62.22 H new ATOM 190 N ASP A 180 18.110 0.203 3.512 1.00 54.55 N ATOM 191 CA ASP A 180 17.462 0.397 4.804 1.00 42.32 C ATOM 192 C ASP A 180 17.809 1.764 5.386 1.00 54.34 C ATOM 193 O ASP A 180 17.942 1.917 6.599 1.00 22.42 O ATOM 194 CB ASP A 180 17.879 -0.706 5.778 1.00 44.23 C ATOM 195 CG ASP A 180 16.745 -1.134 6.688 1.00 70.45 C ATOM 196 OD1 ASP A 180 15.977 -2.036 6.293 1.00 72.12 O ATOM 197 OD2 ASP A 180 16.625 -0.567 7.794 1.00 73.40 O ATOM 0 H ASP A 180 19.129 0.250 3.540 1.00 54.55 H new ATOM 0 HA ASP A 180 16.384 0.349 4.653 1.00 42.32 H new ATOM 0 HB2 ASP A 180 18.234 -1.569 5.215 1.00 44.23 H new ATOM 0 HB3 ASP A 180 18.714 -0.355 6.384 1.00 44.23 H new ATOM 202 N GLU A 181 17.954 2.755 4.511 1.00 75.33 N ATOM 203 CA GLU A 181 18.287 4.108 4.939 1.00 53.34 C ATOM 204 C GLU A 181 17.618 5.143 4.039 1.00 51.54 C ATOM 205 O GLU A 181 16.765 4.810 3.216 1.00 34.32 O ATOM 206 CB GLU A 181 19.803 4.312 4.929 1.00 62.54 C ATOM 207 CG GLU A 181 20.363 4.786 6.259 1.00 35.33 C ATOM 208 CD GLU A 181 20.894 6.204 6.196 1.00 5.34 C ATOM 209 OE1 GLU A 181 21.460 6.580 5.149 1.00 42.53 O ATOM 210 OE2 GLU A 181 20.744 6.938 7.196 1.00 43.44 O ATOM 0 H GLU A 181 17.846 2.646 3.503 1.00 75.33 H new ATOM 0 HA GLU A 181 17.917 4.241 5.955 1.00 53.34 H new ATOM 0 HB2 GLU A 181 20.285 3.374 4.655 1.00 62.54 H new ATOM 0 HB3 GLU A 181 20.058 5.039 4.158 1.00 62.54 H new ATOM 0 HG2 GLU A 181 19.584 4.727 7.019 1.00 35.33 H new ATOM 0 HG3 GLU A 181 21.164 4.116 6.571 1.00 35.33 H new ATOM 217 N LYS A 182 18.011 6.402 4.201 1.00 1.21 N ATOM 218 CA LYS A 182 17.452 7.488 3.405 1.00 75.01 C ATOM 219 C LYS A 182 18.551 8.424 2.912 1.00 34.14 C ATOM 220 O LYS A 182 19.341 8.940 3.703 1.00 53.11 O ATOM 221 CB LYS A 182 16.427 8.275 4.226 1.00 22.50 C ATOM 222 CG LYS A 182 16.982 8.819 5.531 1.00 64.22 C ATOM 223 CD LYS A 182 15.881 9.382 6.413 1.00 3.34 C ATOM 224 CE LYS A 182 16.036 10.883 6.608 1.00 23.24 C ATOM 225 NZ LYS A 182 15.341 11.655 5.542 1.00 15.54 N ATOM 0 H LYS A 182 18.716 6.696 4.878 1.00 1.21 H new ATOM 0 HA LYS A 182 16.956 7.051 2.538 1.00 75.01 H new ATOM 0 HB2 LYS A 182 16.053 9.105 3.626 1.00 22.50 H new ATOM 0 HB3 LYS A 182 15.576 7.630 4.444 1.00 22.50 H new ATOM 0 HG2 LYS A 182 17.506 8.025 6.064 1.00 64.22 H new ATOM 0 HG3 LYS A 182 17.714 9.598 5.319 1.00 64.22 H new ATOM 0 HD2 LYS A 182 14.910 9.171 5.965 1.00 3.34 H new ATOM 0 HD3 LYS A 182 15.900 8.884 7.382 1.00 3.34 H new ATOM 0 HE2 LYS A 182 15.635 11.166 7.581 1.00 23.24 H new ATOM 0 HE3 LYS A 182 17.095 11.141 6.612 1.00 23.24 H new ATOM 0 HZ1 LYS A 182 15.470 12.673 5.710 1.00 15.54 H new ATOM 0 HZ2 LYS A 182 15.740 11.404 4.615 1.00 15.54 H new ATOM 0 HZ3 LYS A 182 14.326 11.428 5.555 1.00 15.54 H new ATOM 239 N VAL A 183 18.594 8.640 1.601 1.00 24.25 N ATOM 240 CA VAL A 183 19.594 9.517 1.004 1.00 24.31 C ATOM 241 C VAL A 183 19.623 10.872 1.701 1.00 5.22 C ATOM 242 O VAL A 183 18.729 11.200 2.480 1.00 44.32 O ATOM 243 CB VAL A 183 19.328 9.730 -0.498 1.00 24.10 C ATOM 244 CG1 VAL A 183 19.500 8.425 -1.261 1.00 53.32 C ATOM 245 CG2 VAL A 183 17.937 10.306 -0.716 1.00 25.12 C ATOM 0 H VAL A 183 17.948 8.220 0.933 1.00 24.25 H new ATOM 0 HA VAL A 183 20.560 9.027 1.129 1.00 24.31 H new ATOM 0 HB VAL A 183 20.056 10.445 -0.881 1.00 24.10 H new ATOM 0 HG11 VAL A 183 19.308 8.595 -2.320 1.00 53.32 H new ATOM 0 HG12 VAL A 183 20.518 8.059 -1.131 1.00 53.32 H new ATOM 0 HG13 VAL A 183 18.797 7.685 -0.879 1.00 53.32 H new ATOM 0 HG21 VAL A 183 17.766 10.450 -1.783 1.00 25.12 H new ATOM 0 HG22 VAL A 183 17.192 9.617 -0.319 1.00 25.12 H new ATOM 0 HG23 VAL A 183 17.855 11.264 -0.203 1.00 25.12 H new ATOM 255 N ASN A 184 20.658 11.656 1.415 1.00 12.44 N ATOM 256 CA ASN A 184 20.804 12.978 2.015 1.00 74.12 C ATOM 257 C ASN A 184 21.153 14.020 0.956 1.00 34.14 C ATOM 258 O ASN A 184 20.508 15.064 0.863 1.00 41.12 O ATOM 259 CB ASN A 184 21.884 12.953 3.098 1.00 41.22 C ATOM 260 CG ASN A 184 21.476 13.723 4.339 1.00 22.11 C ATOM 261 OD1 ASN A 184 22.211 14.588 4.816 1.00 51.11 O ATOM 262 ND2 ASN A 184 20.299 13.410 4.869 1.00 43.31 N ATOM 0 H ASN A 184 21.407 11.399 0.772 1.00 12.44 H new ATOM 0 HA ASN A 184 19.851 13.252 2.468 1.00 74.12 H new ATOM 0 HB2 ASN A 184 22.099 11.919 3.369 1.00 41.22 H new ATOM 0 HB3 ASN A 184 22.806 13.376 2.698 1.00 41.22 H new ATOM 0 HD21 ASN A 184 19.971 13.894 5.705 1.00 43.31 H new ATOM 0 HD22 ASN A 184 19.723 12.686 4.440 1.00 43.31 H new ATOM 269 N MET A 185 22.176 13.728 0.161 1.00 24.51 N ATOM 270 CA MET A 185 22.610 14.639 -0.892 1.00 22.42 C ATOM 271 C MET A 185 23.191 13.867 -2.073 1.00 12.41 C ATOM 272 O MET A 185 23.118 12.639 -2.121 1.00 11.32 O ATOM 273 CB MET A 185 23.649 15.621 -0.349 1.00 43.50 C ATOM 274 CG MET A 185 23.078 16.625 0.640 1.00 64.21 C ATOM 275 SD MET A 185 23.307 16.117 2.355 1.00 73.32 S ATOM 276 CE MET A 185 23.588 17.700 3.143 1.00 44.54 C ATOM 0 H MET A 185 22.720 12.868 0.225 1.00 24.51 H new ATOM 0 HA MET A 185 21.740 15.196 -1.238 1.00 22.42 H new ATOM 0 HB2 MET A 185 24.448 15.060 0.136 1.00 43.50 H new ATOM 0 HB3 MET A 185 24.098 16.160 -1.183 1.00 43.50 H new ATOM 0 HG2 MET A 185 23.554 17.593 0.485 1.00 64.21 H new ATOM 0 HG3 MET A 185 22.014 16.758 0.443 1.00 64.21 H new ATOM 0 HE1 MET A 185 23.747 17.552 4.211 1.00 44.54 H new ATOM 0 HE2 MET A 185 24.469 18.172 2.707 1.00 44.54 H new ATOM 0 HE3 MET A 185 22.720 18.341 2.991 1.00 44.54 H new ATOM 286 N TYR A 186 23.766 14.595 -3.023 1.00 44.33 N ATOM 287 CA TYR A 186 24.357 13.979 -4.205 1.00 44.33 C ATOM 288 C TYR A 186 25.794 14.451 -4.405 1.00 3.41 C ATOM 289 O TYR A 186 26.045 15.655 -4.368 1.00 13.20 O ATOM 290 CB TYR A 186 23.525 14.305 -5.446 1.00 53.24 C ATOM 291 CG TYR A 186 24.111 13.760 -6.729 1.00 75.50 C ATOM 292 CD1 TYR A 186 23.775 12.490 -7.184 1.00 52.32 C ATOM 293 CD2 TYR A 186 25.000 14.512 -7.485 1.00 43.42 C ATOM 294 CE1 TYR A 186 24.308 11.987 -8.355 1.00 41.11 C ATOM 295 CE2 TYR A 186 25.537 14.018 -8.658 1.00 62.00 C ATOM 296 CZ TYR A 186 25.188 12.755 -9.089 1.00 23.13 C ATOM 297 OH TYR A 186 25.722 12.258 -10.256 1.00 1.32 O ATOM 0 H TYR A 186 23.836 15.612 -2.998 1.00 44.33 H new ATOM 0 HA TYR A 186 24.366 12.900 -4.054 1.00 44.33 H new ATOM 0 HB2 TYR A 186 22.521 13.902 -5.316 1.00 53.24 H new ATOM 0 HB3 TYR A 186 23.426 15.387 -5.533 1.00 53.24 H new ATOM 0 HD1 TYR A 186 23.086 11.886 -6.612 1.00 52.32 H new ATOM 0 HD2 TYR A 186 25.277 15.501 -7.150 1.00 43.42 H new ATOM 0 HE1 TYR A 186 24.037 10.998 -8.694 1.00 41.11 H new ATOM 0 HE2 TYR A 186 26.226 14.617 -9.234 1.00 62.00 H new ATOM 0 HH TYR A 186 25.346 12.742 -11.020 1.00 1.32 H new ATOM 307 N CYS A 187 26.697 13.503 -4.610 1.00 53.24 N ATOM 308 CA CYS A 187 28.097 13.834 -4.814 1.00 52.01 C ATOM 309 C CYS A 187 28.297 14.190 -6.289 1.00 14.24 C ATOM 310 O CYS A 187 28.322 13.331 -7.170 1.00 51.44 O ATOM 311 CB CYS A 187 29.017 12.695 -4.372 1.00 63.44 C ATOM 312 SG CYS A 187 29.843 13.132 -2.799 1.00 24.40 S ATOM 0 H CYS A 187 26.486 12.505 -4.639 1.00 53.24 H new ATOM 0 HA CYS A 187 28.365 14.691 -4.195 1.00 52.01 H new ATOM 0 HB2 CYS A 187 28.440 11.778 -4.247 1.00 63.44 H new ATOM 0 HB3 CYS A 187 29.763 12.500 -5.142 1.00 63.44 H new ATOM 0 HG CYS A 187 29.999 14.421 -2.734 1.00 24.40 H new ATOM 317 N VAL A 188 28.439 15.488 -6.539 1.00 23.12 N ATOM 318 CA VAL A 188 28.640 15.988 -7.894 1.00 20.24 C ATOM 319 C VAL A 188 30.047 15.676 -8.392 1.00 11.35 C ATOM 320 O VAL A 188 30.278 15.545 -9.594 1.00 53.11 O ATOM 321 CB VAL A 188 28.405 17.508 -7.972 1.00 35.13 C ATOM 322 CG1 VAL A 188 28.519 17.993 -9.409 1.00 10.02 C ATOM 323 CG2 VAL A 188 27.048 17.867 -7.385 1.00 55.15 C ATOM 0 H VAL A 188 28.419 16.212 -5.821 1.00 23.12 H new ATOM 0 HA VAL A 188 27.913 15.482 -8.529 1.00 20.24 H new ATOM 0 HB VAL A 188 29.174 18.008 -7.383 1.00 35.13 H new ATOM 0 HG11 VAL A 188 28.350 19.069 -9.444 1.00 10.02 H new ATOM 0 HG12 VAL A 188 29.515 17.770 -9.790 1.00 10.02 H new ATOM 0 HG13 VAL A 188 27.774 17.488 -10.024 1.00 10.02 H new ATOM 0 HG21 VAL A 188 26.898 18.945 -7.448 1.00 55.15 H new ATOM 0 HG22 VAL A 188 26.263 17.358 -7.945 1.00 55.15 H new ATOM 0 HG23 VAL A 188 27.009 17.556 -6.341 1.00 55.15 H new ATOM 333 N THR A 189 30.986 15.558 -7.458 1.00 45.14 N ATOM 334 CA THR A 189 32.372 15.264 -7.802 1.00 30.03 C ATOM 335 C THR A 189 32.496 13.897 -8.464 1.00 71.32 C ATOM 336 O THR A 189 33.024 13.778 -9.570 1.00 21.31 O ATOM 337 CB THR A 189 33.280 15.303 -6.558 1.00 15.23 C ATOM 338 OG1 THR A 189 32.495 15.128 -5.373 1.00 14.10 O ATOM 339 CG2 THR A 189 34.036 16.621 -6.481 1.00 32.11 C ATOM 0 H THR A 189 30.812 15.661 -6.458 1.00 45.14 H new ATOM 0 HA THR A 189 32.694 16.035 -8.502 1.00 30.03 H new ATOM 0 HB THR A 189 34.003 14.491 -6.638 1.00 15.23 H new ATOM 0 HG1 THR A 189 33.073 14.836 -4.638 1.00 14.10 H new ATOM 0 HG21 THR A 189 34.670 16.625 -5.595 1.00 32.11 H new ATOM 0 HG22 THR A 189 34.655 16.738 -7.371 1.00 32.11 H new ATOM 0 HG23 THR A 189 33.325 17.445 -6.422 1.00 32.11 H new ATOM 347 N ASP A 190 32.006 12.868 -7.782 1.00 75.43 N ATOM 348 CA ASP A 190 32.060 11.508 -8.306 1.00 73.32 C ATOM 349 C ASP A 190 30.823 11.199 -9.145 1.00 24.22 C ATOM 350 O ASP A 190 30.768 10.181 -9.835 1.00 34.32 O ATOM 351 CB ASP A 190 32.179 10.501 -7.161 1.00 13.44 C ATOM 352 CG ASP A 190 33.073 11.000 -6.043 1.00 24.32 C ATOM 353 OD1 ASP A 190 34.307 10.849 -6.159 1.00 44.25 O ATOM 354 OD2 ASP A 190 32.540 11.539 -5.051 1.00 14.41 O ATOM 0 H ASP A 190 31.567 12.949 -6.865 1.00 75.43 H new ATOM 0 HA ASP A 190 32.940 11.426 -8.944 1.00 73.32 H new ATOM 0 HB2 ASP A 190 31.187 10.290 -6.762 1.00 13.44 H new ATOM 0 HB3 ASP A 190 32.574 9.561 -7.547 1.00 13.44 H new ATOM 359 N ASP A 191 29.834 12.083 -9.079 1.00 44.23 N ATOM 360 CA ASP A 191 28.598 11.905 -9.832 1.00 44.45 C ATOM 361 C ASP A 191 27.844 10.668 -9.355 1.00 44.12 C ATOM 362 O ASP A 191 27.591 9.747 -10.131 1.00 55.43 O ATOM 363 CB ASP A 191 28.899 11.789 -11.328 1.00 4.44 C ATOM 364 CG ASP A 191 27.754 12.284 -12.189 1.00 10.12 C ATOM 365 OD1 ASP A 191 27.517 13.510 -12.215 1.00 3.23 O ATOM 366 OD2 ASP A 191 27.095 11.445 -12.838 1.00 11.34 O ATOM 0 H ASP A 191 29.864 12.930 -8.512 1.00 44.23 H new ATOM 0 HA ASP A 191 27.969 12.779 -9.662 1.00 44.45 H new ATOM 0 HB2 ASP A 191 29.798 12.360 -11.560 1.00 4.44 H new ATOM 0 HB3 ASP A 191 29.111 10.748 -11.573 1.00 4.44 H new ATOM 371 N GLN A 192 27.491 10.654 -8.074 1.00 50.31 N ATOM 372 CA GLN A 192 26.768 9.529 -7.494 1.00 32.02 C ATOM 373 C GLN A 192 26.103 9.928 -6.180 1.00 42.03 C ATOM 374 O GLN A 192 26.755 10.455 -5.278 1.00 12.23 O ATOM 375 CB GLN A 192 27.716 8.351 -7.262 1.00 52.11 C ATOM 376 CG GLN A 192 27.030 7.122 -6.688 1.00 21.03 C ATOM 377 CD GLN A 192 27.960 5.929 -6.587 1.00 34.32 C ATOM 378 OE1 GLN A 192 28.554 5.505 -7.578 1.00 62.32 O ATOM 379 NE2 GLN A 192 28.090 5.380 -5.385 1.00 22.33 N ATOM 0 H GLN A 192 27.694 11.409 -7.418 1.00 50.31 H new ATOM 0 HA GLN A 192 25.991 9.228 -8.197 1.00 32.02 H new ATOM 0 HB2 GLN A 192 28.189 8.085 -8.207 1.00 52.11 H new ATOM 0 HB3 GLN A 192 28.511 8.663 -6.584 1.00 52.11 H new ATOM 0 HG2 GLN A 192 26.639 7.358 -5.698 1.00 21.03 H new ATOM 0 HG3 GLN A 192 26.177 6.861 -7.314 1.00 21.03 H new ATOM 0 HE21 GLN A 192 27.578 5.764 -4.591 1.00 22.33 H new ATOM 0 HE22 GLN A 192 28.702 4.574 -5.256 1.00 22.33 H new ATOM 388 N LEU A 193 24.803 9.674 -6.080 1.00 22.12 N ATOM 389 CA LEU A 193 24.049 10.007 -4.876 1.00 43.22 C ATOM 390 C LEU A 193 24.731 9.444 -3.633 1.00 73.44 C ATOM 391 O LEU A 193 25.430 8.432 -3.702 1.00 13.13 O ATOM 392 CB LEU A 193 22.622 9.467 -4.979 1.00 20.43 C ATOM 393 CG LEU A 193 21.502 10.473 -4.711 1.00 43.15 C ATOM 394 CD1 LEU A 193 20.268 10.128 -5.529 1.00 74.33 C ATOM 395 CD2 LEU A 193 21.167 10.516 -3.228 1.00 13.22 C ATOM 0 H LEU A 193 24.249 9.239 -6.818 1.00 22.12 H new ATOM 0 HA LEU A 193 24.014 11.093 -4.787 1.00 43.22 H new ATOM 0 HB2 LEU A 193 22.482 9.056 -5.979 1.00 20.43 H new ATOM 0 HB3 LEU A 193 22.516 8.640 -4.276 1.00 20.43 H new ATOM 0 HG LEU A 193 21.848 11.462 -5.013 1.00 43.15 H new ATOM 0 HD11 LEU A 193 19.482 10.855 -5.325 1.00 74.33 H new ATOM 0 HD12 LEU A 193 20.517 10.150 -6.590 1.00 74.33 H new ATOM 0 HD13 LEU A 193 19.920 9.131 -5.259 1.00 74.33 H new ATOM 0 HD21 LEU A 193 20.368 11.237 -3.056 1.00 13.22 H new ATOM 0 HD22 LEU A 193 20.842 9.529 -2.900 1.00 13.22 H new ATOM 0 HD23 LEU A 193 22.051 10.813 -2.664 1.00 13.22 H new ATOM 407 N ILE A 194 24.521 10.103 -2.499 1.00 55.13 N ATOM 408 CA ILE A 194 25.112 9.666 -1.241 1.00 4.10 C ATOM 409 C ILE A 194 24.169 9.924 -0.071 1.00 31.50 C ATOM 410 O ILE A 194 23.482 10.944 -0.065 1.00 35.45 O ATOM 411 CB ILE A 194 26.452 10.377 -0.972 1.00 12.11 C ATOM 412 CG1 ILE A 194 26.366 11.847 -1.388 1.00 3.24 C ATOM 413 CG2 ILE A 194 27.581 9.677 -1.712 1.00 24.41 C ATOM 414 CD1 ILE A 194 27.091 12.784 -0.447 1.00 44.21 C ATOM 0 H ILE A 194 23.946 10.942 -2.426 1.00 55.13 H new ATOM 0 HA ILE A 194 25.290 8.594 -1.331 1.00 4.10 H new ATOM 0 HB ILE A 194 26.662 10.333 0.097 1.00 12.11 H new ATOM 0 HG12 ILE A 194 26.781 11.958 -2.390 1.00 3.24 H new ATOM 0 HG13 ILE A 194 25.318 12.140 -1.443 1.00 3.24 H new ATOM 0 HG21 ILE A 194 28.521 10.191 -1.512 1.00 24.41 H new ATOM 0 HG22 ILE A 194 27.653 8.644 -1.372 1.00 24.41 H new ATOM 0 HG23 ILE A 194 27.379 9.694 -2.783 1.00 24.41 H new ATOM 0 HD11 ILE A 194 26.988 13.809 -0.803 1.00 44.21 H new ATOM 0 HD12 ILE A 194 26.661 12.702 0.551 1.00 44.21 H new ATOM 0 HD13 ILE A 194 28.147 12.517 -0.410 1.00 44.21 H new ATOM 426 N CYS A 195 24.157 9.005 0.884 1.00 64.23 N ATOM 427 CA CYS A 195 23.299 9.145 2.047 1.00 15.32 C ATOM 428 C CYS A 195 24.165 9.565 3.236 1.00 1.21 C ATOM 429 O CYS A 195 25.363 9.819 3.113 1.00 60.31 O ATOM 430 CB CYS A 195 22.520 7.860 2.334 1.00 21.32 C ATOM 431 SG CYS A 195 23.657 6.564 2.949 1.00 33.03 S ATOM 0 H CYS A 195 24.729 8.160 0.875 1.00 64.23 H new ATOM 0 HA CYS A 195 22.548 9.912 1.857 1.00 15.32 H new ATOM 0 HB2 CYS A 195 21.742 8.054 3.073 1.00 21.32 H new ATOM 0 HB3 CYS A 195 22.021 7.517 1.428 1.00 21.32 H new ATOM 0 HG CYS A 195 24.720 6.529 2.202 1.00 33.03 H new ATOM 436 N ALA A 196 23.527 9.633 4.400 1.00 41.51 N ATOM 437 CA ALA A 196 24.215 10.016 5.627 1.00 72.12 C ATOM 438 C ALA A 196 25.206 8.940 6.059 1.00 54.40 C ATOM 439 O ALA A 196 26.302 9.245 6.530 1.00 0.15 O ATOM 440 CB ALA A 196 23.207 10.284 6.735 1.00 62.00 C ATOM 0 H ALA A 196 22.535 9.428 4.519 1.00 41.51 H new ATOM 0 HA ALA A 196 24.775 10.931 5.431 1.00 72.12 H new ATOM 0 HB1 ALA A 196 23.734 10.569 7.645 1.00 62.00 H new ATOM 0 HB2 ALA A 196 22.541 11.092 6.433 1.00 62.00 H new ATOM 0 HB3 ALA A 196 22.623 9.383 6.921 1.00 62.00 H new ATOM 446 N LEU A 197 24.813 7.682 5.896 1.00 24.32 N ATOM 447 CA LEU A 197 25.668 6.560 6.270 1.00 34.30 C ATOM 448 C LEU A 197 26.885 6.474 5.355 1.00 22.14 C ATOM 449 O LEU A 197 27.867 5.828 5.719 1.00 2.51 O ATOM 450 CB LEU A 197 24.878 5.251 6.211 1.00 23.35 C ATOM 451 CG LEU A 197 25.214 4.216 7.286 1.00 65.44 C ATOM 452 CD1 LEU A 197 23.983 3.889 8.116 1.00 1.13 C ATOM 453 CD2 LEU A 197 25.782 2.954 6.652 1.00 41.15 C ATOM 0 H LEU A 197 23.909 7.413 5.508 1.00 24.32 H new ATOM 0 HA LEU A 197 26.015 6.723 7.290 1.00 34.30 H new ATOM 0 HB2 LEU A 197 23.816 5.487 6.281 1.00 23.35 H new ATOM 0 HB3 LEU A 197 25.039 4.796 5.234 1.00 23.35 H new ATOM 0 HG LEU A 197 25.970 4.640 7.947 1.00 65.44 H new ATOM 0 HD11 LEU A 197 24.242 3.151 8.875 1.00 1.13 H new ATOM 0 HD12 LEU A 197 23.619 4.795 8.600 1.00 1.13 H new ATOM 0 HD13 LEU A 197 23.204 3.486 7.469 1.00 1.13 H new ATOM 0 HD21 LEU A 197 26.015 2.229 7.431 1.00 41.15 H new ATOM 0 HD22 LEU A 197 25.048 2.528 5.968 1.00 41.15 H new ATOM 0 HD23 LEU A 197 26.690 3.200 6.102 1.00 41.15 H new ATOM 465 N CYS A 198 26.797 7.121 4.202 1.00 22.44 N ATOM 466 CA CYS A 198 27.897 7.111 3.253 1.00 22.11 C ATOM 467 C CYS A 198 28.926 8.152 3.699 1.00 12.01 C ATOM 468 O CYS A 198 30.134 7.995 3.522 1.00 21.33 O ATOM 469 CB CYS A 198 27.413 7.363 1.824 1.00 61.23 C ATOM 470 SG CYS A 198 26.885 5.788 1.055 1.00 10.22 S ATOM 0 H CYS A 198 25.981 7.655 3.904 1.00 22.44 H new ATOM 0 HA CYS A 198 28.361 6.125 3.241 1.00 22.11 H new ATOM 0 HB2 CYS A 198 26.583 8.070 1.832 1.00 61.23 H new ATOM 0 HB3 CYS A 198 28.211 7.815 1.235 1.00 61.23 H new ATOM 0 HG CYS A 198 25.688 5.924 0.565 1.00 10.22 H new ATOM 475 N LYS A 199 28.416 9.229 4.287 1.00 41.22 N ATOM 476 CA LYS A 199 29.265 10.311 4.771 1.00 50.44 C ATOM 477 C LYS A 199 29.932 9.932 6.089 1.00 61.12 C ATOM 478 O LYS A 199 30.894 10.572 6.517 1.00 55.03 O ATOM 479 CB LYS A 199 28.443 11.590 4.952 1.00 22.41 C ATOM 480 CG LYS A 199 28.038 12.243 3.642 1.00 11.23 C ATOM 481 CD LYS A 199 28.196 13.753 3.700 1.00 10.33 C ATOM 482 CE LYS A 199 26.927 14.428 4.197 1.00 35.02 C ATOM 483 NZ LYS A 199 27.068 14.914 5.598 1.00 64.23 N ATOM 0 H LYS A 199 27.418 9.376 4.440 1.00 41.22 H new ATOM 0 HA LYS A 199 30.043 10.488 4.029 1.00 50.44 H new ATOM 0 HB2 LYS A 199 27.545 11.357 5.525 1.00 22.41 H new ATOM 0 HB3 LYS A 199 29.021 12.303 5.540 1.00 22.41 H new ATOM 0 HG2 LYS A 199 28.647 11.843 2.831 1.00 11.23 H new ATOM 0 HG3 LYS A 199 27.002 11.993 3.415 1.00 11.23 H new ATOM 0 HD2 LYS A 199 29.027 14.008 4.358 1.00 10.33 H new ATOM 0 HD3 LYS A 199 28.447 14.132 2.709 1.00 10.33 H new ATOM 0 HE2 LYS A 199 26.683 15.266 3.545 1.00 35.02 H new ATOM 0 HE3 LYS A 199 26.095 13.726 4.138 1.00 35.02 H new ATOM 0 HZ1 LYS A 199 26.182 15.368 5.899 1.00 64.23 H new ATOM 0 HZ2 LYS A 199 27.276 14.111 6.225 1.00 64.23 H new ATOM 0 HZ3 LYS A 199 27.845 15.604 5.650 1.00 64.23 H new ATOM 497 N LEU A 200 29.418 8.887 6.728 1.00 75.04 N ATOM 498 CA LEU A 200 29.965 8.420 7.997 1.00 43.35 C ATOM 499 C LEU A 200 30.768 7.137 7.804 1.00 11.53 C ATOM 500 O LEU A 200 31.866 6.993 8.342 1.00 51.21 O ATOM 501 CB LEU A 200 28.839 8.185 9.005 1.00 63.32 C ATOM 502 CG LEU A 200 29.060 8.761 10.404 1.00 54.22 C ATOM 503 CD1 LEU A 200 29.074 10.281 10.359 1.00 53.24 C ATOM 504 CD2 LEU A 200 27.986 8.264 11.361 1.00 52.14 C ATOM 0 H LEU A 200 28.623 8.347 6.388 1.00 75.04 H new ATOM 0 HA LEU A 200 30.633 9.190 8.382 1.00 43.35 H new ATOM 0 HB2 LEU A 200 27.921 8.610 8.600 1.00 63.32 H new ATOM 0 HB3 LEU A 200 28.679 7.111 9.097 1.00 63.32 H new ATOM 0 HG LEU A 200 30.029 8.420 10.768 1.00 54.22 H new ATOM 0 HD11 LEU A 200 29.232 10.673 11.364 1.00 53.24 H new ATOM 0 HD12 LEU A 200 29.879 10.618 9.707 1.00 53.24 H new ATOM 0 HD13 LEU A 200 28.120 10.642 9.975 1.00 53.24 H new ATOM 0 HD21 LEU A 200 28.159 8.684 12.352 1.00 52.14 H new ATOM 0 HD22 LEU A 200 27.005 8.576 11.001 1.00 52.14 H new ATOM 0 HD23 LEU A 200 28.023 7.176 11.416 1.00 52.14 H new ATOM 516 N VAL A 201 30.213 6.208 7.032 1.00 1.51 N ATOM 517 CA VAL A 201 30.879 4.939 6.765 1.00 13.10 C ATOM 518 C VAL A 201 31.763 5.032 5.527 1.00 50.14 C ATOM 519 O VAL A 201 32.885 4.529 5.513 1.00 24.41 O ATOM 520 CB VAL A 201 29.859 3.801 6.570 1.00 24.13 C ATOM 521 CG1 VAL A 201 30.574 2.475 6.355 1.00 55.32 C ATOM 522 CG2 VAL A 201 28.917 3.721 7.762 1.00 71.34 C ATOM 0 H VAL A 201 29.304 6.311 6.581 1.00 1.51 H new ATOM 0 HA VAL A 201 31.499 4.717 7.634 1.00 13.10 H new ATOM 0 HB VAL A 201 29.266 4.015 5.681 1.00 24.13 H new ATOM 0 HG11 VAL A 201 29.838 1.683 6.219 1.00 55.32 H new ATOM 0 HG12 VAL A 201 31.204 2.541 5.468 1.00 55.32 H new ATOM 0 HG13 VAL A 201 31.193 2.250 7.224 1.00 55.32 H new ATOM 0 HG21 VAL A 201 28.203 2.912 7.608 1.00 71.34 H new ATOM 0 HG22 VAL A 201 29.492 3.530 8.668 1.00 71.34 H new ATOM 0 HG23 VAL A 201 28.380 4.664 7.865 1.00 71.34 H new ATOM 532 N GLY A 202 31.249 5.681 4.486 1.00 33.21 N ATOM 533 CA GLY A 202 32.005 5.828 3.256 1.00 11.12 C ATOM 534 C GLY A 202 33.063 6.909 3.352 1.00 11.42 C ATOM 535 O GLY A 202 33.644 7.126 4.416 1.00 55.31 O ATOM 0 H GLY A 202 30.323 6.107 4.473 1.00 33.21 H new ATOM 0 HA2 GLY A 202 32.481 4.879 3.010 1.00 11.12 H new ATOM 0 HA3 GLY A 202 31.322 6.063 2.439 1.00 11.12 H new ATOM 539 N ARG A 203 33.315 7.589 2.238 1.00 25.51 N ATOM 540 CA ARG A 203 34.314 8.651 2.200 1.00 35.44 C ATOM 541 C ARG A 203 33.772 9.880 1.478 1.00 52.34 C ATOM 542 O ARG A 203 34.535 10.689 0.948 1.00 21.13 O ATOM 543 CB ARG A 203 35.587 8.159 1.509 1.00 75.10 C ATOM 544 CG ARG A 203 36.851 8.398 2.318 1.00 15.34 C ATOM 545 CD ARG A 203 38.085 7.895 1.586 1.00 14.11 C ATOM 546 NE ARG A 203 38.011 6.463 1.310 1.00 25.24 N ATOM 547 CZ ARG A 203 38.178 5.526 2.238 1.00 52.51 C ATOM 548 NH1 ARG A 203 38.425 5.870 3.494 1.00 20.24 N ATOM 549 NH2 ARG A 203 38.096 4.243 1.909 1.00 4.52 N ATOM 0 H ARG A 203 32.841 7.424 1.350 1.00 25.51 H new ATOM 0 HA ARG A 203 34.552 8.929 3.227 1.00 35.44 H new ATOM 0 HB2 ARG A 203 35.491 7.092 1.307 1.00 75.10 H new ATOM 0 HB3 ARG A 203 35.683 8.658 0.545 1.00 75.10 H new ATOM 0 HG2 ARG A 203 36.957 9.463 2.523 1.00 15.34 H new ATOM 0 HG3 ARG A 203 36.768 7.895 3.281 1.00 15.34 H new ATOM 0 HD2 ARG A 203 38.198 8.440 0.649 1.00 14.11 H new ATOM 0 HD3 ARG A 203 38.972 8.104 2.184 1.00 14.11 H new ATOM 0 HE ARG A 203 37.821 6.166 0.353 1.00 25.24 H new ATOM 0 HH11 ARG A 203 38.487 6.855 3.750 1.00 20.24 H new ATOM 0 HH12 ARG A 203 38.553 5.149 4.204 1.00 20.24 H new ATOM 0 HH21 ARG A 203 37.905 3.975 0.944 1.00 4.52 H new ATOM 0 HH22 ARG A 203 38.224 3.525 2.622 1.00 4.52 H new ATOM 563 N HIS A 204 32.449 10.015 1.459 1.00 64.20 N ATOM 564 CA HIS A 204 31.805 11.146 0.800 1.00 22.43 C ATOM 565 C HIS A 204 31.490 12.251 1.803 1.00 3.34 C ATOM 566 O HIS A 204 30.443 12.894 1.725 1.00 31.42 O ATOM 567 CB HIS A 204 30.522 10.693 0.103 1.00 50.22 C ATOM 568 CG HIS A 204 30.725 9.547 -0.840 1.00 33.14 C ATOM 569 ND1 HIS A 204 31.372 9.674 -2.050 1.00 60.45 N ATOM 570 CD2 HIS A 204 30.363 8.246 -0.742 1.00 54.35 C ATOM 571 CE1 HIS A 204 31.398 8.501 -2.658 1.00 71.12 C ATOM 572 NE2 HIS A 204 30.792 7.618 -1.885 1.00 62.42 N ATOM 0 H HIS A 204 31.803 9.355 1.892 1.00 64.20 H new ATOM 0 HA HIS A 204 32.495 11.542 0.054 1.00 22.43 H new ATOM 0 HB2 HIS A 204 29.790 10.406 0.858 1.00 50.22 H new ATOM 0 HB3 HIS A 204 30.100 11.535 -0.446 1.00 50.22 H new ATOM 0 HD1 HIS A 204 31.769 10.538 -2.419 1.00 60.45 H new ATOM 0 HD2 HIS A 204 29.835 7.788 0.081 1.00 54.35 H new ATOM 0 HE1 HIS A 204 31.840 8.299 -3.623 1.00 71.12 H new ATOM 579 N ARG A 205 32.403 12.467 2.745 1.00 61.11 N ATOM 580 CA ARG A 205 32.221 13.493 3.764 1.00 5.24 C ATOM 581 C ARG A 205 32.888 14.800 3.345 1.00 52.22 C ATOM 582 O ARG A 205 32.286 15.871 3.432 1.00 64.02 O ATOM 583 CB ARG A 205 32.796 13.022 5.101 1.00 22.53 C ATOM 584 CG ARG A 205 32.735 14.074 6.196 1.00 43.41 C ATOM 585 CD ARG A 205 33.271 13.539 7.514 1.00 31.25 C ATOM 586 NE ARG A 205 32.198 13.234 8.458 1.00 44.43 N ATOM 587 CZ ARG A 205 31.587 14.153 9.197 1.00 53.34 C ATOM 588 NH1 ARG A 205 31.940 15.428 9.101 1.00 34.24 N ATOM 589 NH2 ARG A 205 30.619 13.798 10.032 1.00 3.25 N ATOM 0 H ARG A 205 33.276 11.945 2.823 1.00 61.11 H new ATOM 0 HA ARG A 205 31.152 13.670 3.878 1.00 5.24 H new ATOM 0 HB2 ARG A 205 32.251 12.137 5.429 1.00 22.53 H new ATOM 0 HB3 ARG A 205 33.834 12.722 4.955 1.00 22.53 H new ATOM 0 HG2 ARG A 205 33.313 14.948 5.895 1.00 43.41 H new ATOM 0 HG3 ARG A 205 31.704 14.404 6.328 1.00 43.41 H new ATOM 0 HD2 ARG A 205 33.857 12.639 7.328 1.00 31.25 H new ATOM 0 HD3 ARG A 205 33.945 14.273 7.956 1.00 31.25 H new ATOM 0 HE ARG A 205 31.902 12.263 8.555 1.00 44.43 H new ATOM 0 HH11 ARG A 205 32.682 15.705 8.458 1.00 34.24 H new ATOM 0 HH12 ARG A 205 31.469 16.132 9.670 1.00 34.24 H new ATOM 0 HH21 ARG A 205 30.344 12.819 10.107 1.00 3.25 H new ATOM 0 HH22 ARG A 205 30.150 14.504 10.599 1.00 3.25 H new ATOM 603 N ASP A 206 34.132 14.704 2.891 1.00 44.44 N ATOM 604 CA ASP A 206 34.881 15.879 2.457 1.00 74.42 C ATOM 605 C ASP A 206 34.672 16.136 0.968 1.00 43.13 C ATOM 606 O ASP A 206 35.321 17.002 0.380 1.00 0.30 O ATOM 607 CB ASP A 206 36.370 15.698 2.752 1.00 3.34 C ATOM 608 CG ASP A 206 36.841 16.563 3.906 1.00 75.14 C ATOM 609 OD1 ASP A 206 37.004 17.784 3.703 1.00 14.10 O ATOM 610 OD2 ASP A 206 37.046 16.018 5.011 1.00 43.04 O ATOM 0 H ASP A 206 34.644 13.825 2.814 1.00 44.44 H new ATOM 0 HA ASP A 206 34.511 16.741 3.012 1.00 74.42 H new ATOM 0 HB2 ASP A 206 36.567 14.651 2.982 1.00 3.34 H new ATOM 0 HB3 ASP A 206 36.947 15.942 1.860 1.00 3.34 H new ATOM 615 N HIS A 207 33.764 15.378 0.363 1.00 72.45 N ATOM 616 CA HIS A 207 33.470 15.524 -1.059 1.00 32.23 C ATOM 617 C HIS A 207 32.538 16.707 -1.302 1.00 10.12 C ATOM 618 O HIS A 207 32.063 17.338 -0.358 1.00 52.11 O ATOM 619 CB HIS A 207 32.839 14.243 -1.605 1.00 63.51 C ATOM 620 CG HIS A 207 33.820 13.126 -1.794 1.00 35.12 C ATOM 621 ND1 HIS A 207 33.469 11.896 -2.310 1.00 43.35 N ATOM 622 CD2 HIS A 207 35.146 13.059 -1.533 1.00 60.22 C ATOM 623 CE1 HIS A 207 34.538 11.121 -2.358 1.00 34.32 C ATOM 624 NE2 HIS A 207 35.569 11.803 -1.892 1.00 74.52 N ATOM 0 H HIS A 207 33.219 14.656 0.834 1.00 72.45 H new ATOM 0 HA HIS A 207 34.408 15.709 -1.582 1.00 32.23 H new ATOM 0 HB2 HIS A 207 32.054 13.915 -0.923 1.00 63.51 H new ATOM 0 HB3 HIS A 207 32.361 14.461 -2.560 1.00 63.51 H new ATOM 0 HD2 HIS A 207 35.758 13.847 -1.119 1.00 60.22 H new ATOM 0 HE1 HIS A 207 34.564 10.103 -2.717 1.00 34.32 H new ATOM 0 HE2 HIS A 207 36.524 11.453 -1.812 1.00 74.52 H new ATOM 631 N GLN A 208 32.283 17.002 -2.572 1.00 74.34 N ATOM 632 CA GLN A 208 31.409 18.110 -2.938 1.00 75.03 C ATOM 633 C GLN A 208 29.976 17.629 -3.141 1.00 55.04 C ATOM 634 O GLN A 208 29.744 16.528 -3.640 1.00 62.51 O ATOM 635 CB GLN A 208 31.916 18.789 -4.211 1.00 64.15 C ATOM 636 CG GLN A 208 32.249 20.261 -4.025 1.00 71.51 C ATOM 637 CD GLN A 208 33.452 20.695 -4.839 1.00 73.32 C ATOM 638 OE1 GLN A 208 33.379 20.809 -6.063 1.00 51.40 O ATOM 639 NE2 GLN A 208 34.568 20.939 -4.163 1.00 12.45 N ATOM 0 H GLN A 208 32.669 16.489 -3.365 1.00 74.34 H new ATOM 0 HA GLN A 208 31.419 18.832 -2.121 1.00 75.03 H new ATOM 0 HB2 GLN A 208 32.805 18.266 -4.562 1.00 64.15 H new ATOM 0 HB3 GLN A 208 31.160 18.692 -4.990 1.00 64.15 H new ATOM 0 HG2 GLN A 208 31.386 20.863 -4.309 1.00 71.51 H new ATOM 0 HG3 GLN A 208 32.440 20.456 -2.970 1.00 71.51 H new ATOM 0 HE21 GLN A 208 34.584 20.832 -3.149 1.00 12.45 H new ATOM 0 HE22 GLN A 208 35.410 21.234 -4.658 1.00 12.45 H new ATOM 648 N VAL A 209 29.016 18.462 -2.751 1.00 51.12 N ATOM 649 CA VAL A 209 27.605 18.122 -2.891 1.00 0.21 C ATOM 650 C VAL A 209 26.754 19.373 -3.076 1.00 41.55 C ATOM 651 O VAL A 209 27.276 20.484 -3.163 1.00 4.40 O ATOM 652 CB VAL A 209 27.092 17.343 -1.666 1.00 35.52 C ATOM 653 CG1 VAL A 209 27.812 16.009 -1.541 1.00 74.54 C ATOM 654 CG2 VAL A 209 27.260 18.169 -0.400 1.00 22.11 C ATOM 0 H VAL A 209 29.190 19.377 -2.336 1.00 51.12 H new ATOM 0 HA VAL A 209 27.517 17.492 -3.776 1.00 0.21 H new ATOM 0 HB VAL A 209 26.029 17.144 -1.804 1.00 35.52 H new ATOM 0 HG11 VAL A 209 27.436 15.473 -0.670 1.00 74.54 H new ATOM 0 HG12 VAL A 209 27.635 15.414 -2.437 1.00 74.54 H new ATOM 0 HG13 VAL A 209 28.882 16.182 -1.426 1.00 74.54 H new ATOM 0 HG21 VAL A 209 26.892 17.603 0.456 1.00 22.11 H new ATOM 0 HG22 VAL A 209 28.315 18.402 -0.255 1.00 22.11 H new ATOM 0 HG23 VAL A 209 26.694 19.096 -0.492 1.00 22.11 H new ATOM 664 N ALA A 210 25.440 19.185 -3.136 1.00 51.14 N ATOM 665 CA ALA A 210 24.516 20.299 -3.309 1.00 74.13 C ATOM 666 C ALA A 210 23.280 20.128 -2.432 1.00 1.31 C ATOM 667 O ALA A 210 23.232 19.245 -1.576 1.00 41.32 O ATOM 668 CB ALA A 210 24.114 20.429 -4.771 1.00 35.01 C ATOM 0 H ALA A 210 24.991 18.272 -3.067 1.00 51.14 H new ATOM 0 HA ALA A 210 25.025 21.212 -3.001 1.00 74.13 H new ATOM 0 HB1 ALA A 210 23.424 21.265 -4.886 1.00 35.01 H new ATOM 0 HB2 ALA A 210 25.002 20.606 -5.378 1.00 35.01 H new ATOM 0 HB3 ALA A 210 23.628 19.510 -5.098 1.00 35.01 H new