USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot 160:sc= -1.39 USER MOD Set 1.2: A 214 ASN :FLIP amide:sc= 1.19 F(o=0.11,f=2) USER MOD Set 1.3: A 239 CYS SG : rot -83:sc= 1.03 USER MOD Set 1.4: A 242 CYS SG : rot -126:sc= 1.21 USER MOD Set 2.1: A 206 TYR OH : rot 179:sc= 0.136 USER MOD Set 2.2: A 209 MET CE :methyl -165:sc= -0.0154 (180deg=-0.599) USER MOD Set 3.1: A 203 GLN : amide:sc= -2.4 K(o=-4.4,f=-5!) USER MOD Set 3.2: A 223 HIS : no HD1:sc= -2.04 X(o=-4.4,f=-4.2) USER MOD Set 4.1: A 197 THR OG1 : rot 138:sc= 0.0106 USER MOD Set 4.2: A 202 HIS : no HD1:sc= 0.0159 X(o=0.026,f=0) USER MOD Set 5.1: A 199 CYS SG : rot -167:sc= 0.55 USER MOD Set 5.2: A 201 CYS SG : rot 116:sc= 0.129 USER MOD Set 5.3: A 226 CYS SG : rot 131:sc= 0.838 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 120:sc= 0.935 USER MOD Single : A 218 SER OG : rot -45:sc= 0.157 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00419) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0 X(o=0,f=0.012) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 8.262 15.468 7.778 1.00 0.00 N ATOM 135 CA PRO A 196 7.752 16.522 8.651 1.00 0.00 C ATOM 136 C PRO A 196 6.730 17.418 7.937 1.00 0.00 C ATOM 137 O PRO A 196 6.747 17.554 6.712 1.00 0.00 O ATOM 138 CB PRO A 196 8.983 17.314 9.105 1.00 0.00 C ATOM 139 CG PRO A 196 9.971 17.118 7.957 1.00 0.00 C ATOM 140 CD PRO A 196 9.672 15.695 7.491 1.00 0.00 C ATOM 0 HA PRO A 196 7.213 16.102 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 196 8.749 18.367 9.259 1.00 0.00 H new ATOM 0 HB3 PRO A 196 9.380 16.935 10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 196 9.815 17.845 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.003 17.226 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 196 9.877 15.582 6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 196 10.298 14.973 8.015 1.00 0.00 H new ATOM 148 N THR A 197 5.847 18.041 8.728 1.00 0.00 N ATOM 149 CA THR A 197 4.727 18.848 8.260 1.00 0.00 C ATOM 150 C THR A 197 4.493 20.034 9.205 1.00 0.00 C ATOM 151 O THR A 197 5.131 20.149 10.253 1.00 0.00 O ATOM 152 CB THR A 197 3.444 17.993 8.151 1.00 0.00 C ATOM 153 OG1 THR A 197 3.053 17.496 9.418 1.00 0.00 O ATOM 154 CG2 THR A 197 3.560 16.820 7.170 1.00 0.00 C ATOM 0 H THR A 197 5.900 17.992 9.745 1.00 0.00 H new ATOM 0 HA THR A 197 4.972 19.230 7.269 1.00 0.00 H new ATOM 0 HB THR A 197 2.686 18.671 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 197 2.081 17.573 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 197 2.620 16.268 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 197 3.779 17.200 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 197 4.363 16.156 7.490 1.00 0.00 H new ATOM 162 N TYR A 198 3.550 20.903 8.820 1.00 0.00 N ATOM 163 CA TYR A 198 3.307 22.190 9.471 1.00 0.00 C ATOM 164 C TYR A 198 1.819 22.470 9.724 1.00 0.00 C ATOM 165 O TYR A 198 1.391 22.259 10.852 1.00 0.00 O ATOM 166 CB TYR A 198 3.973 23.285 8.640 1.00 0.00 C ATOM 167 CG TYR A 198 5.491 23.222 8.642 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.200 23.528 9.819 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.192 22.849 7.478 1.00 0.00 C ATOM 170 CE1 TYR A 198 7.604 23.485 9.837 1.00 0.00 C ATOM 171 CE2 TYR A 198 7.597 22.798 7.490 1.00 0.00 C ATOM 172 CZ TYR A 198 8.310 23.121 8.668 1.00 0.00 C ATOM 173 OH TYR A 198 9.672 23.077 8.677 1.00 0.00 O ATOM 0 H TYR A 198 2.925 20.725 8.033 1.00 0.00 H new ATOM 0 HA TYR A 198 3.750 22.167 10.466 1.00 0.00 H new ATOM 0 HB2 TYR A 198 3.618 23.214 7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 198 3.659 24.257 9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 198 5.661 23.798 10.715 1.00 0.00 H new ATOM 0 HD2 TYR A 198 5.650 22.602 6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.142 23.729 10.741 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.133 22.511 6.597 1.00 0.00 H new ATOM 0 HH TYR A 198 9.996 22.807 7.792 1.00 0.00 H new ATOM 183 N CYS A 199 1.047 22.945 8.724 1.00 0.00 N ATOM 184 CA CYS A 199 -0.368 23.314 8.853 1.00 0.00 C ATOM 185 C CYS A 199 -1.238 22.183 9.418 1.00 0.00 C ATOM 186 O CYS A 199 -0.831 21.022 9.452 1.00 0.00 O ATOM 187 CB CYS A 199 -0.954 23.931 7.555 1.00 0.00 C ATOM 188 SG CYS A 199 -2.335 25.041 7.984 1.00 0.00 S ATOM 0 H CYS A 199 1.407 23.084 7.780 1.00 0.00 H new ATOM 0 HA CYS A 199 -0.394 24.108 9.600 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.181 24.483 7.020 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -1.301 23.142 6.888 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.995 25.349 6.907 1.00 0.00 H new ATOM 193 N LEU A 200 -2.471 22.536 9.810 1.00 0.00 N ATOM 194 CA LEU A 200 -3.526 21.583 10.171 1.00 0.00 C ATOM 195 C LEU A 200 -3.893 20.636 9.014 1.00 0.00 C ATOM 196 O LEU A 200 -4.593 19.647 9.220 1.00 0.00 O ATOM 197 CB LEU A 200 -4.741 22.327 10.759 1.00 0.00 C ATOM 198 CG LEU A 200 -5.473 23.251 9.763 1.00 0.00 C ATOM 199 CD1 LEU A 200 -6.572 22.535 8.960 1.00 0.00 C ATOM 200 CD2 LEU A 200 -6.120 24.436 10.497 1.00 0.00 C ATOM 0 H LEU A 200 -2.766 23.509 9.886 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.137 20.928 10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -5.450 21.593 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -4.409 22.922 11.610 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.707 23.591 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -7.045 23.243 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -6.131 21.720 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -7.320 22.134 9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.631 25.075 9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.840 24.063 11.226 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.349 25.011 11.010 1.00 0.00 H new ATOM 212 N CYS A 201 -3.394 20.943 7.810 1.00 0.00 N ATOM 213 CA CYS A 201 -3.469 20.128 6.608 1.00 0.00 C ATOM 214 C CYS A 201 -2.515 18.925 6.641 1.00 0.00 C ATOM 215 O CYS A 201 -2.738 17.950 5.926 1.00 0.00 O ATOM 216 CB CYS A 201 -3.011 21.014 5.457 1.00 0.00 C ATOM 217 SG CYS A 201 -4.080 22.457 5.214 1.00 0.00 S ATOM 0 H CYS A 201 -2.900 21.820 7.648 1.00 0.00 H new ATOM 0 HA CYS A 201 -4.488 19.752 6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.992 21.350 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.987 20.426 4.539 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.402 23.543 5.442 1.00 0.00 H new ATOM 223 N HIS A 202 -1.445 19.031 7.441 1.00 0.00 N ATOM 224 CA HIS A 202 -0.300 18.133 7.507 1.00 0.00 C ATOM 225 C HIS A 202 0.358 17.943 6.136 1.00 0.00 C ATOM 226 O HIS A 202 0.301 16.868 5.539 1.00 0.00 O ATOM 227 CB HIS A 202 -0.641 16.846 8.272 1.00 0.00 C ATOM 228 CG HIS A 202 -0.976 17.137 9.713 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.071 17.305 10.736 1.00 0.00 N ATOM 230 CD2 HIS A 202 -2.219 17.393 10.230 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.758 17.651 11.839 1.00 0.00 C ATOM 232 NE2 HIS A 202 -2.075 17.718 11.583 1.00 0.00 N ATOM 0 H HIS A 202 -1.358 19.803 8.102 1.00 0.00 H new ATOM 0 HA HIS A 202 0.483 18.600 8.104 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -1.485 16.349 7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.203 16.158 8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -3.151 17.351 9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -0.311 17.849 12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -2.818 17.957 12.240 1.00 0.00 H new ATOM 240 N GLN A 203 0.999 19.025 5.668 1.00 0.00 N ATOM 241 CA GLN A 203 1.820 19.076 4.467 1.00 0.00 C ATOM 242 C GLN A 203 3.202 19.688 4.749 1.00 0.00 C ATOM 243 O GLN A 203 3.403 20.366 5.758 1.00 0.00 O ATOM 244 CB GLN A 203 1.060 19.788 3.328 1.00 0.00 C ATOM 245 CG GLN A 203 1.140 21.328 3.287 1.00 0.00 C ATOM 246 CD GLN A 203 0.470 22.051 4.453 1.00 0.00 C ATOM 247 OE1 GLN A 203 -0.610 22.619 4.303 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.119 22.118 5.612 1.00 0.00 N ATOM 0 H GLN A 203 0.951 19.925 6.145 1.00 0.00 H new ATOM 0 HA GLN A 203 2.015 18.057 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.435 19.404 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.009 19.505 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.190 21.619 3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.686 21.674 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.014 21.642 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.721 22.645 6.389 1.00 0.00 H new ATOM 257 N VAL A 204 4.145 19.447 3.830 1.00 0.00 N ATOM 258 CA VAL A 204 5.552 19.858 3.908 1.00 0.00 C ATOM 259 C VAL A 204 5.710 21.389 3.750 1.00 0.00 C ATOM 260 O VAL A 204 4.728 22.120 3.619 1.00 0.00 O ATOM 261 CB VAL A 204 6.405 19.081 2.856 1.00 0.00 C ATOM 262 CG1 VAL A 204 7.803 18.741 3.408 1.00 0.00 C ATOM 263 CG2 VAL A 204 5.792 17.752 2.370 1.00 0.00 C ATOM 0 H VAL A 204 3.938 18.936 2.972 1.00 0.00 H new ATOM 0 HA VAL A 204 5.923 19.604 4.901 1.00 0.00 H new ATOM 0 HB VAL A 204 6.448 19.770 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 204 8.371 18.200 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.326 19.662 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 204 7.702 18.120 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 204 6.458 17.288 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 204 5.658 17.081 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 204 4.825 17.946 1.905 1.00 0.00 H new ATOM 273 N SER A 205 6.968 21.856 3.764 1.00 0.00 N ATOM 274 CA SER A 205 7.424 23.240 3.593 1.00 0.00 C ATOM 275 C SER A 205 6.736 24.001 2.448 1.00 0.00 C ATOM 276 O SER A 205 6.327 23.423 1.441 1.00 0.00 O ATOM 277 CB SER A 205 8.942 23.248 3.369 1.00 0.00 C ATOM 278 OG SER A 205 9.622 22.617 4.435 1.00 0.00 O ATOM 0 H SER A 205 7.754 21.222 3.907 1.00 0.00 H new ATOM 0 HA SER A 205 7.151 23.764 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.176 22.740 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.292 24.276 3.269 1.00 0.00 H new ATOM 0 HG SER A 205 10.587 22.636 4.264 1.00 0.00 H new ATOM 284 N TYR A 206 6.633 25.324 2.631 1.00 0.00 N ATOM 285 CA TYR A 206 5.842 26.246 1.817 1.00 0.00 C ATOM 286 C TYR A 206 6.372 27.684 1.960 1.00 0.00 C ATOM 287 O TYR A 206 7.226 27.959 2.804 1.00 0.00 O ATOM 288 CB TYR A 206 4.358 26.153 2.229 1.00 0.00 C ATOM 289 CG TYR A 206 4.059 26.416 3.698 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.407 25.453 4.666 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.419 27.605 4.105 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.167 25.685 6.025 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.104 27.798 5.462 1.00 0.00 C ATOM 294 CZ TYR A 206 3.480 26.842 6.428 1.00 0.00 C ATOM 295 OH TYR A 206 3.174 27.024 7.740 1.00 0.00 O ATOM 0 H TYR A 206 7.124 25.800 3.388 1.00 0.00 H new ATOM 0 HA TYR A 206 5.930 25.967 0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.789 26.864 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.992 25.158 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 206 4.864 24.525 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.172 28.364 3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 206 4.510 24.975 6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.570 28.686 5.767 1.00 0.00 H new ATOM 0 HH TYR A 206 2.714 27.882 7.853 1.00 0.00 H new ATOM 305 N GLY A 207 5.868 28.596 1.115 1.00 0.00 N ATOM 306 CA GLY A 207 6.404 29.946 0.970 1.00 0.00 C ATOM 307 C GLY A 207 5.970 30.889 2.093 1.00 0.00 C ATOM 308 O GLY A 207 6.811 31.314 2.885 1.00 0.00 O ATOM 0 H GLY A 207 5.069 28.409 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.493 29.897 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.082 30.357 0.014 1.00 0.00 H new ATOM 312 N GLU A 208 4.668 31.206 2.168 1.00 0.00 N ATOM 313 CA GLU A 208 4.129 32.200 3.090 1.00 0.00 C ATOM 314 C GLU A 208 3.500 31.523 4.310 1.00 0.00 C ATOM 315 O GLU A 208 2.599 30.694 4.176 1.00 0.00 O ATOM 316 CB GLU A 208 3.171 33.129 2.338 1.00 0.00 C ATOM 317 CG GLU A 208 1.907 32.484 1.732 1.00 0.00 C ATOM 318 CD GLU A 208 1.001 33.480 0.998 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.507 34.533 0.553 1.00 0.00 O ATOM 320 OE2 GLU A 208 -0.205 33.163 0.891 1.00 0.00 O ATOM 0 H GLU A 208 3.957 30.770 1.580 1.00 0.00 H new ATOM 0 HA GLU A 208 4.933 32.823 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.855 33.917 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.726 33.610 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.207 31.699 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.337 32.005 2.528 1.00 0.00 H new ATOM 327 N MET A 209 3.995 31.876 5.504 1.00 0.00 N ATOM 328 CA MET A 209 3.697 31.144 6.733 1.00 0.00 C ATOM 329 C MET A 209 3.571 32.056 7.953 1.00 0.00 C ATOM 330 O MET A 209 4.318 33.025 8.102 1.00 0.00 O ATOM 331 CB MET A 209 4.831 30.135 7.055 1.00 0.00 C ATOM 332 CG MET A 209 5.717 29.621 5.905 1.00 0.00 C ATOM 333 SD MET A 209 6.651 28.076 6.179 1.00 0.00 S ATOM 334 CE MET A 209 6.814 27.955 7.984 1.00 0.00 C ATOM 0 H MET A 209 4.612 32.677 5.640 1.00 0.00 H new ATOM 0 HA MET A 209 2.746 30.645 6.549 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.485 30.599 7.793 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.375 29.268 7.533 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.082 29.479 5.030 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.432 30.405 5.656 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.576 27.216 8.232 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.103 28.925 8.389 1.00 0.00 H new ATOM 0 HE3 MET A 209 5.860 27.651 8.416 1.00 0.00 H new ATOM 344 N ILE A 210 2.681 31.656 8.868 1.00 0.00 N ATOM 345 CA ILE A 210 2.542 32.225 10.208 1.00 0.00 C ATOM 346 C ILE A 210 2.182 31.124 11.207 1.00 0.00 C ATOM 347 O ILE A 210 1.595 30.114 10.835 1.00 0.00 O ATOM 348 CB ILE A 210 1.513 33.370 10.192 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.541 34.152 11.521 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.092 32.885 9.841 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.976 35.566 11.384 1.00 0.00 C ATOM 0 H ILE A 210 2.017 30.903 8.688 1.00 0.00 H new ATOM 0 HA ILE A 210 3.491 32.654 10.529 1.00 0.00 H new ATOM 0 HB ILE A 210 1.804 34.053 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.968 33.607 12.271 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.567 34.209 11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.593 33.733 9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.098 32.427 8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.235 32.152 10.579 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.020 36.071 12.349 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.564 36.124 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.060 35.513 11.049 1.00 0.00 H new ATOM 363 N GLY A 211 2.530 31.324 12.480 1.00 0.00 N ATOM 364 CA GLY A 211 2.453 30.303 13.514 1.00 0.00 C ATOM 365 C GLY A 211 1.791 30.823 14.780 1.00 0.00 C ATOM 366 O GLY A 211 1.934 32.000 15.117 1.00 0.00 O ATOM 0 H GLY A 211 2.879 32.219 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 211 1.893 29.447 13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.457 29.949 13.749 1.00 0.00 H new ATOM 370 N CYS A 212 1.043 29.937 15.457 1.00 0.00 N ATOM 371 CA CYS A 212 0.243 30.349 16.613 1.00 0.00 C ATOM 372 C CYS A 212 1.140 30.702 17.797 1.00 0.00 C ATOM 373 O CYS A 212 2.156 30.058 18.060 1.00 0.00 O ATOM 374 CB CYS A 212 -0.847 29.354 17.046 1.00 0.00 C ATOM 375 SG CYS A 212 -2.148 30.268 17.941 1.00 0.00 S ATOM 0 H CYS A 212 0.978 28.946 15.226 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.296 31.233 16.273 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -1.268 28.852 16.175 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.421 28.580 17.685 1.00 0.00 H new ATOM 0 HG CYS A 212 -3.245 29.571 17.943 1.00 0.00 H new ATOM 380 N ASP A 213 0.695 31.732 18.511 1.00 0.00 N ATOM 381 CA ASP A 213 1.391 32.373 19.622 1.00 0.00 C ATOM 382 C ASP A 213 1.297 31.586 20.945 1.00 0.00 C ATOM 383 O ASP A 213 1.923 31.980 21.929 1.00 0.00 O ATOM 384 CB ASP A 213 0.809 33.790 19.769 1.00 0.00 C ATOM 385 CG ASP A 213 1.625 34.688 20.700 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.742 35.068 20.286 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.102 35.016 21.788 1.00 0.00 O ATOM 0 H ASP A 213 -0.209 32.165 18.320 1.00 0.00 H new ATOM 0 HA ASP A 213 2.457 32.406 19.398 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.752 34.255 18.785 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.211 33.719 20.147 1.00 0.00 H new ATOM 392 N ASN A 214 0.524 30.489 20.992 1.00 0.00 N ATOM 393 CA ASN A 214 0.199 29.816 22.247 1.00 0.00 C ATOM 394 C ASN A 214 1.347 28.900 22.701 1.00 0.00 C ATOM 395 O ASN A 214 1.941 28.224 21.858 1.00 0.00 O ATOM 396 CB ASN A 214 -1.067 28.953 22.098 1.00 0.00 C ATOM 397 CG ASN A 214 -2.273 29.658 21.487 1.00 0.00 C ATOM 398 OD1 ASN A 214 -3.156 28.877 20.866 1.00 0.00 O flip ATOM 399 ND2 ASN A 214 -2.413 30.873 21.559 1.00 0.00 N flip ATOM 0 H ASN A 214 0.113 30.052 20.167 1.00 0.00 H new ATOM 0 HA ASN A 214 0.034 30.597 22.989 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.825 28.086 21.483 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.348 28.577 23.082 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -1.716 31.439 22.043 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -3.227 31.319 21.135 1.00 0.00 H new ATOM 406 N PRO A 215 1.597 28.780 24.021 1.00 0.00 N ATOM 407 CA PRO A 215 2.489 27.769 24.586 1.00 0.00 C ATOM 408 C PRO A 215 1.838 26.367 24.608 1.00 0.00 C ATOM 409 O PRO A 215 2.437 25.429 25.132 1.00 0.00 O ATOM 410 CB PRO A 215 2.806 28.279 25.996 1.00 0.00 C ATOM 411 CG PRO A 215 1.518 28.989 26.404 1.00 0.00 C ATOM 412 CD PRO A 215 1.009 29.580 25.089 1.00 0.00 C ATOM 0 HA PRO A 215 3.391 27.641 23.987 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.049 27.462 26.675 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.659 28.958 25.997 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.798 28.296 26.839 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.704 29.764 27.148 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.080 29.547 25.044 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.300 30.626 24.995 1.00 0.00 H new ATOM 420 N ASP A 216 0.628 26.228 24.038 1.00 0.00 N ATOM 421 CA ASP A 216 -0.206 25.027 24.063 1.00 0.00 C ATOM 422 C ASP A 216 -0.562 24.532 22.650 1.00 0.00 C ATOM 423 O ASP A 216 -1.154 23.461 22.517 1.00 0.00 O ATOM 424 CB ASP A 216 -1.496 25.324 24.845 1.00 0.00 C ATOM 425 CG ASP A 216 -1.239 25.939 26.222 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.731 25.202 27.095 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.557 27.139 26.374 1.00 0.00 O ATOM 0 H ASP A 216 0.189 26.992 23.523 1.00 0.00 H new ATOM 0 HA ASP A 216 0.365 24.236 24.550 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -2.118 26.003 24.262 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -2.060 24.399 24.967 1.00 0.00 H new ATOM 432 N CYS A 217 -0.210 25.290 21.598 1.00 0.00 N ATOM 433 CA CYS A 217 -0.382 24.897 20.215 1.00 0.00 C ATOM 434 C CYS A 217 0.507 23.688 19.905 1.00 0.00 C ATOM 435 O CYS A 217 1.678 23.645 20.281 1.00 0.00 O ATOM 436 CB CYS A 217 -0.082 26.093 19.303 1.00 0.00 C ATOM 437 SG CYS A 217 -0.516 25.718 17.587 1.00 0.00 S ATOM 0 H CYS A 217 0.211 26.213 21.703 1.00 0.00 H new ATOM 0 HA CYS A 217 -1.413 24.595 20.033 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.642 26.964 19.642 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.976 26.349 19.368 1.00 0.00 H new ATOM 0 HG CYS A 217 -1.417 26.559 17.174 1.00 0.00 H new ATOM 443 N SER A 218 -0.080 22.728 19.186 1.00 0.00 N ATOM 444 CA SER A 218 0.513 21.436 18.835 1.00 0.00 C ATOM 445 C SER A 218 0.626 21.270 17.307 1.00 0.00 C ATOM 446 O SER A 218 0.944 20.188 16.817 1.00 0.00 O ATOM 447 CB SER A 218 -0.318 20.332 19.506 1.00 0.00 C ATOM 448 OG SER A 218 0.350 19.088 19.481 1.00 0.00 O ATOM 0 H SER A 218 -1.024 22.836 18.816 1.00 0.00 H new ATOM 0 HA SER A 218 1.536 21.370 19.204 1.00 0.00 H new ATOM 0 HB2 SER A 218 -0.529 20.611 20.538 1.00 0.00 H new ATOM 0 HB3 SER A 218 -1.278 20.240 18.999 1.00 0.00 H new ATOM 0 HG SER A 218 0.725 18.936 18.588 1.00 0.00 H new ATOM 454 N ILE A 219 0.395 22.365 16.567 1.00 0.00 N ATOM 455 CA ILE A 219 0.526 22.469 15.114 1.00 0.00 C ATOM 456 C ILE A 219 1.599 23.524 14.774 1.00 0.00 C ATOM 457 O ILE A 219 2.332 23.333 13.806 1.00 0.00 O ATOM 458 CB ILE A 219 -0.851 22.801 14.480 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.997 21.847 14.898 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.783 22.866 12.944 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.835 20.381 14.468 1.00 0.00 C ATOM 0 H ILE A 219 0.097 23.243 16.991 1.00 0.00 H new ATOM 0 HA ILE A 219 0.850 21.517 14.694 1.00 0.00 H new ATOM 0 HB ILE A 219 -1.091 23.786 14.880 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -2.094 21.879 15.983 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.931 22.227 14.483 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.770 23.101 12.546 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.077 23.640 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.454 21.903 12.553 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -2.693 19.804 14.813 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -1.773 20.325 13.381 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -0.924 19.972 14.905 1.00 0.00 H new ATOM 473 N GLU A 220 1.714 24.570 15.618 1.00 0.00 N ATOM 474 CA GLU A 220 2.659 25.697 15.659 1.00 0.00 C ATOM 475 C GLU A 220 2.909 26.519 14.383 1.00 0.00 C ATOM 476 O GLU A 220 3.449 27.615 14.501 1.00 0.00 O ATOM 477 CB GLU A 220 3.978 25.285 16.342 1.00 0.00 C ATOM 478 CG GLU A 220 4.814 24.282 15.531 1.00 0.00 C ATOM 479 CD GLU A 220 6.265 24.241 16.010 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.498 23.638 17.080 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.118 24.815 15.296 1.00 0.00 O ATOM 0 H GLU A 220 1.053 24.650 16.391 1.00 0.00 H new ATOM 0 HA GLU A 220 2.112 26.422 16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.576 26.178 16.523 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.751 24.850 17.315 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.374 23.288 15.616 1.00 0.00 H new ATOM 0 HG3 GLU A 220 4.786 24.554 14.476 1.00 0.00 H new ATOM 488 N TRP A 221 2.495 26.057 13.200 1.00 0.00 N ATOM 489 CA TRP A 221 2.619 26.742 11.931 1.00 0.00 C ATOM 490 C TRP A 221 1.392 26.482 11.066 1.00 0.00 C ATOM 491 O TRP A 221 0.742 25.448 11.178 1.00 0.00 O ATOM 492 CB TRP A 221 3.848 26.205 11.208 1.00 0.00 C ATOM 493 CG TRP A 221 5.150 26.794 11.616 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.122 26.160 12.305 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.657 28.132 11.340 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.205 26.994 12.447 1.00 0.00 N ATOM 497 CE2 TRP A 221 6.991 28.212 11.833 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.134 29.276 10.698 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.785 29.351 11.646 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.909 30.442 10.551 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.237 30.476 11.009 1.00 0.00 C ATOM 0 H TRP A 221 2.042 25.148 13.108 1.00 0.00 H new ATOM 0 HA TRP A 221 2.710 27.814 12.109 1.00 0.00 H new ATOM 0 HB2 TRP A 221 3.894 25.127 11.363 1.00 0.00 H new ATOM 0 HB3 TRP A 221 3.717 26.368 10.138 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.058 25.152 12.686 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.060 26.744 12.944 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.125 29.256 10.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.809 29.364 11.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.480 31.316 10.083 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.835 31.365 10.871 1.00 0.00 H new ATOM 512 N PHE A 222 1.097 27.446 10.192 1.00 0.00 N ATOM 513 CA PHE A 222 -0.103 27.507 9.374 1.00 0.00 C ATOM 514 C PHE A 222 0.172 28.315 8.108 1.00 0.00 C ATOM 515 O PHE A 222 1.026 29.203 8.086 1.00 0.00 O ATOM 516 CB PHE A 222 -1.250 28.181 10.151 1.00 0.00 C ATOM 517 CG PHE A 222 -1.634 27.496 11.449 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.935 27.797 12.635 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.658 26.530 11.468 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.234 27.116 13.824 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.981 25.874 12.668 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.273 26.172 13.843 1.00 0.00 C ATOM 0 H PHE A 222 1.720 28.238 10.032 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.391 26.489 9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.964 29.210 10.371 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -2.128 28.225 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -0.166 28.555 12.628 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.195 26.293 10.561 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.667 27.317 14.721 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.774 25.141 12.686 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.529 25.673 14.766 1.00 0.00 H new ATOM 532 N HIS A 223 -0.605 28.032 7.059 1.00 0.00 N ATOM 533 CA HIS A 223 -0.605 28.842 5.849 1.00 0.00 C ATOM 534 C HIS A 223 -1.409 30.110 6.100 1.00 0.00 C ATOM 535 O HIS A 223 -2.389 30.104 6.847 1.00 0.00 O ATOM 536 CB HIS A 223 -1.183 28.069 4.647 1.00 0.00 C ATOM 537 CG HIS A 223 -0.470 26.799 4.231 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.676 26.134 3.019 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.532 26.160 4.900 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.282 25.199 2.939 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.007 25.176 4.069 1.00 0.00 N ATOM 0 H HIS A 223 -1.246 27.239 7.029 1.00 0.00 H new ATOM 0 HA HIS A 223 0.425 29.098 5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.218 27.816 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.201 28.742 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.885 26.385 5.895 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.447 24.556 2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.776 24.539 4.274 1.00 0.00 H new ATOM 549 N PHE A 224 -0.999 31.184 5.419 1.00 0.00 N ATOM 550 CA PHE A 224 -1.797 32.408 5.337 1.00 0.00 C ATOM 551 C PHE A 224 -3.206 32.074 4.866 1.00 0.00 C ATOM 552 O PHE A 224 -4.173 32.419 5.531 1.00 0.00 O ATOM 553 CB PHE A 224 -1.173 33.417 4.359 1.00 0.00 C ATOM 554 CG PHE A 224 0.056 34.193 4.790 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.745 33.911 5.986 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.529 35.211 3.938 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.935 34.592 6.280 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.728 35.882 4.231 1.00 0.00 C ATOM 559 CZ PHE A 224 2.456 35.530 5.378 1.00 0.00 C ATOM 0 H PHE A 224 -0.114 31.229 4.914 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.826 32.854 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.918 32.877 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.944 34.141 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.358 33.173 6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.033 35.477 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.453 34.393 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.087 36.664 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.419 35.982 5.566 1.00 0.00 H new ATOM 569 N ALA A 225 -3.314 31.343 3.759 1.00 0.00 N ATOM 570 CA ALA A 225 -4.585 30.997 3.155 1.00 0.00 C ATOM 571 C ALA A 225 -5.378 29.959 3.963 1.00 0.00 C ATOM 572 O ALA A 225 -6.572 29.806 3.705 1.00 0.00 O ATOM 573 CB ALA A 225 -4.341 30.510 1.724 1.00 0.00 C ATOM 0 H ALA A 225 -2.508 30.973 3.255 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.203 31.895 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.293 30.247 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.863 31.302 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.693 29.634 1.743 1.00 0.00 H new ATOM 579 N CYS A 226 -4.769 29.275 4.952 1.00 0.00 N ATOM 580 CA CYS A 226 -5.476 28.399 5.861 1.00 0.00 C ATOM 581 C CYS A 226 -6.223 29.169 6.965 1.00 0.00 C ATOM 582 O CYS A 226 -6.990 28.550 7.698 1.00 0.00 O ATOM 583 CB CYS A 226 -4.447 27.434 6.439 1.00 0.00 C ATOM 584 SG CYS A 226 -4.244 26.007 5.332 1.00 0.00 S ATOM 0 H CYS A 226 -3.766 29.326 5.130 1.00 0.00 H new ATOM 0 HA CYS A 226 -6.254 27.857 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.492 27.943 6.569 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.766 27.097 7.425 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.979 25.802 5.116 1.00 0.00 H new ATOM 590 N VAL A 227 -6.047 30.500 7.049 1.00 0.00 N ATOM 591 CA VAL A 227 -6.827 31.413 7.887 1.00 0.00 C ATOM 592 C VAL A 227 -7.513 32.515 7.064 1.00 0.00 C ATOM 593 O VAL A 227 -8.449 33.154 7.541 1.00 0.00 O ATOM 594 CB VAL A 227 -5.940 31.968 9.025 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.929 33.033 8.572 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.773 32.523 10.191 1.00 0.00 C ATOM 0 H VAL A 227 -5.327 30.983 6.511 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.642 30.854 8.346 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.370 31.103 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.347 33.370 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.260 32.605 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.462 33.880 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.107 32.902 10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.408 33.332 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.396 31.729 10.604 1.00 0.00 H new ATOM 606 N GLY A 228 -7.052 32.709 5.824 1.00 0.00 N ATOM 607 CA GLY A 228 -7.555 33.691 4.872 1.00 0.00 C ATOM 608 C GLY A 228 -6.702 34.963 4.791 1.00 0.00 C ATOM 609 O GLY A 228 -7.203 35.978 4.309 1.00 0.00 O ATOM 0 H GLY A 228 -6.282 32.158 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.605 33.234 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.573 33.964 5.149 1.00 0.00 H new ATOM 613 N LEU A 229 -5.445 34.937 5.269 1.00 0.00 N ATOM 614 CA LEU A 229 -4.534 36.073 5.189 1.00 0.00 C ATOM 615 C LEU A 229 -4.069 36.308 3.745 1.00 0.00 C ATOM 616 O LEU A 229 -4.079 35.401 2.912 1.00 0.00 O ATOM 617 CB LEU A 229 -3.323 35.878 6.125 1.00 0.00 C ATOM 618 CG LEU A 229 -3.551 36.296 7.591 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.353 35.827 8.429 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.716 37.813 7.760 1.00 0.00 C ATOM 0 H LEU A 229 -5.039 34.119 5.723 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.079 36.958 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.034 34.827 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.482 36.447 5.728 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.479 35.831 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.501 36.116 9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.265 34.743 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.441 36.289 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.874 38.047 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.817 38.318 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.575 38.152 7.181 1.00 0.00 H new ATOM 632 N THR A 230 -3.629 37.546 3.488 1.00 0.00 N ATOM 633 CA THR A 230 -3.151 38.032 2.189 1.00 0.00 C ATOM 634 C THR A 230 -1.845 38.835 2.347 1.00 0.00 C ATOM 635 O THR A 230 -1.060 38.907 1.403 1.00 0.00 O ATOM 636 CB THR A 230 -4.265 38.874 1.531 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.429 38.090 1.358 1.00 0.00 O ATOM 638 CG2 THR A 230 -3.886 39.437 0.155 1.00 0.00 C ATOM 0 H THR A 230 -3.595 38.266 4.210 1.00 0.00 H new ATOM 0 HA THR A 230 -2.921 37.185 1.542 1.00 0.00 H new ATOM 0 HB THR A 230 -4.431 39.712 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.130 38.633 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.719 40.017 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.011 40.079 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.658 38.615 -0.524 1.00 0.00 H new ATOM 646 N THR A 231 -1.583 39.382 3.544 1.00 0.00 N ATOM 647 CA THR A 231 -0.354 40.081 3.917 1.00 0.00 C ATOM 648 C THR A 231 0.006 39.695 5.354 1.00 0.00 C ATOM 649 O THR A 231 -0.881 39.529 6.193 1.00 0.00 O ATOM 650 CB THR A 231 -0.523 41.612 3.809 1.00 0.00 C ATOM 651 OG1 THR A 231 -1.619 42.060 4.584 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.713 42.088 2.365 1.00 0.00 C ATOM 0 H THR A 231 -2.256 39.345 4.310 1.00 0.00 H new ATOM 0 HA THR A 231 0.443 39.790 3.233 1.00 0.00 H new ATOM 0 HB THR A 231 0.404 42.040 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.703 43.033 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.827 43.172 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.157 41.807 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 231 -1.605 41.624 1.943 1.00 0.00 H new ATOM 660 N LYS A 232 1.309 39.562 5.639 1.00 0.00 N ATOM 661 CA LYS A 232 1.798 39.119 6.941 1.00 0.00 C ATOM 662 C LYS A 232 1.554 40.206 8.011 1.00 0.00 C ATOM 663 O LYS A 232 2.004 41.336 7.819 1.00 0.00 O ATOM 664 CB LYS A 232 3.296 38.789 6.836 1.00 0.00 C ATOM 665 CG LYS A 232 3.753 37.915 8.017 1.00 0.00 C ATOM 666 CD LYS A 232 5.264 37.653 8.017 1.00 0.00 C ATOM 667 CE LYS A 232 6.051 38.933 8.320 1.00 0.00 C ATOM 668 NZ LYS A 232 7.502 38.676 8.369 1.00 0.00 N ATOM 0 H LYS A 232 2.051 39.760 4.968 1.00 0.00 H new ATOM 0 HA LYS A 232 1.254 38.224 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.493 38.270 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.875 39.712 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.474 38.401 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.224 36.962 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.503 36.892 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.567 37.258 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.839 39.681 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.721 39.347 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.005 39.563 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.706 37.980 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.820 38.304 7.451 1.00 0.00 H new ATOM 682 N PRO A 233 0.890 39.890 9.143 1.00 0.00 N ATOM 683 CA PRO A 233 0.767 40.787 10.292 1.00 0.00 C ATOM 684 C PRO A 233 2.075 40.830 11.112 1.00 0.00 C ATOM 685 O PRO A 233 3.097 40.269 10.710 1.00 0.00 O ATOM 686 CB PRO A 233 -0.418 40.221 11.088 1.00 0.00 C ATOM 687 CG PRO A 233 -0.287 38.720 10.861 1.00 0.00 C ATOM 688 CD PRO A 233 0.197 38.637 9.414 1.00 0.00 C ATOM 0 HA PRO A 233 0.594 41.824 10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.355 40.478 12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.371 40.604 10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.424 38.267 11.552 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.238 38.206 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.864 37.786 9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.641 38.500 8.731 1.00 0.00 H new ATOM 696 N ARG A 234 2.040 41.494 12.277 1.00 0.00 N ATOM 697 CA ARG A 234 3.145 41.577 13.219 1.00 0.00 C ATOM 698 C ARG A 234 2.574 41.570 14.637 1.00 0.00 C ATOM 699 O ARG A 234 1.552 42.196 14.922 1.00 0.00 O ATOM 700 CB ARG A 234 3.957 42.853 12.943 1.00 0.00 C ATOM 701 CG ARG A 234 5.282 42.958 13.716 1.00 0.00 C ATOM 702 CD ARG A 234 6.294 41.883 13.294 1.00 0.00 C ATOM 703 NE ARG A 234 7.597 42.070 13.953 1.00 0.00 N ATOM 704 CZ ARG A 234 8.574 42.901 13.556 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.441 43.687 12.484 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.713 42.948 14.248 1.00 0.00 N ATOM 0 H ARG A 234 1.212 42.001 12.591 1.00 0.00 H new ATOM 0 HA ARG A 234 3.816 40.725 13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.171 42.906 11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.341 43.718 13.188 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.716 43.945 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.084 42.867 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.900 40.897 13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.426 41.913 12.212 1.00 0.00 H new ATOM 0 HE ARG A 234 7.774 41.516 14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.578 43.667 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 234 9.202 44.307 12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.835 42.356 15.070 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.462 43.576 13.955 1.00 0.00 H new ATOM 720 N GLY A 235 3.264 40.832 15.506 1.00 0.00 N ATOM 721 CA GLY A 235 2.856 40.539 16.876 1.00 0.00 C ATOM 722 C GLY A 235 2.173 39.171 16.983 1.00 0.00 C ATOM 723 O GLY A 235 2.177 38.385 16.033 1.00 0.00 O ATOM 0 H GLY A 235 4.158 40.406 15.263 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.729 40.562 17.529 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.175 41.314 17.227 1.00 0.00 H new ATOM 727 N LYS A 236 1.584 38.898 18.157 1.00 0.00 N ATOM 728 CA LYS A 236 0.802 37.706 18.437 1.00 0.00 C ATOM 729 C LYS A 236 -0.371 37.575 17.467 1.00 0.00 C ATOM 730 O LYS A 236 -1.066 38.537 17.138 1.00 0.00 O ATOM 731 CB LYS A 236 0.343 37.687 19.906 1.00 0.00 C ATOM 732 CG LYS A 236 -0.576 38.843 20.333 1.00 0.00 C ATOM 733 CD LYS A 236 -0.932 38.710 21.822 1.00 0.00 C ATOM 734 CE LYS A 236 -1.923 39.787 22.277 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.333 41.139 22.241 1.00 0.00 N ATOM 0 H LYS A 236 1.647 39.528 18.957 1.00 0.00 H new ATOM 0 HA LYS A 236 1.439 36.835 18.284 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.176 36.747 20.093 1.00 0.00 H new ATOM 0 HB3 LYS A 236 1.227 37.696 20.544 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.081 39.797 20.153 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.485 38.837 19.731 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -1.359 37.724 22.005 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -0.023 38.779 22.419 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.805 39.760 21.637 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.258 39.565 23.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.033 41.832 22.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.497 41.169 22.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.053 41.370 21.266 1.00 0.00 H new ATOM 749 N TRP A 237 -0.562 36.332 17.040 1.00 0.00 N ATOM 750 CA TRP A 237 -1.544 35.876 16.083 1.00 0.00 C ATOM 751 C TRP A 237 -2.075 34.510 16.525 1.00 0.00 C ATOM 752 O TRP A 237 -1.394 33.740 17.204 1.00 0.00 O ATOM 753 CB TRP A 237 -0.858 35.798 14.717 1.00 0.00 C ATOM 754 CG TRP A 237 -1.639 35.156 13.620 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.412 35.768 12.704 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.733 33.739 13.326 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.987 34.824 11.872 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.597 33.543 12.215 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.174 32.605 13.933 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.876 32.259 11.719 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.464 31.314 13.466 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.298 31.142 12.347 1.00 0.00 C ATOM 0 H TRP A 237 0.014 35.564 17.385 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.392 36.558 16.019 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.600 36.810 14.406 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.078 35.252 14.835 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.561 36.835 12.630 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.619 35.045 11.103 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.509 32.728 14.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.526 32.131 10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -1.047 30.452 13.966 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.495 30.150 11.969 1.00 0.00 H new ATOM 773 N PHE A 238 -3.307 34.223 16.098 1.00 0.00 N ATOM 774 CA PHE A 238 -4.061 33.037 16.472 1.00 0.00 C ATOM 775 C PHE A 238 -4.633 32.353 15.235 1.00 0.00 C ATOM 776 O PHE A 238 -5.230 32.997 14.371 1.00 0.00 O ATOM 777 CB PHE A 238 -5.165 33.412 17.474 1.00 0.00 C ATOM 778 CG PHE A 238 -4.693 33.656 18.902 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.918 34.788 19.232 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.036 32.742 19.916 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.434 34.961 20.541 1.00 0.00 C ATOM 782 CE2 PHE A 238 -4.579 32.931 21.230 1.00 0.00 C ATOM 783 CZ PHE A 238 -3.753 34.024 21.538 1.00 0.00 C ATOM 0 H PHE A 238 -3.819 34.834 15.461 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.392 32.326 16.957 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.667 34.311 17.116 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.908 32.615 17.486 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.695 35.526 18.475 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -5.655 31.889 19.681 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.817 35.814 20.780 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -4.863 32.235 22.005 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.364 34.144 22.538 1.00 0.00 H new ATOM 793 N CYS A 239 -4.447 31.025 15.181 1.00 0.00 N ATOM 794 CA CYS A 239 -4.963 30.168 14.123 1.00 0.00 C ATOM 795 C CYS A 239 -6.504 30.094 14.151 1.00 0.00 C ATOM 796 O CYS A 239 -7.112 30.527 15.134 1.00 0.00 O ATOM 797 CB CYS A 239 -4.240 28.813 14.177 1.00 0.00 C ATOM 798 SG CYS A 239 -5.135 27.546 15.113 1.00 0.00 S ATOM 0 H CYS A 239 -3.921 30.514 15.891 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.745 30.596 13.145 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -4.081 28.456 13.160 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -3.256 28.954 14.623 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.884 27.685 16.381 1.00 0.00 H new ATOM 804 N PRO A 240 -7.167 29.562 13.104 1.00 0.00 N ATOM 805 CA PRO A 240 -8.621 29.616 13.022 1.00 0.00 C ATOM 806 C PRO A 240 -9.321 28.721 14.050 1.00 0.00 C ATOM 807 O PRO A 240 -10.426 29.047 14.475 1.00 0.00 O ATOM 808 CB PRO A 240 -8.982 29.218 11.588 1.00 0.00 C ATOM 809 CG PRO A 240 -7.806 28.339 11.172 1.00 0.00 C ATOM 810 CD PRO A 240 -6.616 28.967 11.895 1.00 0.00 C ATOM 0 HA PRO A 240 -8.969 30.621 13.261 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.927 28.676 11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -9.084 30.089 10.941 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.955 27.302 11.471 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.666 28.342 10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.862 28.217 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -6.131 29.719 11.273 1.00 0.00 H new ATOM 818 N ARG A 241 -8.667 27.638 14.492 1.00 0.00 N ATOM 819 CA ARG A 241 -9.153 26.754 15.544 1.00 0.00 C ATOM 820 C ARG A 241 -8.742 27.234 16.950 1.00 0.00 C ATOM 821 O ARG A 241 -8.930 26.495 17.915 1.00 0.00 O ATOM 822 CB ARG A 241 -8.702 25.309 15.264 1.00 0.00 C ATOM 823 CG ARG A 241 -9.195 24.809 13.893 1.00 0.00 C ATOM 824 CD ARG A 241 -9.096 23.286 13.749 1.00 0.00 C ATOM 825 NE ARG A 241 -10.086 22.602 14.598 1.00 0.00 N ATOM 826 CZ ARG A 241 -10.397 21.299 14.553 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.796 20.462 13.704 1.00 0.00 N ATOM 828 NH2 ARG A 241 -11.332 20.823 15.376 1.00 0.00 N ATOM 0 H ARG A 241 -7.764 27.351 14.114 1.00 0.00 H new ATOM 0 HA ARG A 241 -10.243 26.779 15.534 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.614 25.255 15.300 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -9.080 24.652 16.047 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -10.231 25.117 13.749 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -8.609 25.283 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -9.252 23.006 12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.093 22.958 14.020 1.00 0.00 H new ATOM 0 HE ARG A 241 -10.581 23.173 15.284 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -9.079 20.809 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -10.054 19.475 13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -11.802 21.449 16.030 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -11.577 19.833 15.351 1.00 0.00 H new ATOM 842 N CYS A 242 -8.193 28.455 17.072 1.00 0.00 N ATOM 843 CA CYS A 242 -7.678 29.030 18.301 1.00 0.00 C ATOM 844 C CYS A 242 -8.271 30.406 18.637 1.00 0.00 C ATOM 845 O CYS A 242 -8.174 30.810 19.795 1.00 0.00 O ATOM 846 CB CYS A 242 -6.156 29.144 18.171 1.00 0.00 C ATOM 847 SG CYS A 242 -5.315 27.572 18.525 1.00 0.00 S ATOM 0 H CYS A 242 -8.098 29.085 16.276 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.968 28.371 19.119 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.903 29.470 17.162 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.791 29.911 18.855 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.409 27.761 19.438 1.00 0.00 H new ATOM 853 N SER A 243 -8.889 31.113 17.677 1.00 0.00 N ATOM 854 CA SER A 243 -9.580 32.378 17.949 1.00 0.00 C ATOM 855 C SER A 243 -10.712 32.665 16.959 1.00 0.00 C ATOM 856 O SER A 243 -11.745 33.194 17.369 1.00 0.00 O ATOM 857 CB SER A 243 -8.563 33.525 17.937 1.00 0.00 C ATOM 858 OG SER A 243 -9.173 34.754 18.271 1.00 0.00 O ATOM 0 H SER A 243 -8.922 30.825 16.699 1.00 0.00 H new ATOM 0 HA SER A 243 -10.043 32.292 18.932 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.761 33.311 18.643 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.107 33.599 16.950 1.00 0.00 H new ATOM 0 HG SER A 243 -8.501 35.467 18.257 1.00 0.00 H new ATOM 864 N GLN A 244 -10.545 32.300 15.679 1.00 0.00 N ATOM 865 CA GLN A 244 -11.568 32.535 14.655 1.00 0.00 C ATOM 866 C GLN A 244 -12.820 31.667 14.876 1.00 0.00 C ATOM 867 O GLN A 244 -13.890 32.024 14.385 1.00 0.00 O ATOM 868 CB GLN A 244 -10.970 32.303 13.260 1.00 0.00 C ATOM 869 CG GLN A 244 -11.741 33.007 12.138 1.00 0.00 C ATOM 870 CD GLN A 244 -11.073 32.759 10.787 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.102 33.423 10.440 1.00 0.00 O ATOM 872 NE2 GLN A 244 -11.574 31.792 10.019 1.00 0.00 N ATOM 0 H GLN A 244 -9.705 31.838 15.329 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.893 33.573 14.734 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.937 32.651 13.254 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.947 31.232 13.057 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.769 32.645 12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.785 34.078 12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.383 31.257 10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -11.149 31.587 9.115 1.00 0.00 H new ATOM 881 N GLU A 245 -12.704 30.572 15.648 1.00 0.00 N ATOM 882 CA GLU A 245 -13.804 29.672 16.000 1.00 0.00 C ATOM 883 C GLU A 245 -14.930 30.395 16.767 1.00 0.00 C ATOM 884 O GLU A 245 -16.076 29.951 16.736 1.00 0.00 O ATOM 885 CB GLU A 245 -13.228 28.488 16.806 1.00 0.00 C ATOM 886 CG GLU A 245 -13.814 27.124 16.408 1.00 0.00 C ATOM 887 CD GLU A 245 -15.293 26.960 16.765 1.00 0.00 C ATOM 888 OE1 GLU A 245 -15.591 26.961 17.980 1.00 0.00 O ATOM 889 OE2 GLU A 245 -16.098 26.812 15.819 1.00 0.00 O ATOM 0 H GLU A 245 -11.813 30.285 16.054 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.267 29.301 15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.147 28.461 16.672 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.414 28.658 17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.692 26.986 15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -13.242 26.336 16.898 1.00 0.00 H new