USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 489 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 338 HIS : no HE2:sc= 0.261 K(o=0.5,f=-2.1) USER MOD Set 1.2: A 363 SER OG : rot 180:sc= 0.244 USER MOD Set 2.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -167:sc=-0.000739 (180deg=-0.206) USER MOD Set 3.1: A 301 THR OG1 : rot 180:sc= -0.0271 USER MOD Set 3.2: A 303 ASN : amide:sc= -2.12 K(o=-2.1,f=1.3) USER MOD Set 4.1: A 290 CYS SG : rot 16:sc= 0.531 USER MOD Set 4.2: A 362 ASN : amide:sc= -0.706 X(o=-0.17,f=0.23) USER MOD Single : A 289 HIS : no HD1:sc= -2.03 X(o=-2,f=-2!) USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 293 MET CE :methyl 179:sc= -1.29 (180deg=-1.31) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.374 K(o=0.37,f=-0.79) USER MOD Single : A 310 SER OG : rot 96:sc= 0.478 USER MOD Single : A 313 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.47) USER MOD Single : A 318 HIS : no HE2:sc= -0.451 X(o=-0.45,f=-0.19) USER MOD Single : A 337 THR OG1 : rot -12:sc= 1.09 USER MOD Single : A 345 MET CE :methyl -174:sc= -3.77! (180deg=-3.85!) USER MOD Single : A 351 ASN : amide:sc= 0.00563 K(o=0.0056,f=-3.9!) USER MOD Single : A 352 MET CE :methyl 156:sc=-0.00243 (180deg=-0.641) USER MOD Single : A 353 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.08) USER MOD Single : A 354 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.36) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 365 THR OG1 : rot -42:sc= 0.938 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.846 5.175 -5.999 1.00 0.00 N ATOM 160 CA HIS A 289 -3.398 5.082 -5.886 1.00 0.00 C ATOM 161 C HIS A 289 -3.083 3.944 -4.917 1.00 0.00 C ATOM 162 O HIS A 289 -3.847 3.729 -3.978 1.00 0.00 O ATOM 163 CB HIS A 289 -2.875 6.427 -5.376 1.00 0.00 C ATOM 164 CG HIS A 289 -3.150 7.548 -6.345 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.221 8.207 -7.117 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.370 8.104 -6.623 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.873 9.133 -7.843 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.190 9.111 -7.575 1.00 0.00 N ATOM 0 HA HIS A 289 -2.918 4.870 -6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.340 6.656 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.802 6.355 -5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.312 7.814 -6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.402 9.804 -8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.910 9.707 -7.983 1.00 0.00 H new ATOM 176 N CYS A 290 -1.983 3.205 -5.114 1.00 0.00 N ATOM 177 CA CYS A 290 -1.709 2.082 -4.231 1.00 0.00 C ATOM 178 C CYS A 290 -0.218 1.883 -3.977 1.00 0.00 C ATOM 179 O CYS A 290 0.628 2.532 -4.587 1.00 0.00 O ATOM 180 CB CYS A 290 -2.370 0.823 -4.801 1.00 0.00 C ATOM 181 SG CYS A 290 -1.871 0.570 -6.522 1.00 0.00 S ATOM 0 H CYS A 290 -1.295 3.362 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.139 2.299 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -2.090 -0.044 -4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -3.454 0.915 -4.740 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.829 1.302 -6.784 1.00 0.00 H new ATOM 187 N VAL A 291 0.086 0.966 -3.054 1.00 0.00 N ATOM 188 CA VAL A 291 1.439 0.664 -2.603 1.00 0.00 C ATOM 189 C VAL A 291 1.475 -0.793 -2.138 1.00 0.00 C ATOM 190 O VAL A 291 0.435 -1.357 -1.800 1.00 0.00 O ATOM 191 CB VAL A 291 1.793 1.611 -1.443 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.203 1.371 -0.918 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.738 3.080 -1.869 1.00 0.00 C ATOM 0 H VAL A 291 -0.625 0.400 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 291 2.163 0.803 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 291 1.053 1.401 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.409 2.062 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.287 0.346 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 291 3.923 1.533 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.994 3.715 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.448 3.251 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.732 3.322 -2.212 1.00 0.00 H new ATOM 203 N HIS A 292 2.662 -1.408 -2.118 1.00 0.00 N ATOM 204 CA HIS A 292 2.832 -2.785 -1.671 1.00 0.00 C ATOM 205 C HIS A 292 3.524 -2.806 -0.310 1.00 0.00 C ATOM 206 O HIS A 292 4.137 -1.818 0.085 1.00 0.00 O ATOM 207 CB HIS A 292 3.670 -3.553 -2.693 1.00 0.00 C ATOM 208 CG HIS A 292 3.061 -3.588 -4.071 1.00 0.00 C ATOM 209 ND1 HIS A 292 3.651 -3.144 -5.231 1.00 0.00 N ATOM 210 CD2 HIS A 292 1.822 -4.066 -4.404 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.787 -3.360 -6.238 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.652 -3.919 -5.786 1.00 0.00 N ATOM 0 H HIS A 292 3.530 -0.960 -2.413 1.00 0.00 H new ATOM 0 HA HIS A 292 1.855 -3.258 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.659 -3.099 -2.754 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.810 -4.575 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.100 -4.484 -3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 292 2.980 -3.117 -7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 292 0.835 -4.182 -6.336 1.00 0.00 H new ATOM 220 N MET A 293 3.430 -3.925 0.412 1.00 0.00 N ATOM 221 CA MET A 293 4.007 -4.061 1.742 1.00 0.00 C ATOM 222 C MET A 293 4.329 -5.528 2.020 1.00 0.00 C ATOM 223 O MET A 293 3.702 -6.421 1.457 1.00 0.00 O ATOM 224 CB MET A 293 2.990 -3.523 2.754 1.00 0.00 C ATOM 225 CG MET A 293 3.429 -3.682 4.208 1.00 0.00 C ATOM 226 SD MET A 293 2.180 -3.059 5.360 1.00 0.00 S ATOM 227 CE MET A 293 3.059 -3.287 6.922 1.00 0.00 C ATOM 0 H MET A 293 2.949 -4.763 0.085 1.00 0.00 H new ATOM 0 HA MET A 293 4.936 -3.496 1.820 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.812 -2.467 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.041 -4.039 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.623 -4.734 4.416 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.366 -3.148 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.436 -2.935 7.745 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.282 -4.345 7.063 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.989 -2.719 6.902 1.00 0.00 H new ATOM 237 N ARG A 294 5.310 -5.783 2.891 1.00 0.00 N ATOM 238 CA ARG A 294 5.670 -7.142 3.267 1.00 0.00 C ATOM 239 C ARG A 294 6.454 -7.158 4.576 1.00 0.00 C ATOM 240 O ARG A 294 6.937 -6.126 5.036 1.00 0.00 O ATOM 241 CB ARG A 294 6.476 -7.792 2.137 1.00 0.00 C ATOM 242 CG ARG A 294 7.711 -6.967 1.763 1.00 0.00 C ATOM 243 CD ARG A 294 8.520 -7.706 0.698 1.00 0.00 C ATOM 244 NE ARG A 294 7.728 -7.971 -0.505 1.00 0.00 N ATOM 245 CZ ARG A 294 7.812 -7.278 -1.644 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.663 -6.261 -1.771 1.00 0.00 N ATOM 247 NH2 ARG A 294 7.029 -7.614 -2.664 1.00 0.00 N ATOM 0 H ARG A 294 5.867 -5.060 3.347 1.00 0.00 H new ATOM 0 HA ARG A 294 4.758 -7.717 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 294 6.787 -8.791 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 294 5.840 -7.910 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 294 7.408 -5.989 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 294 8.326 -6.794 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 294 9.396 -7.114 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 294 8.884 -8.648 1.108 1.00 0.00 H new ATOM 0 HE ARG A 294 7.062 -8.743 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 294 9.265 -5.999 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 294 8.712 -5.744 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 294 6.375 -8.392 -2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 294 7.082 -7.094 -3.540 1.00 0.00 H new ATOM 261 N GLY A 295 6.575 -8.349 5.170 1.00 0.00 N ATOM 262 CA GLY A 295 7.258 -8.550 6.438 1.00 0.00 C ATOM 263 C GLY A 295 6.291 -8.727 7.605 1.00 0.00 C ATOM 264 O GLY A 295 6.701 -9.175 8.674 1.00 0.00 O ATOM 0 H GLY A 295 6.194 -9.208 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.899 -9.429 6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.908 -7.697 6.636 1.00 0.00 H new ATOM 268 N LEU A 296 5.012 -8.381 7.418 1.00 0.00 N ATOM 269 CA LEU A 296 4.055 -8.348 8.507 1.00 0.00 C ATOM 270 C LEU A 296 3.295 -9.670 8.693 1.00 0.00 C ATOM 271 O LEU A 296 3.427 -10.266 9.760 1.00 0.00 O ATOM 272 CB LEU A 296 3.161 -7.119 8.265 1.00 0.00 C ATOM 273 CG LEU A 296 2.086 -6.798 9.308 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.871 -7.721 9.218 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.645 -6.822 10.726 1.00 0.00 C ATOM 0 H LEU A 296 4.623 -8.120 6.512 1.00 0.00 H new ATOM 0 HA LEU A 296 4.562 -8.245 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.809 -6.247 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.665 -7.250 7.303 1.00 0.00 H new ATOM 0 HG LEU A 296 1.752 -5.787 9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.145 -7.443 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.414 -7.626 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 296 1.186 -8.753 9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.850 -6.589 11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 296 3.045 -7.812 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.440 -6.082 10.816 1.00 0.00 H new ATOM 344 N ALA A 300 0.222 -11.106 12.756 1.00 0.00 N ATOM 345 CA ALA A 300 -0.341 -9.773 12.875 1.00 0.00 C ATOM 346 C ALA A 300 -1.208 -9.522 11.644 1.00 0.00 C ATOM 347 O ALA A 300 -1.169 -10.314 10.702 1.00 0.00 O ATOM 348 CB ALA A 300 0.794 -8.754 12.969 1.00 0.00 C ATOM 0 HA ALA A 300 -0.952 -9.679 13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.376 -7.751 13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.407 -8.971 13.844 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.410 -8.812 12.072 1.00 0.00 H new ATOM 354 N THR A 301 -1.990 -8.438 11.632 1.00 0.00 N ATOM 355 CA THR A 301 -2.947 -8.235 10.552 1.00 0.00 C ATOM 356 C THR A 301 -3.153 -6.778 10.177 1.00 0.00 C ATOM 357 O THR A 301 -2.563 -5.851 10.735 1.00 0.00 O ATOM 358 CB THR A 301 -4.318 -8.819 10.930 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.624 -8.530 12.275 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.342 -10.328 10.727 1.00 0.00 C ATOM 0 H THR A 301 -1.978 -7.706 12.342 1.00 0.00 H new ATOM 0 HA THR A 301 -2.516 -8.747 9.692 1.00 0.00 H new ATOM 0 HB THR A 301 -5.063 -8.360 10.280 1.00 0.00 H new ATOM 0 HG1 THR A 301 -5.500 -8.907 12.499 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.323 -10.716 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.141 -10.558 9.681 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.580 -10.792 11.353 1.00 0.00 H new ATOM 368 N GLU A 302 -4.034 -6.622 9.189 1.00 0.00 N ATOM 369 CA GLU A 302 -4.504 -5.366 8.648 1.00 0.00 C ATOM 370 C GLU A 302 -4.808 -4.341 9.738 1.00 0.00 C ATOM 371 O GLU A 302 -4.612 -3.147 9.528 1.00 0.00 O ATOM 372 CB GLU A 302 -5.737 -5.691 7.800 1.00 0.00 C ATOM 373 CG GLU A 302 -7.045 -5.557 8.579 1.00 0.00 C ATOM 374 CD GLU A 302 -8.249 -6.021 7.761 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.167 -7.127 7.182 1.00 0.00 O ATOM 376 OE2 GLU A 302 -9.245 -5.266 7.719 1.00 0.00 O ATOM 0 H GLU A 302 -4.459 -7.424 8.723 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.730 -4.899 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.764 -5.026 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.651 -6.708 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.982 -6.143 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.186 -4.517 8.874 1.00 0.00 H new ATOM 383 N ASN A 303 -5.286 -4.809 10.899 1.00 0.00 N ATOM 384 CA ASN A 303 -5.673 -3.951 12.010 1.00 0.00 C ATOM 385 C ASN A 303 -4.531 -3.060 12.499 1.00 0.00 C ATOM 386 O ASN A 303 -4.774 -2.129 13.265 1.00 0.00 O ATOM 387 CB ASN A 303 -6.229 -4.801 13.154 1.00 0.00 C ATOM 388 CG ASN A 303 -5.102 -5.372 13.998 1.00 0.00 C ATOM 389 OD1 ASN A 303 -5.153 -5.349 15.225 1.00 0.00 O ATOM 390 ND2 ASN A 303 -4.075 -5.887 13.336 1.00 0.00 N ATOM 0 H ASN A 303 -5.413 -5.803 11.088 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.450 -3.279 11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.886 -4.195 13.778 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.834 -5.613 12.750 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.287 -6.285 13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.073 -5.886 12.316 1.00 0.00 H new ATOM 397 N ASP A 304 -3.295 -3.333 12.065 1.00 0.00 N ATOM 398 CA ASP A 304 -2.153 -2.508 12.418 1.00 0.00 C ATOM 399 C ASP A 304 -1.361 -2.075 11.191 1.00 0.00 C ATOM 400 O ASP A 304 -0.450 -1.257 11.297 1.00 0.00 O ATOM 401 CB ASP A 304 -1.278 -3.268 13.414 1.00 0.00 C ATOM 402 CG ASP A 304 -0.455 -2.316 14.280 1.00 0.00 C ATOM 403 OD1 ASP A 304 -1.060 -1.372 14.838 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.771 -2.541 14.379 1.00 0.00 O ATOM 0 H ASP A 304 -3.068 -4.126 11.465 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.513 -1.591 12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.907 -3.889 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.610 -3.939 12.874 1.00 0.00 H new ATOM 409 N ILE A 305 -1.699 -2.614 10.019 1.00 0.00 N ATOM 410 CA ILE A 305 -1.089 -2.173 8.771 1.00 0.00 C ATOM 411 C ILE A 305 -1.480 -0.730 8.469 1.00 0.00 C ATOM 412 O ILE A 305 -0.623 0.088 8.139 1.00 0.00 O ATOM 413 CB ILE A 305 -1.563 -3.087 7.647 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.856 -4.436 7.805 1.00 0.00 C ATOM 415 CG2 ILE A 305 -1.284 -2.462 6.275 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.227 -5.385 6.673 1.00 0.00 C ATOM 0 H ILE A 305 -2.391 -3.355 9.911 1.00 0.00 H new ATOM 0 HA ILE A 305 -0.004 -2.221 8.858 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.642 -3.230 7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.223 -4.285 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.127 -4.882 8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.632 -3.135 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.809 -1.510 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -0.213 -2.296 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.711 -6.335 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.304 -5.553 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.932 -4.947 5.719 1.00 0.00 H new ATOM 428 N TYR A 306 -2.770 -0.393 8.573 1.00 0.00 N ATOM 429 CA TYR A 306 -3.170 0.978 8.297 1.00 0.00 C ATOM 430 C TYR A 306 -2.807 1.895 9.467 1.00 0.00 C ATOM 431 O TYR A 306 -3.086 3.092 9.420 1.00 0.00 O ATOM 432 CB TYR A 306 -4.632 1.074 7.857 1.00 0.00 C ATOM 433 CG TYR A 306 -5.684 0.677 8.866 1.00 0.00 C ATOM 434 CD1 TYR A 306 -6.074 -0.664 8.993 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.280 1.659 9.667 1.00 0.00 C ATOM 436 CE1 TYR A 306 -7.065 -1.029 9.914 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.288 1.309 10.576 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.679 -0.040 10.710 1.00 0.00 C ATOM 439 OH TYR A 306 -8.648 -0.383 11.606 1.00 0.00 O ATOM 0 H TYR A 306 -3.524 -1.027 8.836 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.600 1.338 7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.826 2.103 7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.760 0.450 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.608 -1.419 8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.962 2.688 9.584 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.357 -2.064 10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.765 2.072 11.174 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.962 0.420 12.071 1.00 0.00 H new ATOM 449 N ASN A 307 -2.184 1.336 10.512 1.00 0.00 N ATOM 450 CA ASN A 307 -1.614 2.130 11.596 1.00 0.00 C ATOM 451 C ASN A 307 -0.129 2.371 11.313 1.00 0.00 C ATOM 452 O ASN A 307 0.456 3.338 11.796 1.00 0.00 O ATOM 453 CB ASN A 307 -1.766 1.387 12.923 1.00 0.00 C ATOM 454 CG ASN A 307 -3.212 1.200 13.349 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.127 1.818 12.813 1.00 0.00 O ATOM 456 ND2 ASN A 307 -3.414 0.333 14.332 1.00 0.00 N ATOM 0 H ASN A 307 -2.064 0.329 10.625 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.138 3.083 11.661 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -1.290 0.410 12.840 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.234 1.935 13.701 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -4.360 0.158 14.671 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -2.624 -0.159 14.749 1.00 0.00 H new ATOM 463 N PHE A 308 0.476 1.481 10.522 1.00 0.00 N ATOM 464 CA PHE A 308 1.834 1.618 10.018 1.00 0.00 C ATOM 465 C PHE A 308 1.849 2.588 8.834 1.00 0.00 C ATOM 466 O PHE A 308 2.913 2.977 8.357 1.00 0.00 O ATOM 467 CB PHE A 308 2.313 0.220 9.617 1.00 0.00 C ATOM 468 CG PHE A 308 3.580 0.150 8.798 1.00 0.00 C ATOM 469 CD1 PHE A 308 4.831 0.162 9.427 1.00 0.00 C ATOM 470 CD2 PHE A 308 3.497 0.062 7.401 1.00 0.00 C ATOM 471 CE1 PHE A 308 5.999 0.047 8.662 1.00 0.00 C ATOM 472 CE2 PHE A 308 4.666 -0.052 6.637 1.00 0.00 C ATOM 473 CZ PHE A 308 5.917 -0.068 7.269 1.00 0.00 C ATOM 0 H PHE A 308 0.018 0.625 10.210 1.00 0.00 H new ATOM 0 HA PHE A 308 2.504 2.028 10.774 1.00 0.00 H new ATOM 0 HB2 PHE A 308 2.462 -0.363 10.526 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.516 -0.265 9.054 1.00 0.00 H new ATOM 0 HD1 PHE A 308 4.895 0.260 10.501 1.00 0.00 H new ATOM 0 HD2 PHE A 308 2.533 0.082 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 308 6.964 0.047 9.147 1.00 0.00 H new ATOM 0 HE2 PHE A 308 4.603 -0.128 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.818 -0.169 6.682 1.00 0.00 H new ATOM 483 N PHE A 309 0.659 2.977 8.363 1.00 0.00 N ATOM 484 CA PHE A 309 0.495 3.911 7.259 1.00 0.00 C ATOM 485 C PHE A 309 -0.222 5.193 7.682 1.00 0.00 C ATOM 486 O PHE A 309 -0.760 5.911 6.843 1.00 0.00 O ATOM 487 CB PHE A 309 -0.207 3.204 6.099 1.00 0.00 C ATOM 488 CG PHE A 309 0.731 2.372 5.257 1.00 0.00 C ATOM 489 CD1 PHE A 309 1.927 2.948 4.811 1.00 0.00 C ATOM 490 CD2 PHE A 309 0.418 1.048 4.914 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.796 2.222 3.994 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.297 0.317 4.099 1.00 0.00 C ATOM 493 CZ PHE A 309 2.481 0.908 3.632 1.00 0.00 C ATOM 0 H PHE A 309 -0.225 2.644 8.747 1.00 0.00 H new ATOM 0 HA PHE A 309 1.481 4.232 6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -0.995 2.563 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -0.690 3.949 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.178 3.958 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -0.493 0.594 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.711 2.675 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.061 -0.702 3.831 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.149 0.349 2.993 1.00 0.00 H new ATOM 503 N SER A 310 -0.231 5.487 8.984 1.00 0.00 N ATOM 504 CA SER A 310 -0.699 6.763 9.509 1.00 0.00 C ATOM 505 C SER A 310 0.140 7.902 8.914 1.00 0.00 C ATOM 506 O SER A 310 1.176 7.636 8.305 1.00 0.00 O ATOM 507 CB SER A 310 -0.552 6.727 11.027 1.00 0.00 C ATOM 508 OG SER A 310 -1.363 5.706 11.564 1.00 0.00 O ATOM 0 H SER A 310 0.089 4.840 9.705 1.00 0.00 H new ATOM 0 HA SER A 310 -1.742 6.933 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.490 6.555 11.296 1.00 0.00 H new ATOM 0 HB3 SER A 310 -0.836 7.690 11.451 1.00 0.00 H new ATOM 0 HG SER A 310 -0.825 4.898 11.699 1.00 0.00 H new ATOM 514 N PRO A 311 -0.267 9.173 9.063 1.00 0.00 N ATOM 515 CA PRO A 311 -1.444 9.661 9.772 1.00 0.00 C ATOM 516 C PRO A 311 -2.744 9.445 9.000 1.00 0.00 C ATOM 517 O PRO A 311 -3.798 9.874 9.466 1.00 0.00 O ATOM 518 CB PRO A 311 -1.187 11.155 9.956 1.00 0.00 C ATOM 519 CG PRO A 311 -0.394 11.519 8.706 1.00 0.00 C ATOM 520 CD PRO A 311 0.479 10.285 8.501 1.00 0.00 C ATOM 0 HA PRO A 311 -1.578 9.121 10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.117 11.720 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -0.623 11.359 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.045 11.703 7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.203 12.419 8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.684 10.123 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.442 10.401 8.998 1.00 0.00 H new ATOM 528 N LEU A 312 -2.700 8.795 7.831 1.00 0.00 N ATOM 529 CA LEU A 312 -3.890 8.656 7.014 1.00 0.00 C ATOM 530 C LEU A 312 -4.964 7.826 7.706 1.00 0.00 C ATOM 531 O LEU A 312 -4.692 6.779 8.294 1.00 0.00 O ATOM 532 CB LEU A 312 -3.547 8.035 5.664 1.00 0.00 C ATOM 533 CG LEU A 312 -2.686 8.938 4.779 1.00 0.00 C ATOM 534 CD1 LEU A 312 -3.069 10.416 4.873 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.207 8.783 5.095 1.00 0.00 C ATOM 0 H LEU A 312 -1.861 8.366 7.442 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.289 9.659 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -3.022 7.094 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.471 7.797 5.137 1.00 0.00 H new ATOM 0 HG LEU A 312 -2.878 8.608 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -2.421 11.002 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -4.106 10.544 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -2.954 10.757 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.626 9.439 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.028 9.049 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -0.906 7.749 4.928 1.00 0.00 H new ATOM 547 N ASN A 313 -6.196 8.327 7.616 1.00 0.00 N ATOM 548 CA ASN A 313 -7.395 7.676 8.113 1.00 0.00 C ATOM 549 C ASN A 313 -7.617 6.382 7.331 1.00 0.00 C ATOM 550 O ASN A 313 -7.093 6.235 6.227 1.00 0.00 O ATOM 551 CB ASN A 313 -8.567 8.645 7.930 1.00 0.00 C ATOM 552 CG ASN A 313 -8.349 9.952 8.677 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.730 9.985 9.737 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.862 11.045 8.121 1.00 0.00 N ATOM 0 H ASN A 313 -6.387 9.229 7.179 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.303 7.422 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.703 8.853 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.485 8.175 8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.747 11.951 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -9.370 10.978 7.239 1.00 0.00 H new ATOM 561 N PRO A 314 -8.384 5.438 7.883 1.00 0.00 N ATOM 562 CA PRO A 314 -8.559 4.122 7.303 1.00 0.00 C ATOM 563 C PRO A 314 -9.383 4.180 6.018 1.00 0.00 C ATOM 564 O PRO A 314 -10.562 4.532 6.027 1.00 0.00 O ATOM 565 CB PRO A 314 -9.213 3.289 8.403 1.00 0.00 C ATOM 566 CG PRO A 314 -9.969 4.315 9.246 1.00 0.00 C ATOM 567 CD PRO A 314 -9.125 5.582 9.119 1.00 0.00 C ATOM 0 HA PRO A 314 -7.615 3.675 6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.887 2.539 7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.469 2.756 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.982 4.470 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.056 3.994 10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.755 6.471 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.451 5.690 9.969 1.00 0.00 H new ATOM 575 N VAL A 315 -8.725 3.824 4.912 1.00 0.00 N ATOM 576 CA VAL A 315 -9.303 3.757 3.573 1.00 0.00 C ATOM 577 C VAL A 315 -8.656 2.608 2.796 1.00 0.00 C ATOM 578 O VAL A 315 -8.881 2.469 1.595 1.00 0.00 O ATOM 579 CB VAL A 315 -9.064 5.066 2.799 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.740 6.272 3.447 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.571 5.374 2.670 1.00 0.00 C ATOM 0 H VAL A 315 -7.738 3.565 4.928 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.376 3.597 3.676 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.505 4.902 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.535 7.165 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.816 6.105 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.352 6.408 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.438 6.305 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.133 5.475 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.077 4.562 2.136 1.00 0.00 H new ATOM 591 N ARG A 316 -7.851 1.785 3.479 1.00 0.00 N ATOM 592 CA ARG A 316 -6.983 0.814 2.830 1.00 0.00 C ATOM 593 C ARG A 316 -6.631 -0.344 3.755 1.00 0.00 C ATOM 594 O ARG A 316 -6.453 -0.127 4.950 1.00 0.00 O ATOM 595 CB ARG A 316 -5.684 1.544 2.469 1.00 0.00 C ATOM 596 CG ARG A 316 -4.958 1.994 3.746 1.00 0.00 C ATOM 597 CD ARG A 316 -3.815 2.978 3.499 1.00 0.00 C ATOM 598 NE ARG A 316 -3.291 3.443 4.787 1.00 0.00 N ATOM 599 CZ ARG A 316 -3.912 4.355 5.540 1.00 0.00 C ATOM 600 NH1 ARG A 316 -5.001 4.965 5.082 1.00 0.00 N ATOM 601 NH2 ARG A 316 -3.458 4.662 6.750 1.00 0.00 N ATOM 0 H ARG A 316 -7.788 1.779 4.497 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.496 0.406 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.038 0.887 1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.906 2.409 1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.681 2.455 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.563 1.115 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.024 2.498 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.169 3.824 2.910 1.00 0.00 H new ATOM 0 HE ARG A 316 -2.411 3.052 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -5.362 4.737 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -5.475 5.661 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -2.625 4.199 7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -3.942 5.360 7.314 1.00 0.00 H new ATOM 615 N VAL A 317 -6.536 -1.549 3.180 1.00 0.00 N ATOM 616 CA VAL A 317 -5.930 -2.758 3.744 1.00 0.00 C ATOM 617 C VAL A 317 -6.214 -3.948 2.830 1.00 0.00 C ATOM 618 O VAL A 317 -7.347 -4.134 2.391 1.00 0.00 O ATOM 619 CB VAL A 317 -6.399 -3.134 5.156 1.00 0.00 C ATOM 620 CG1 VAL A 317 -5.373 -2.646 6.180 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.830 -2.741 5.532 1.00 0.00 C ATOM 0 H VAL A 317 -6.906 -1.715 2.244 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.868 -2.524 3.818 1.00 0.00 H new ATOM 0 HB VAL A 317 -6.454 -4.223 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.705 -2.913 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -4.409 -3.114 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.273 -1.563 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -8.039 -3.062 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.940 -1.659 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.531 -3.222 4.850 1.00 0.00 H new ATOM 631 N HIS A 318 -5.186 -4.755 2.546 1.00 0.00 N ATOM 632 CA HIS A 318 -5.337 -6.010 1.828 1.00 0.00 C ATOM 633 C HIS A 318 -4.109 -6.887 2.092 1.00 0.00 C ATOM 634 O HIS A 318 -3.020 -6.366 2.314 1.00 0.00 O ATOM 635 CB HIS A 318 -5.478 -5.709 0.335 1.00 0.00 C ATOM 636 CG HIS A 318 -5.889 -6.908 -0.472 1.00 0.00 C ATOM 637 ND1 HIS A 318 -7.157 -7.189 -0.929 1.00 0.00 N ATOM 638 CD2 HIS A 318 -5.074 -7.923 -0.891 1.00 0.00 C ATOM 639 CE1 HIS A 318 -7.100 -8.348 -1.608 1.00 0.00 C ATOM 640 NE2 HIS A 318 -5.847 -8.837 -1.615 1.00 0.00 N ATOM 0 H HIS A 318 -4.223 -4.548 2.812 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.226 -6.543 2.167 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.214 -4.917 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.529 -5.331 -0.045 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -7.990 -6.620 -0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -4.015 -8.005 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.946 -8.822 -2.083 1.00 0.00 H new ATOM 648 N ILE A 319 -4.279 -8.215 2.069 1.00 0.00 N ATOM 649 CA ILE A 319 -3.202 -9.164 2.332 1.00 0.00 C ATOM 650 C ILE A 319 -3.317 -10.310 1.329 1.00 0.00 C ATOM 651 O ILE A 319 -4.405 -10.854 1.139 1.00 0.00 O ATOM 652 CB ILE A 319 -3.285 -9.690 3.776 1.00 0.00 C ATOM 653 CG1 ILE A 319 -3.039 -8.593 4.823 1.00 0.00 C ATOM 654 CG2 ILE A 319 -2.215 -10.763 3.988 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.326 -7.882 5.243 1.00 0.00 C ATOM 0 H ILE A 319 -5.175 -8.659 1.866 1.00 0.00 H new ATOM 0 HA ILE A 319 -2.236 -8.672 2.219 1.00 0.00 H new ATOM 0 HB ILE A 319 -4.294 -10.082 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -2.568 -9.034 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -2.339 -7.861 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -2.272 -11.137 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -2.381 -11.585 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -1.229 -10.333 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.094 -7.117 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -4.785 -7.415 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -5.018 -8.606 5.673 1.00 0.00 H new ATOM 667 N GLU A 320 -2.206 -10.682 0.684 1.00 0.00 N ATOM 668 CA GLU A 320 -2.230 -11.662 -0.388 1.00 0.00 C ATOM 669 C GLU A 320 -0.877 -12.348 -0.607 1.00 0.00 C ATOM 670 O GLU A 320 0.166 -11.850 -0.181 1.00 0.00 O ATOM 671 CB GLU A 320 -2.639 -10.881 -1.640 1.00 0.00 C ATOM 672 CG GLU A 320 -2.768 -11.727 -2.902 1.00 0.00 C ATOM 673 CD GLU A 320 -3.859 -12.789 -2.772 1.00 0.00 C ATOM 674 OE1 GLU A 320 -3.580 -13.831 -2.139 1.00 0.00 O ATOM 675 OE2 GLU A 320 -4.966 -12.550 -3.306 1.00 0.00 O ATOM 0 H GLU A 320 -1.279 -10.313 0.893 1.00 0.00 H new ATOM 0 HA GLU A 320 -2.922 -12.468 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.593 -10.388 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.905 -10.096 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -2.991 -11.080 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -1.814 -12.211 -3.113 1.00 0.00 H new ATOM 817 N ALA A 331 1.379 -7.975 1.508 1.00 0.00 N ATOM 818 CA ALA A 331 0.197 -7.142 1.579 1.00 0.00 C ATOM 819 C ALA A 331 0.290 -5.972 0.613 1.00 0.00 C ATOM 820 O ALA A 331 1.329 -5.714 0.007 1.00 0.00 O ATOM 821 CB ALA A 331 0.066 -6.637 3.017 1.00 0.00 C ATOM 0 HA ALA A 331 -0.681 -7.723 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -0.818 -6.005 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.029 -7.486 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.952 -6.059 3.282 1.00 0.00 H new ATOM 827 N ASP A 332 -0.826 -5.261 0.479 1.00 0.00 N ATOM 828 CA ASP A 332 -0.900 -4.063 -0.329 1.00 0.00 C ATOM 829 C ASP A 332 -1.993 -3.149 0.215 1.00 0.00 C ATOM 830 O ASP A 332 -2.855 -3.582 0.979 1.00 0.00 O ATOM 831 CB ASP A 332 -1.143 -4.443 -1.790 1.00 0.00 C ATOM 832 CG ASP A 332 -2.443 -5.215 -1.993 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.419 -6.448 -1.779 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.447 -4.567 -2.360 1.00 0.00 O ATOM 0 H ASP A 332 -1.705 -5.507 0.933 1.00 0.00 H new ATOM 0 HA ASP A 332 0.043 -3.517 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.165 -3.538 -2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.308 -5.046 -2.147 1.00 0.00 H new ATOM 839 N VAL A 333 -1.951 -1.878 -0.185 1.00 0.00 N ATOM 840 CA VAL A 333 -2.861 -0.864 0.326 1.00 0.00 C ATOM 841 C VAL A 333 -3.167 0.171 -0.750 1.00 0.00 C ATOM 842 O VAL A 333 -2.537 0.189 -1.806 1.00 0.00 O ATOM 843 CB VAL A 333 -2.233 -0.163 1.538 1.00 0.00 C ATOM 844 CG1 VAL A 333 -2.038 -1.122 2.712 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.884 0.458 1.178 1.00 0.00 C ATOM 0 H VAL A 333 -1.284 -1.527 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.789 -1.353 0.624 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.929 0.622 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.591 -0.586 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.003 -1.528 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.380 -1.937 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.463 0.948 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.204 -0.322 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.022 1.192 0.384 1.00 0.00 H new ATOM 855 N GLU A 334 -4.143 1.033 -0.466 1.00 0.00 N ATOM 856 CA GLU A 334 -4.535 2.123 -1.344 1.00 0.00 C ATOM 857 C GLU A 334 -4.330 3.451 -0.619 1.00 0.00 C ATOM 858 O GLU A 334 -4.131 3.478 0.593 1.00 0.00 O ATOM 859 CB GLU A 334 -6.004 1.975 -1.756 1.00 0.00 C ATOM 860 CG GLU A 334 -6.286 0.683 -2.530 1.00 0.00 C ATOM 861 CD GLU A 334 -6.236 -0.564 -1.646 1.00 0.00 C ATOM 862 OE1 GLU A 334 -6.784 -0.510 -0.521 1.00 0.00 O ATOM 863 OE2 GLU A 334 -5.648 -1.568 -2.105 1.00 0.00 O ATOM 0 H GLU A 334 -4.689 0.989 0.395 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.920 2.097 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.629 2.000 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.290 2.829 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -7.269 0.752 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.558 0.581 -3.335 1.00 0.00 H new ATOM 870 N PHE A 335 -4.379 4.558 -1.359 1.00 0.00 N ATOM 871 CA PHE A 335 -4.227 5.891 -0.797 1.00 0.00 C ATOM 872 C PHE A 335 -5.017 6.890 -1.630 1.00 0.00 C ATOM 873 O PHE A 335 -5.234 6.691 -2.828 1.00 0.00 O ATOM 874 CB PHE A 335 -2.751 6.286 -0.787 1.00 0.00 C ATOM 875 CG PHE A 335 -1.960 5.580 0.290 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.087 5.986 1.626 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.105 4.522 -0.042 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.367 5.327 2.631 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.382 3.865 0.962 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.516 4.263 2.298 1.00 0.00 C ATOM 0 H PHE A 335 -4.526 4.551 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.605 5.893 0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.313 6.060 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.669 7.363 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.740 6.807 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -1.003 4.213 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.467 5.638 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.279 3.051 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.036 3.751 3.072 1.00 0.00 H new ATOM 890 N ALA A 336 -5.444 7.971 -0.974 1.00 0.00 N ATOM 891 CA ALA A 336 -6.117 9.063 -1.642 1.00 0.00 C ATOM 892 C ALA A 336 -5.050 9.960 -2.268 1.00 0.00 C ATOM 893 O ALA A 336 -4.356 10.699 -1.570 1.00 0.00 O ATOM 894 CB ALA A 336 -7.003 9.808 -0.643 1.00 0.00 C ATOM 0 H ALA A 336 -5.329 8.104 0.031 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.773 8.704 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.509 10.630 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.745 9.123 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.388 10.203 0.165 1.00 0.00 H new ATOM 900 N THR A 337 -4.938 9.876 -3.598 1.00 0.00 N ATOM 901 CA THR A 337 -3.962 10.588 -4.417 1.00 0.00 C ATOM 902 C THR A 337 -2.532 10.168 -4.097 1.00 0.00 C ATOM 903 O THR A 337 -2.255 9.542 -3.073 1.00 0.00 O ATOM 904 CB THR A 337 -4.120 12.111 -4.342 1.00 0.00 C ATOM 905 OG1 THR A 337 -3.682 12.616 -3.103 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.565 12.543 -4.585 1.00 0.00 C ATOM 0 H THR A 337 -5.554 9.283 -4.154 1.00 0.00 H new ATOM 0 HA THR A 337 -4.171 10.299 -5.447 1.00 0.00 H new ATOM 0 HB THR A 337 -3.494 12.525 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.551 11.875 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.635 13.629 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 337 -5.881 12.214 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.211 12.094 -3.830 1.00 0.00 H new ATOM 914 N HIS A 338 -1.609 10.522 -4.991 1.00 0.00 N ATOM 915 CA HIS A 338 -0.203 10.224 -4.802 1.00 0.00 C ATOM 916 C HIS A 338 0.363 11.034 -3.635 1.00 0.00 C ATOM 917 O HIS A 338 1.424 10.710 -3.111 1.00 0.00 O ATOM 918 CB HIS A 338 0.533 10.544 -6.101 1.00 0.00 C ATOM 919 CG HIS A 338 1.986 10.164 -6.074 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.500 8.887 -6.053 1.00 0.00 N ATOM 921 CD2 HIS A 338 3.046 11.029 -6.066 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.840 8.987 -6.047 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.226 10.276 -6.057 1.00 0.00 N ATOM 0 H HIS A 338 -1.819 11.019 -5.857 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.072 9.170 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 338 0.044 10.023 -6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.448 11.612 -6.304 1.00 0.00 H new ATOM 0 HD1 HIS A 338 1.961 8.021 -6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.983 12.107 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.517 8.145 -6.036 1.00 0.00 H new ATOM 931 N GLU A 339 -0.343 12.091 -3.224 1.00 0.00 N ATOM 932 CA GLU A 339 0.097 12.952 -2.139 1.00 0.00 C ATOM 933 C GLU A 339 0.030 12.233 -0.799 1.00 0.00 C ATOM 934 O GLU A 339 0.932 12.383 0.023 1.00 0.00 O ATOM 935 CB GLU A 339 -0.777 14.202 -2.105 1.00 0.00 C ATOM 936 CG GLU A 339 -0.526 15.011 -3.377 1.00 0.00 C ATOM 937 CD GLU A 339 -1.345 16.300 -3.387 1.00 0.00 C ATOM 938 OE1 GLU A 339 -0.963 17.232 -2.645 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.346 16.346 -4.137 1.00 0.00 O ATOM 0 H GLU A 339 -1.233 12.368 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 339 1.136 13.229 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -1.829 13.926 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -0.545 14.801 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.534 15.251 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.781 14.409 -4.249 1.00 0.00 H new ATOM 946 N GLU A 340 -1.024 11.448 -0.558 1.00 0.00 N ATOM 947 CA GLU A 340 -1.052 10.635 0.649 1.00 0.00 C ATOM 948 C GLU A 340 -0.144 9.419 0.486 1.00 0.00 C ATOM 949 O GLU A 340 0.347 8.882 1.478 1.00 0.00 O ATOM 950 CB GLU A 340 -2.472 10.184 0.976 1.00 0.00 C ATOM 951 CG GLU A 340 -3.331 11.388 1.370 1.00 0.00 C ATOM 952 CD GLU A 340 -4.693 10.968 1.922 1.00 0.00 C ATOM 953 OE1 GLU A 340 -4.918 9.746 2.077 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.507 11.882 2.185 1.00 0.00 O ATOM 0 H GLU A 340 -1.841 11.362 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 340 -0.689 11.246 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -2.910 9.682 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.453 9.460 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.804 11.979 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.475 12.030 0.501 1.00 0.00 H new ATOM 961 N ALA A 341 0.089 8.973 -0.755 1.00 0.00 N ATOM 962 CA ALA A 341 0.952 7.827 -0.983 1.00 0.00 C ATOM 963 C ALA A 341 2.396 8.145 -0.580 1.00 0.00 C ATOM 964 O ALA A 341 3.080 7.290 -0.019 1.00 0.00 O ATOM 965 CB ALA A 341 0.873 7.410 -2.452 1.00 0.00 C ATOM 0 H ALA A 341 -0.305 9.387 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 341 0.612 6.997 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.521 6.550 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.155 7.144 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.196 8.238 -3.083 1.00 0.00 H new ATOM 971 N VAL A 342 2.873 9.366 -0.856 1.00 0.00 N ATOM 972 CA VAL A 342 4.221 9.759 -0.456 1.00 0.00 C ATOM 973 C VAL A 342 4.252 10.163 1.015 1.00 0.00 C ATOM 974 O VAL A 342 5.306 10.097 1.644 1.00 0.00 O ATOM 975 CB VAL A 342 4.754 10.900 -1.329 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.790 10.471 -2.794 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.903 12.161 -1.192 1.00 0.00 C ATOM 0 H VAL A 342 2.348 10.088 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 342 4.870 8.894 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 342 5.763 11.129 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.170 11.290 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.442 9.604 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.783 10.212 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.313 12.947 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.880 11.944 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.908 12.493 -0.154 1.00 0.00 H new ATOM 987 N ALA A 343 3.109 10.581 1.568 1.00 0.00 N ATOM 988 CA ALA A 343 3.009 10.893 2.985 1.00 0.00 C ATOM 989 C ALA A 343 3.011 9.606 3.811 1.00 0.00 C ATOM 990 O ALA A 343 3.112 9.654 5.036 1.00 0.00 O ATOM 991 CB ALA A 343 1.732 11.692 3.242 1.00 0.00 C ATOM 0 H ALA A 343 2.241 10.709 1.048 1.00 0.00 H new ATOM 0 HA ALA A 343 3.869 11.492 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.657 11.926 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.760 12.618 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.867 11.103 2.938 1.00 0.00 H new ATOM 997 N ALA A 344 2.901 8.460 3.131 1.00 0.00 N ATOM 998 CA ALA A 344 2.943 7.145 3.745 1.00 0.00 C ATOM 999 C ALA A 344 4.177 6.356 3.289 1.00 0.00 C ATOM 1000 O ALA A 344 4.433 5.267 3.797 1.00 0.00 O ATOM 1001 CB ALA A 344 1.652 6.417 3.380 1.00 0.00 C ATOM 0 H ALA A 344 2.778 8.429 2.119 1.00 0.00 H new ATOM 0 HA ALA A 344 3.022 7.242 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.655 5.424 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.798 6.981 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.580 6.326 2.296 1.00 0.00 H new ATOM 1007 N MET A 345 4.943 6.900 2.336 1.00 0.00 N ATOM 1008 CA MET A 345 6.197 6.306 1.881 1.00 0.00 C ATOM 1009 C MET A 345 7.313 6.520 2.916 1.00 0.00 C ATOM 1010 O MET A 345 8.471 6.191 2.675 1.00 0.00 O ATOM 1011 CB MET A 345 6.558 6.928 0.527 1.00 0.00 C ATOM 1012 CG MET A 345 7.707 6.235 -0.208 1.00 0.00 C ATOM 1013 SD MET A 345 7.434 4.492 -0.632 1.00 0.00 S ATOM 1014 CE MET A 345 8.119 3.687 0.842 1.00 0.00 C ATOM 0 H MET A 345 4.705 7.770 1.859 1.00 0.00 H new ATOM 0 HA MET A 345 6.081 5.228 1.766 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.675 6.913 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.822 7.974 0.682 1.00 0.00 H new ATOM 0 HG2 MET A 345 7.911 6.785 -1.127 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.602 6.303 0.410 1.00 0.00 H new ATOM 0 HE1 MET A 345 8.126 2.607 0.696 1.00 0.00 H new ATOM 0 HE2 MET A 345 9.138 4.038 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.505 3.932 1.709 1.00 0.00 H new ATOM 1024 N SER A 346 6.964 7.078 4.080 1.00 0.00 N ATOM 1025 CA SER A 346 7.899 7.469 5.130 1.00 0.00 C ATOM 1026 C SER A 346 8.456 6.278 5.915 1.00 0.00 C ATOM 1027 O SER A 346 8.995 6.466 7.005 1.00 0.00 O ATOM 1028 CB SER A 346 7.186 8.434 6.079 1.00 0.00 C ATOM 1029 OG SER A 346 6.072 7.792 6.668 1.00 0.00 O ATOM 0 H SER A 346 5.992 7.274 4.321 1.00 0.00 H new ATOM 0 HA SER A 346 8.755 7.947 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 346 7.874 8.771 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 346 6.860 9.320 5.534 1.00 0.00 H new ATOM 0 HG SER A 346 5.620 8.414 7.276 1.00 0.00 H new ATOM 1035 N LYS A 347 8.334 5.058 5.380 1.00 0.00 N ATOM 1036 CA LYS A 347 8.735 3.842 6.078 1.00 0.00 C ATOM 1037 C LYS A 347 9.535 2.902 5.179 1.00 0.00 C ATOM 1038 O LYS A 347 9.540 1.697 5.415 1.00 0.00 O ATOM 1039 CB LYS A 347 7.498 3.136 6.646 1.00 0.00 C ATOM 1040 CG LYS A 347 6.834 3.935 7.770 1.00 0.00 C ATOM 1041 CD LYS A 347 7.765 4.055 8.980 1.00 0.00 C ATOM 1042 CE LYS A 347 7.064 4.781 10.125 1.00 0.00 C ATOM 1043 NZ LYS A 347 6.695 6.159 9.745 1.00 0.00 N ATOM 0 H LYS A 347 7.953 4.891 4.449 1.00 0.00 H new ATOM 0 HA LYS A 347 9.392 4.127 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.777 2.973 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.784 2.154 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.571 4.929 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.905 3.448 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.076 3.063 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.669 4.595 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.169 4.230 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.718 4.805 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 6.426 6.693 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 7.506 6.622 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 5.893 6.134 9.084 1.00 0.00 H new ATOM 1057 N ASP A 348 10.206 3.445 4.157 1.00 0.00 N ATOM 1058 CA ASP A 348 11.074 2.685 3.263 1.00 0.00 C ATOM 1059 C ASP A 348 11.901 1.667 4.049 1.00 0.00 C ATOM 1060 O ASP A 348 12.865 2.031 4.724 1.00 0.00 O ATOM 1061 CB ASP A 348 11.961 3.663 2.487 1.00 0.00 C ATOM 1062 CG ASP A 348 12.915 2.959 1.523 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.742 1.739 1.304 1.00 0.00 O ATOM 1064 OD2 ASP A 348 13.816 3.657 1.009 1.00 0.00 O ATOM 0 H ASP A 348 10.158 4.438 3.928 1.00 0.00 H new ATOM 0 HA ASP A 348 10.472 2.119 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.330 4.353 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.539 4.260 3.192 1.00 0.00 H new ATOM 1069 N ARG A 349 11.501 0.394 3.947 1.00 0.00 N ATOM 1070 CA ARG A 349 12.062 -0.744 4.671 1.00 0.00 C ATOM 1071 C ARG A 349 12.493 -0.410 6.106 1.00 0.00 C ATOM 1072 O ARG A 349 13.518 -0.889 6.587 1.00 0.00 O ATOM 1073 CB ARG A 349 13.116 -1.452 3.824 1.00 0.00 C ATOM 1074 CG ARG A 349 14.339 -0.597 3.538 1.00 0.00 C ATOM 1075 CD ARG A 349 15.072 -1.301 2.409 1.00 0.00 C ATOM 1076 NE ARG A 349 16.413 -0.743 2.202 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.663 0.491 1.753 1.00 0.00 C ATOM 1078 NH1 ARG A 349 15.674 1.331 1.459 1.00 0.00 N ATOM 1079 NH2 ARG A 349 17.924 0.893 1.594 1.00 0.00 N ATOM 0 H ARG A 349 10.740 0.120 3.326 1.00 0.00 H new ATOM 0 HA ARG A 349 11.263 -1.469 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.430 -2.362 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.666 -1.757 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.052 0.414 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.971 -0.509 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.151 -2.365 2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.495 -1.212 1.489 1.00 0.00 H new ATOM 0 HE ARG A 349 17.212 -1.340 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 349 14.704 1.037 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 349 15.886 2.269 1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.693 0.260 1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.120 1.834 1.252 1.00 0.00 H new ATOM 1093 N ALA A 350 11.687 0.422 6.776 1.00 0.00 N ATOM 1094 CA ALA A 350 11.861 0.843 8.160 1.00 0.00 C ATOM 1095 C ALA A 350 11.526 -0.296 9.133 1.00 0.00 C ATOM 1096 O ALA A 350 11.821 -1.459 8.866 1.00 0.00 O ATOM 1097 CB ALA A 350 10.968 2.064 8.404 1.00 0.00 C ATOM 0 H ALA A 350 10.861 0.835 6.344 1.00 0.00 H new ATOM 0 HA ALA A 350 12.903 1.108 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 350 11.082 2.398 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 350 11.259 2.868 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.927 1.796 8.222 1.00 0.00 H new ATOM 1103 N ASN A 351 10.905 0.039 10.270 1.00 0.00 N ATOM 1104 CA ASN A 351 10.501 -0.918 11.290 1.00 0.00 C ATOM 1105 C ASN A 351 9.045 -0.665 11.693 1.00 0.00 C ATOM 1106 O ASN A 351 8.435 0.299 11.235 1.00 0.00 O ATOM 1107 CB ASN A 351 11.451 -0.826 12.490 1.00 0.00 C ATOM 1108 CG ASN A 351 11.345 0.501 13.233 1.00 0.00 C ATOM 1109 OD1 ASN A 351 11.032 1.537 12.653 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.606 0.478 14.538 1.00 0.00 N ATOM 0 H ASN A 351 10.668 1.003 10.505 1.00 0.00 H new ATOM 0 HA ASN A 351 10.562 -1.932 10.894 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.235 -1.641 13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 351 12.476 -0.963 12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 351 11.548 1.337 15.085 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.863 -0.399 14.991 1.00 0.00 H new ATOM 1117 N MET A 352 8.480 -1.526 12.548 1.00 0.00 N ATOM 1118 CA MET A 352 7.063 -1.444 12.884 1.00 0.00 C ATOM 1119 C MET A 352 6.744 -1.999 14.272 1.00 0.00 C ATOM 1120 O MET A 352 5.866 -1.470 14.950 1.00 0.00 O ATOM 1121 CB MET A 352 6.313 -2.258 11.831 1.00 0.00 C ATOM 1122 CG MET A 352 4.804 -2.255 12.058 1.00 0.00 C ATOM 1123 SD MET A 352 3.899 -3.089 10.731 1.00 0.00 S ATOM 1124 CE MET A 352 2.245 -3.058 11.457 1.00 0.00 C ATOM 0 H MET A 352 8.983 -2.281 13.014 1.00 0.00 H new ATOM 0 HA MET A 352 6.764 -0.396 12.897 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.529 -1.854 10.842 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.677 -3.285 11.843 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.582 -2.743 13.007 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.455 -1.226 12.140 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.499 -3.123 10.665 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.129 -3.904 12.135 1.00 0.00 H new ATOM 0 HE3 MET A 352 2.108 -2.128 12.009 1.00 0.00 H new ATOM 1134 N GLN A 353 7.445 -3.052 14.703 1.00 0.00 N ATOM 1135 CA GLN A 353 7.189 -3.665 16.003 1.00 0.00 C ATOM 1136 C GLN A 353 8.367 -4.505 16.483 1.00 0.00 C ATOM 1137 O GLN A 353 8.740 -4.446 17.654 1.00 0.00 O ATOM 1138 CB GLN A 353 5.958 -4.568 15.906 1.00 0.00 C ATOM 1139 CG GLN A 353 6.029 -5.601 14.774 1.00 0.00 C ATOM 1140 CD GLN A 353 4.679 -6.278 14.592 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.597 -7.496 14.461 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.611 -5.485 14.585 1.00 0.00 N ATOM 0 H GLN A 353 8.193 -3.495 14.169 1.00 0.00 H new ATOM 0 HA GLN A 353 7.029 -2.858 16.718 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.828 -5.091 16.854 1.00 0.00 H new ATOM 0 HB3 GLN A 353 5.075 -3.946 15.762 1.00 0.00 H new ATOM 0 HG2 GLN A 353 6.327 -5.114 13.846 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.790 -6.347 15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.723 -4.477 14.697 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.680 -5.885 14.468 1.00 0.00 H new ATOM 1151 N HIS A 354 8.944 -5.285 15.568 1.00 0.00 N ATOM 1152 CA HIS A 354 9.931 -6.299 15.900 1.00 0.00 C ATOM 1153 C HIS A 354 10.599 -6.869 14.636 1.00 0.00 C ATOM 1154 O HIS A 354 11.410 -7.789 14.722 1.00 0.00 O ATOM 1155 CB HIS A 354 9.181 -7.370 16.698 1.00 0.00 C ATOM 1156 CG HIS A 354 9.986 -8.598 17.010 1.00 0.00 C ATOM 1157 ND1 HIS A 354 11.000 -8.719 17.932 1.00 0.00 N ATOM 1158 CD2 HIS A 354 9.828 -9.817 16.418 1.00 0.00 C ATOM 1159 CE1 HIS A 354 11.440 -9.989 17.886 1.00 0.00 C ATOM 1160 NE2 HIS A 354 10.754 -10.705 16.975 1.00 0.00 N ATOM 0 H HIS A 354 8.735 -5.226 14.571 1.00 0.00 H new ATOM 0 HA HIS A 354 10.749 -5.885 16.489 1.00 0.00 H new ATOM 0 HB2 HIS A 354 8.836 -6.931 17.634 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.294 -7.666 16.138 1.00 0.00 H new ATOM 0 HD2 HIS A 354 9.109 -10.056 15.649 1.00 0.00 H new ATOM 0 HE1 HIS A 354 12.238 -10.382 18.499 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.883 -11.689 16.740 1.00 0.00 H new ATOM 1168 N ARG A 355 10.264 -6.328 13.457 1.00 0.00 N ATOM 1169 CA ARG A 355 10.798 -6.760 12.172 1.00 0.00 C ATOM 1170 C ARG A 355 11.098 -5.526 11.328 1.00 0.00 C ATOM 1171 O ARG A 355 10.565 -4.451 11.597 1.00 0.00 O ATOM 1172 CB ARG A 355 9.777 -7.630 11.425 1.00 0.00 C ATOM 1173 CG ARG A 355 9.695 -9.071 11.936 1.00 0.00 C ATOM 1174 CD ARG A 355 8.753 -9.235 13.133 1.00 0.00 C ATOM 1175 NE ARG A 355 7.360 -8.924 12.787 1.00 0.00 N ATOM 1176 CZ ARG A 355 6.544 -9.761 12.140 1.00 0.00 C ATOM 1177 NH1 ARG A 355 6.967 -10.961 11.755 1.00 0.00 N ATOM 1178 NH2 ARG A 355 5.292 -9.397 11.874 1.00 0.00 N ATOM 0 H ARG A 355 9.598 -5.560 13.376 1.00 0.00 H new ATOM 0 HA ARG A 355 11.702 -7.344 12.343 1.00 0.00 H new ATOM 0 HB2 ARG A 355 8.793 -7.169 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 355 10.034 -7.645 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 355 9.359 -9.718 11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 355 10.693 -9.407 12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 355 8.814 -10.258 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 355 9.079 -8.582 13.943 1.00 0.00 H new ATOM 0 HE ARG A 355 6.992 -8.012 13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 355 7.924 -11.252 11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 355 6.334 -11.591 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 355 4.955 -8.479 12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 355 4.669 -10.036 11.380 1.00 0.00 H new ATOM 1192 N TYR A 356 11.948 -5.678 10.310 1.00 0.00 N ATOM 1193 CA TYR A 356 12.287 -4.578 9.420 1.00 0.00 C ATOM 1194 C TYR A 356 11.269 -4.508 8.279 1.00 0.00 C ATOM 1195 O TYR A 356 11.591 -4.712 7.113 1.00 0.00 O ATOM 1196 CB TYR A 356 13.773 -4.622 9.021 1.00 0.00 C ATOM 1197 CG TYR A 356 14.199 -5.297 7.730 1.00 0.00 C ATOM 1198 CD1 TYR A 356 14.501 -6.669 7.678 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.305 -4.517 6.567 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.909 -7.251 6.468 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.714 -5.095 5.357 1.00 0.00 C ATOM 1202 CZ TYR A 356 15.020 -6.468 5.302 1.00 0.00 C ATOM 1203 OH TYR A 356 15.422 -7.031 4.128 1.00 0.00 O ATOM 0 H TYR A 356 12.413 -6.558 10.085 1.00 0.00 H new ATOM 0 HA TYR A 356 12.200 -3.619 9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 356 14.126 -3.592 8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 356 14.311 -5.110 9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 356 14.419 -7.275 8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.070 -3.464 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 356 15.139 -8.305 6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.794 -4.487 4.468 1.00 0.00 H new ATOM 0 HH TYR A 356 15.442 -6.347 3.427 1.00 0.00 H new ATOM 1213 N ILE A 357 10.012 -4.216 8.633 1.00 0.00 N ATOM 1214 CA ILE A 357 8.897 -4.170 7.695 1.00 0.00 C ATOM 1215 C ILE A 357 9.204 -3.222 6.541 1.00 0.00 C ATOM 1216 O ILE A 357 9.944 -2.254 6.704 1.00 0.00 O ATOM 1217 CB ILE A 357 7.622 -3.741 8.429 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.323 -4.659 9.621 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.428 -3.761 7.472 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.185 -6.125 9.222 1.00 0.00 C ATOM 0 H ILE A 357 9.743 -4.003 9.593 1.00 0.00 H new ATOM 0 HA ILE A 357 8.744 -5.165 7.277 1.00 0.00 H new ATOM 0 HB ILE A 357 7.784 -2.729 8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.121 -4.562 10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.402 -4.331 10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.529 -3.454 8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.612 -3.074 6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.292 -4.769 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.974 -6.725 10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.369 -6.232 8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 357 8.114 -6.467 8.765 1.00 0.00 H new ATOM 1232 N GLU A 358 8.634 -3.498 5.367 1.00 0.00 N ATOM 1233 CA GLU A 358 8.953 -2.737 4.172 1.00 0.00 C ATOM 1234 C GLU A 358 7.701 -2.472 3.349 1.00 0.00 C ATOM 1235 O GLU A 358 6.728 -3.221 3.426 1.00 0.00 O ATOM 1236 CB GLU A 358 9.964 -3.516 3.320 1.00 0.00 C ATOM 1237 CG GLU A 358 11.056 -4.189 4.151 1.00 0.00 C ATOM 1238 CD GLU A 358 12.058 -4.923 3.265 1.00 0.00 C ATOM 1239 OE1 GLU A 358 12.949 -4.242 2.713 1.00 0.00 O ATOM 1240 OE2 GLU A 358 11.924 -6.160 3.146 1.00 0.00 O ATOM 0 H GLU A 358 7.951 -4.242 5.225 1.00 0.00 H new ATOM 0 HA GLU A 358 9.380 -1.782 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.435 -4.275 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.427 -2.836 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.576 -3.439 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.602 -4.892 4.849 1.00 0.00 H new ATOM 1247 N LEU A 359 7.733 -1.397 2.558 1.00 0.00 N ATOM 1248 CA LEU A 359 6.650 -1.067 1.650 1.00 0.00 C ATOM 1249 C LEU A 359 7.206 -0.402 0.390 1.00 0.00 C ATOM 1250 O LEU A 359 8.215 0.295 0.442 1.00 0.00 O ATOM 1251 CB LEU A 359 5.569 -0.277 2.397 1.00 0.00 C ATOM 1252 CG LEU A 359 5.875 1.149 2.873 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.303 1.406 3.347 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.500 2.139 1.777 1.00 0.00 C ATOM 0 H LEU A 359 8.511 -0.738 2.534 1.00 0.00 H new ATOM 0 HA LEU A 359 6.147 -1.965 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.694 -0.225 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.283 -0.860 3.272 1.00 0.00 H new ATOM 0 HG LEU A 359 5.266 1.287 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.401 2.446 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.530 0.752 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.999 1.204 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.717 3.153 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.078 1.923 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.437 2.050 1.554 1.00 0.00 H new ATOM 1266 N PHE A 360 6.544 -0.622 -0.749 1.00 0.00 N ATOM 1267 CA PHE A 360 7.113 -0.328 -2.058 1.00 0.00 C ATOM 1268 C PHE A 360 6.069 0.393 -2.914 1.00 0.00 C ATOM 1269 O PHE A 360 5.017 -0.170 -3.215 1.00 0.00 O ATOM 1270 CB PHE A 360 7.554 -1.667 -2.680 1.00 0.00 C ATOM 1271 CG PHE A 360 8.901 -1.683 -3.380 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.196 -0.729 -4.363 1.00 0.00 C ATOM 1273 CD2 PHE A 360 9.864 -2.660 -3.057 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.427 -0.764 -5.034 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.078 -2.708 -3.740 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.366 -1.758 -4.727 1.00 0.00 C ATOM 0 H PHE A 360 5.601 -1.008 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 360 7.978 0.332 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.572 -2.419 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.794 -1.975 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.473 0.036 -4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.660 -3.376 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.652 -0.024 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 360 11.797 -3.479 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.310 -1.791 -5.251 1.00 0.00 H new ATOM 1286 N LEU A 361 6.365 1.639 -3.300 1.00 0.00 N ATOM 1287 CA LEU A 361 5.439 2.528 -3.996 1.00 0.00 C ATOM 1288 C LEU A 361 4.869 1.888 -5.269 1.00 0.00 C ATOM 1289 O LEU A 361 5.589 1.202 -5.992 1.00 0.00 O ATOM 1290 CB LEU A 361 6.184 3.832 -4.318 1.00 0.00 C ATOM 1291 CG LEU A 361 5.366 5.098 -4.035 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.210 6.321 -4.385 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.074 5.155 -4.845 1.00 0.00 C ATOM 0 H LEU A 361 7.277 2.063 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 361 4.583 2.730 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.104 3.867 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.473 3.825 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 361 5.098 5.083 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.637 7.227 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.115 6.324 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.481 6.286 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.535 6.071 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.311 5.141 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.453 4.294 -4.600 1.00 0.00 H new ATOM 1305 N ASN A 362 3.578 2.113 -5.540 1.00 0.00 N ATOM 1306 CA ASN A 362 2.898 1.613 -6.721 1.00 0.00 C ATOM 1307 C ASN A 362 1.820 2.607 -7.177 1.00 0.00 C ATOM 1308 O ASN A 362 0.661 2.250 -7.398 1.00 0.00 O ATOM 1309 CB ASN A 362 2.329 0.233 -6.400 1.00 0.00 C ATOM 1310 CG ASN A 362 1.728 -0.411 -7.634 1.00 0.00 C ATOM 1311 OD1 ASN A 362 2.238 -0.260 -8.741 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.634 -1.136 -7.448 1.00 0.00 N ATOM 0 H ASN A 362 2.973 2.659 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 362 3.593 1.512 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.118 -0.405 -6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.568 0.322 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 362 0.184 -1.593 -8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.242 -1.237 -6.512 1.00 0.00 H new ATOM 1319 N SER A 363 2.206 3.878 -7.319 1.00 0.00 N ATOM 1320 CA SER A 363 1.324 4.912 -7.840 1.00 0.00 C ATOM 1321 C SER A 363 2.136 6.090 -8.363 1.00 0.00 C ATOM 1322 O SER A 363 3.355 6.136 -8.196 1.00 0.00 O ATOM 1323 CB SER A 363 0.375 5.397 -6.745 1.00 0.00 C ATOM 1324 OG SER A 363 1.084 6.110 -5.753 1.00 0.00 O ATOM 0 H SER A 363 3.138 4.213 -7.075 1.00 0.00 H new ATOM 0 HA SER A 363 0.744 4.486 -8.659 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.394 6.035 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 363 -0.135 4.545 -6.294 1.00 0.00 H new ATOM 0 HG SER A 363 0.461 6.415 -5.061 1.00 0.00 H new ATOM 1330 N THR A 364 1.457 7.048 -8.998 1.00 0.00 N ATOM 1331 CA THR A 364 2.085 8.281 -9.449 1.00 0.00 C ATOM 1332 C THR A 364 1.058 9.408 -9.484 1.00 0.00 C ATOM 1333 O THR A 364 -0.148 9.166 -9.442 1.00 0.00 O ATOM 1334 CB THR A 364 2.755 8.077 -10.809 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.544 9.206 -11.118 1.00 0.00 O ATOM 1336 CG2 THR A 364 1.708 7.898 -11.899 1.00 0.00 C ATOM 0 H THR A 364 0.461 6.987 -9.211 1.00 0.00 H new ATOM 0 HA THR A 364 2.866 8.564 -8.744 1.00 0.00 H new ATOM 0 HB THR A 364 3.377 7.183 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.975 9.076 -11.988 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.203 7.754 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.093 7.026 -11.674 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.076 8.785 -11.946 1.00 0.00 H new ATOM 1344 N THR A 365 1.549 10.645 -9.563 1.00 0.00 N ATOM 1345 CA THR A 365 0.755 11.868 -9.552 1.00 0.00 C ATOM 1346 C THR A 365 -0.024 12.083 -10.858 1.00 0.00 C ATOM 1347 O THR A 365 -0.409 13.209 -11.172 1.00 0.00 O ATOM 1348 CB THR A 365 1.700 13.036 -9.250 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.996 14.254 -9.153 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.774 13.143 -10.330 1.00 0.00 C ATOM 0 H THR A 365 2.550 10.827 -9.639 1.00 0.00 H new ATOM 0 HA THR A 365 -0.010 11.794 -8.779 1.00 0.00 H new ATOM 0 HB THR A 365 2.174 12.839 -8.289 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.327 14.303 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.438 13.977 -10.102 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.351 12.219 -10.362 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.301 13.310 -11.298 1.00 0.00 H new