USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 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 353 GLN : amide:sc= 0.156 X(o=0.055,f=-0.12) USER MOD Set 1.2: A 354 HIS : no HD1:sc= -0.101 X(o=0.055,f=-0.066) USER MOD Set 2.1: A 338 HIS : no HD1:sc= 0.49 K(o=1.1,f=-3.4!) USER MOD Set 2.2: A 363 SER OG : rot 80:sc= 0.65 USER MOD Set 3.1: A 301 THR OG1 : rot 58:sc= 0.649 USER MOD Set 3.2: A 303 ASN :FLIP amide:sc= 0.563 F(o=-2.3!,f=1.2) USER MOD Set 4.1: A 290 CYS SG : rot 15:sc= 1.88 USER MOD Set 4.2: A 362 ASN : amide:sc= 1.29 K(o=3.2,f=0.75) USER MOD Single : A 289 HIS :FLIP no HD1:sc= -1.6 F(o=-2.6!,f=-1.6) USER MOD Single : A 292 HIS : no HD1:sc=-0.000936 X(o=-0.00094,f=0) USER MOD Single : A 293 MET CE :methyl -178:sc= -0.303 (180deg=-0.323) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.648 K(o=0.65,f=-0.25) USER MOD Single : A 310 SER OG : rot 32:sc= 1.18 USER MOD Single : A 313 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 318 HIS : no HE2:sc= 0.661 K(o=0.66,f=-3.1!) USER MOD Single : A 337 THR OG1 : rot -11:sc= 1.1 USER MOD Single : A 345 MET CE :methyl -173:sc= -3.13! (180deg=-3.56!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ -179:sc= 0.46 (180deg=0.459) USER MOD Single : A 351 ASN : amide:sc= 0.261 K(o=0.26,f=-3.8!) USER MOD Single : A 352 MET CE :methyl 170:sc= -0.101 (180deg=-0.36) USER MOD Single : A 356 TYR OH : rot -43:sc= 0.338 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.748 5.468 -6.156 1.00 0.00 N ATOM 160 CA HIS A 289 -3.292 5.460 -6.090 1.00 0.00 C ATOM 161 C HIS A 289 -2.876 4.367 -5.113 1.00 0.00 C ATOM 162 O HIS A 289 -3.583 4.138 -4.136 1.00 0.00 O ATOM 163 CB HIS A 289 -2.838 6.846 -5.621 1.00 0.00 C ATOM 164 CG HIS A 289 -3.200 7.938 -6.594 1.00 0.00 C ATOM 165 ND1 HIS A 289 -4.449 8.454 -6.812 1.00 0.00 N flip ATOM 166 CD2 HIS A 289 -2.336 8.604 -7.434 1.00 0.00 C flip ATOM 167 CE1 HIS A 289 -4.352 9.444 -7.797 1.00 0.00 C flip ATOM 168 NE2 HIS A 289 -3.054 9.493 -8.141 1.00 0.00 N flip ATOM 0 HA HIS A 289 -2.832 5.253 -7.056 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.290 7.063 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.758 6.839 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -1.271 8.441 -7.511 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -5.155 10.045 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -2.666 10.121 -8.845 1.00 0.00 H new ATOM 176 N CYS A 290 -1.749 3.677 -5.338 1.00 0.00 N ATOM 177 CA CYS A 290 -1.433 2.543 -4.481 1.00 0.00 C ATOM 178 C CYS A 290 0.057 2.398 -4.191 1.00 0.00 C ATOM 179 O CYS A 290 0.896 3.081 -4.774 1.00 0.00 O ATOM 180 CB CYS A 290 -2.020 1.272 -5.103 1.00 0.00 C ATOM 181 SG CYS A 290 -1.477 1.097 -6.820 1.00 0.00 S ATOM 0 H CYS A 290 -1.072 3.877 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.889 2.720 -3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.709 0.401 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -3.109 1.309 -5.062 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.480 1.901 -7.044 1.00 0.00 H new ATOM 187 N VAL A 291 0.363 1.484 -3.266 1.00 0.00 N ATOM 188 CA VAL A 291 1.708 1.201 -2.788 1.00 0.00 C ATOM 189 C VAL A 291 1.772 -0.274 -2.398 1.00 0.00 C ATOM 190 O VAL A 291 0.815 -0.809 -1.839 1.00 0.00 O ATOM 191 CB VAL A 291 1.991 2.089 -1.566 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.405 1.887 -1.031 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.840 3.565 -1.925 1.00 0.00 C ATOM 0 H VAL A 291 -0.347 0.904 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 291 2.452 1.407 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 291 1.268 1.801 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.563 2.533 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.536 0.846 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.127 2.137 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.045 4.176 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.544 3.821 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.823 3.754 -2.269 1.00 0.00 H new ATOM 203 N HIS A 292 2.893 -0.938 -2.689 1.00 0.00 N ATOM 204 CA HIS A 292 3.078 -2.336 -2.327 1.00 0.00 C ATOM 205 C HIS A 292 3.607 -2.432 -0.898 1.00 0.00 C ATOM 206 O HIS A 292 4.103 -1.447 -0.358 1.00 0.00 O ATOM 207 CB HIS A 292 4.074 -2.977 -3.294 1.00 0.00 C ATOM 208 CG HIS A 292 3.629 -2.920 -4.730 1.00 0.00 C ATOM 209 ND1 HIS A 292 4.344 -2.398 -5.784 1.00 0.00 N ATOM 210 CD2 HIS A 292 2.440 -3.375 -5.234 1.00 0.00 C ATOM 211 CE1 HIS A 292 3.601 -2.543 -6.896 1.00 0.00 C ATOM 212 NE2 HIS A 292 2.426 -3.133 -6.612 1.00 0.00 N ATOM 0 H HIS A 292 3.687 -0.523 -3.177 1.00 0.00 H new ATOM 0 HA HIS A 292 2.124 -2.860 -2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 292 5.037 -2.475 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.228 -4.018 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.649 -3.841 -4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 292 3.906 -2.228 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 292 1.678 -3.358 -7.267 1.00 0.00 H new ATOM 220 N MET A 293 3.508 -3.612 -0.278 1.00 0.00 N ATOM 221 CA MET A 293 4.036 -3.829 1.061 1.00 0.00 C ATOM 222 C MET A 293 4.386 -5.297 1.267 1.00 0.00 C ATOM 223 O MET A 293 3.507 -6.158 1.225 1.00 0.00 O ATOM 224 CB MET A 293 2.997 -3.380 2.094 1.00 0.00 C ATOM 225 CG MET A 293 3.337 -3.855 3.507 1.00 0.00 C ATOM 226 SD MET A 293 2.111 -3.362 4.742 1.00 0.00 S ATOM 227 CE MET A 293 2.927 -4.002 6.223 1.00 0.00 C ATOM 0 H MET A 293 3.063 -4.432 -0.690 1.00 0.00 H new ATOM 0 HA MET A 293 4.947 -3.243 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.927 -2.292 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.017 -3.764 1.810 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.425 -4.941 3.506 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.311 -3.456 3.792 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.296 -3.821 7.093 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.094 -5.073 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.884 -3.498 6.358 1.00 0.00 H new ATOM 237 N ARG A 294 5.670 -5.600 1.492 1.00 0.00 N ATOM 238 CA ARG A 294 6.019 -6.950 1.895 1.00 0.00 C ATOM 239 C ARG A 294 5.333 -7.164 3.231 1.00 0.00 C ATOM 240 O ARG A 294 5.403 -6.296 4.107 1.00 0.00 O ATOM 241 CB ARG A 294 7.531 -7.164 1.951 1.00 0.00 C ATOM 242 CG ARG A 294 8.191 -6.741 3.265 1.00 0.00 C ATOM 243 CD ARG A 294 8.025 -7.746 4.416 1.00 0.00 C ATOM 244 NE ARG A 294 8.719 -9.004 4.144 1.00 0.00 N ATOM 245 CZ ARG A 294 8.800 -10.027 4.996 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.211 -9.974 6.189 1.00 0.00 N ATOM 247 NH2 ARG A 294 9.478 -11.119 4.649 1.00 0.00 N ATOM 0 H ARG A 294 6.452 -4.951 1.404 1.00 0.00 H new ATOM 0 HA ARG A 294 5.681 -7.688 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.741 -8.220 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 294 7.993 -6.610 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 294 9.255 -6.584 3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 294 7.774 -5.782 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 294 8.411 -7.310 5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 294 6.965 -7.943 4.576 1.00 0.00 H new ATOM 0 HE ARG A 294 9.174 -9.107 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 294 7.688 -9.142 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 294 8.283 -10.765 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 294 9.931 -11.169 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 294 9.544 -11.905 5.296 1.00 0.00 H new ATOM 261 N GLY A 295 4.679 -8.317 3.367 1.00 0.00 N ATOM 262 CA GLY A 295 3.679 -8.505 4.399 1.00 0.00 C ATOM 263 C GLY A 295 4.256 -8.607 5.802 1.00 0.00 C ATOM 264 O GLY A 295 5.377 -9.073 6.006 1.00 0.00 O ATOM 0 H GLY A 295 4.829 -9.131 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 295 2.975 -7.673 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 295 3.113 -9.411 4.182 1.00 0.00 H new ATOM 268 N LEU A 296 3.455 -8.160 6.768 1.00 0.00 N ATOM 269 CA LEU A 296 3.706 -8.363 8.183 1.00 0.00 C ATOM 270 C LEU A 296 3.738 -9.869 8.467 1.00 0.00 C ATOM 271 O LEU A 296 3.412 -10.667 7.588 1.00 0.00 O ATOM 272 CB LEU A 296 2.655 -7.591 8.991 1.00 0.00 C ATOM 273 CG LEU A 296 1.265 -8.231 9.014 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.288 -7.249 9.657 1.00 0.00 C ATOM 275 CD2 LEU A 296 0.735 -8.557 7.626 1.00 0.00 C ATOM 0 H LEU A 296 2.599 -7.638 6.580 1.00 0.00 H new ATOM 0 HA LEU A 296 4.676 -7.970 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.009 -7.488 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.569 -6.585 8.581 1.00 0.00 H new ATOM 0 HG LEU A 296 1.353 -9.163 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -0.708 -7.690 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.611 -7.027 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.263 -6.327 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.254 -9.008 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 296 0.667 -7.642 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 296 1.411 -9.255 7.133 1.00 0.00 H new ATOM 344 N ALA A 300 -0.796 -11.619 11.837 1.00 0.00 N ATOM 345 CA ALA A 300 -1.298 -10.272 12.084 1.00 0.00 C ATOM 346 C ALA A 300 -2.172 -9.801 10.917 1.00 0.00 C ATOM 347 O ALA A 300 -2.336 -10.529 9.937 1.00 0.00 O ATOM 348 CB ALA A 300 -0.110 -9.336 12.295 1.00 0.00 C ATOM 0 HA ALA A 300 -1.921 -10.268 12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -0.472 -8.325 12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 300 0.473 -9.676 13.151 1.00 0.00 H new ATOM 0 HB3 ALA A 300 0.518 -9.339 11.404 1.00 0.00 H new ATOM 354 N THR A 301 -2.736 -8.590 11.014 1.00 0.00 N ATOM 355 CA THR A 301 -3.710 -8.110 10.037 1.00 0.00 C ATOM 356 C THR A 301 -3.637 -6.609 9.771 1.00 0.00 C ATOM 357 O THR A 301 -2.878 -5.855 10.381 1.00 0.00 O ATOM 358 CB THR A 301 -5.134 -8.449 10.499 1.00 0.00 C ATOM 359 OG1 THR A 301 -5.237 -8.387 11.904 1.00 0.00 O ATOM 360 CG2 THR A 301 -5.527 -9.842 10.028 1.00 0.00 C ATOM 0 H THR A 301 -2.531 -7.927 11.762 1.00 0.00 H new ATOM 0 HA THR A 301 -3.461 -8.618 9.106 1.00 0.00 H new ATOM 0 HB THR A 301 -5.809 -7.713 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.984 -7.491 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 301 -6.539 -10.067 10.364 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.488 -9.882 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.835 -10.575 10.443 1.00 0.00 H new ATOM 368 N GLU A 302 -4.475 -6.203 8.817 1.00 0.00 N ATOM 369 CA GLU A 302 -4.642 -4.838 8.354 1.00 0.00 C ATOM 370 C GLU A 302 -4.826 -3.830 9.485 1.00 0.00 C ATOM 371 O GLU A 302 -4.472 -2.663 9.325 1.00 0.00 O ATOM 372 CB GLU A 302 -5.843 -4.805 7.408 1.00 0.00 C ATOM 373 CG GLU A 302 -7.169 -4.872 8.163 1.00 0.00 C ATOM 374 CD GLU A 302 -8.335 -5.167 7.221 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.401 -6.313 6.727 1.00 0.00 O ATOM 376 OE2 GLU A 302 -9.151 -4.244 7.003 1.00 0.00 O ATOM 0 H GLU A 302 -5.084 -6.857 8.325 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.727 -4.539 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.811 -3.892 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.779 -5.642 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -7.114 -5.645 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.345 -3.927 8.676 1.00 0.00 H new ATOM 383 N ASN A 303 -5.374 -4.270 10.624 1.00 0.00 N ATOM 384 CA ASN A 303 -5.608 -3.402 11.769 1.00 0.00 C ATOM 385 C ASN A 303 -4.314 -2.779 12.298 1.00 0.00 C ATOM 386 O ASN A 303 -4.364 -1.830 13.079 1.00 0.00 O ATOM 387 CB ASN A 303 -6.342 -4.167 12.869 1.00 0.00 C ATOM 388 CG ASN A 303 -5.382 -5.035 13.661 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.509 -5.745 12.956 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -5.422 -5.069 14.888 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.665 -5.237 10.771 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.237 -2.577 11.435 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.838 -3.463 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -7.120 -4.789 12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -6.109 -4.508 15.392 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.768 -5.659 15.403 1.00 0.00 H new ATOM 397 N ASP A 304 -3.158 -3.307 11.878 1.00 0.00 N ATOM 398 CA ASP A 304 -1.872 -2.745 12.247 1.00 0.00 C ATOM 399 C ASP A 304 -1.144 -2.186 11.029 1.00 0.00 C ATOM 400 O ASP A 304 -0.259 -1.346 11.171 1.00 0.00 O ATOM 401 CB ASP A 304 -1.037 -3.816 12.951 1.00 0.00 C ATOM 402 CG ASP A 304 0.184 -3.210 13.639 1.00 0.00 C ATOM 403 OD1 ASP A 304 0.018 -2.149 14.279 1.00 0.00 O ATOM 404 OD2 ASP A 304 1.273 -3.813 13.520 1.00 0.00 O ATOM 0 H ASP A 304 -3.097 -4.129 11.278 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.030 -1.912 12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.652 -4.333 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.714 -4.563 12.225 1.00 0.00 H new ATOM 409 N ILE A 305 -1.510 -2.644 9.831 1.00 0.00 N ATOM 410 CA ILE A 305 -0.915 -2.139 8.601 1.00 0.00 C ATOM 411 C ILE A 305 -1.233 -0.662 8.391 1.00 0.00 C ATOM 412 O ILE A 305 -0.322 0.140 8.192 1.00 0.00 O ATOM 413 CB ILE A 305 -1.467 -2.941 7.431 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.964 -4.383 7.537 1.00 0.00 C ATOM 415 CG2 ILE A 305 -1.057 -2.303 6.099 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.458 -5.222 6.364 1.00 0.00 C ATOM 0 H ILE A 305 -2.217 -3.365 9.690 1.00 0.00 H new ATOM 0 HA ILE A 305 0.168 -2.244 8.669 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.556 -2.942 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.126 -4.391 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.307 -4.823 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.461 -2.891 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.448 -1.287 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.030 -2.277 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.086 -6.242 6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.548 -5.232 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.093 -4.793 5.431 1.00 0.00 H new ATOM 428 N TYR A 306 -2.516 -0.286 8.434 1.00 0.00 N ATOM 429 CA TYR A 306 -2.891 1.106 8.237 1.00 0.00 C ATOM 430 C TYR A 306 -2.502 1.941 9.454 1.00 0.00 C ATOM 431 O TYR A 306 -2.777 3.138 9.505 1.00 0.00 O ATOM 432 CB TYR A 306 -4.379 1.233 7.888 1.00 0.00 C ATOM 433 CG TYR A 306 -5.366 0.715 8.915 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.447 1.306 10.188 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.215 -0.356 8.592 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.372 0.833 11.131 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.158 -0.816 9.521 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.237 -0.228 10.799 1.00 0.00 C ATOM 439 OH TYR A 306 -8.144 -0.684 11.708 1.00 0.00 O ATOM 0 H TYR A 306 -3.297 -0.920 8.601 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.338 1.501 7.385 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.597 2.285 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.555 0.705 6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -4.794 2.128 10.441 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -6.141 -0.827 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -6.421 1.283 12.112 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.826 -1.623 9.257 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.661 -1.418 11.315 1.00 0.00 H new ATOM 449 N ASN A 307 -1.858 1.302 10.435 1.00 0.00 N ATOM 450 CA ASN A 307 -1.402 1.941 11.653 1.00 0.00 C ATOM 451 C ASN A 307 0.132 1.944 11.696 1.00 0.00 C ATOM 452 O ASN A 307 0.731 2.494 12.620 1.00 0.00 O ATOM 453 CB ASN A 307 -2.038 1.166 12.805 1.00 0.00 C ATOM 454 CG ASN A 307 -1.408 1.491 14.144 1.00 0.00 C ATOM 455 OD1 ASN A 307 -1.584 2.579 14.686 1.00 0.00 O ATOM 456 ND2 ASN A 307 -0.663 0.531 14.680 1.00 0.00 N ATOM 0 H ASN A 307 -1.639 0.307 10.395 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.699 2.988 11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.104 1.391 12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.945 0.097 12.614 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -0.208 0.681 15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -0.546 -0.357 14.191 1.00 0.00 H new ATOM 463 N PHE A 308 0.767 1.328 10.692 1.00 0.00 N ATOM 464 CA PHE A 308 2.214 1.299 10.541 1.00 0.00 C ATOM 465 C PHE A 308 2.666 2.222 9.412 1.00 0.00 C ATOM 466 O PHE A 308 3.817 2.655 9.392 1.00 0.00 O ATOM 467 CB PHE A 308 2.640 -0.146 10.260 1.00 0.00 C ATOM 468 CG PHE A 308 3.642 -0.323 9.137 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.184 -0.499 7.823 1.00 0.00 C ATOM 470 CD2 PHE A 308 5.019 -0.316 9.402 1.00 0.00 C ATOM 471 CE1 PHE A 308 4.099 -0.672 6.776 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.933 -0.497 8.355 1.00 0.00 C ATOM 473 CZ PHE A 308 5.474 -0.669 7.042 1.00 0.00 C ATOM 0 H PHE A 308 0.274 0.829 9.952 1.00 0.00 H new ATOM 0 HA PHE A 308 2.684 1.655 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.065 -0.565 11.172 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.750 -0.730 10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.124 -0.501 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.375 -0.171 10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.744 -0.808 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.993 -0.504 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.180 -0.799 6.236 1.00 0.00 H new ATOM 483 N PHE A 309 1.767 2.527 8.472 1.00 0.00 N ATOM 484 CA PHE A 309 2.086 3.391 7.349 1.00 0.00 C ATOM 485 C PHE A 309 2.128 4.858 7.775 1.00 0.00 C ATOM 486 O PHE A 309 3.175 5.492 7.668 1.00 0.00 O ATOM 487 CB PHE A 309 1.030 3.196 6.260 1.00 0.00 C ATOM 488 CG PHE A 309 1.506 2.395 5.070 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.266 3.027 4.079 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.191 1.033 4.946 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.665 2.323 2.940 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.615 0.319 3.814 1.00 0.00 C ATOM 493 CZ PHE A 309 2.336 0.970 2.804 1.00 0.00 C ATOM 0 H PHE A 309 0.807 2.182 8.474 1.00 0.00 H new ATOM 0 HA PHE A 309 3.073 3.125 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.163 2.698 6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.696 4.174 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.545 4.064 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.624 0.536 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.227 2.823 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.385 -0.732 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.638 0.427 1.920 1.00 0.00 H new ATOM 503 N SER A 310 0.996 5.391 8.253 1.00 0.00 N ATOM 504 CA SER A 310 0.850 6.796 8.626 1.00 0.00 C ATOM 505 C SER A 310 -0.559 7.065 9.163 1.00 0.00 C ATOM 506 O SER A 310 -1.462 6.254 8.955 1.00 0.00 O ATOM 507 CB SER A 310 1.100 7.668 7.392 1.00 0.00 C ATOM 508 OG SER A 310 2.472 7.975 7.294 1.00 0.00 O ATOM 0 H SER A 310 0.145 4.846 8.392 1.00 0.00 H new ATOM 0 HA SER A 310 1.572 7.034 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.770 7.146 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.517 8.586 7.460 1.00 0.00 H new ATOM 0 HG SER A 310 3.000 7.232 7.654 1.00 0.00 H new ATOM 514 N PRO A 311 -0.756 8.199 9.854 1.00 0.00 N ATOM 515 CA PRO A 311 -2.019 8.593 10.469 1.00 0.00 C ATOM 516 C PRO A 311 -3.099 9.013 9.463 1.00 0.00 C ATOM 517 O PRO A 311 -4.099 9.609 9.858 1.00 0.00 O ATOM 518 CB PRO A 311 -1.654 9.748 11.407 1.00 0.00 C ATOM 519 CG PRO A 311 -0.471 10.401 10.699 1.00 0.00 C ATOM 520 CD PRO A 311 0.265 9.203 10.108 1.00 0.00 C ATOM 0 HA PRO A 311 -2.466 7.746 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.484 10.444 11.533 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.383 9.391 12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -0.795 11.099 9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.157 10.961 11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.782 9.476 9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.020 8.828 10.799 1.00 0.00 H new ATOM 528 N LEU A 312 -2.920 8.715 8.171 1.00 0.00 N ATOM 529 CA LEU A 312 -3.901 8.964 7.121 1.00 0.00 C ATOM 530 C LEU A 312 -5.183 8.170 7.327 1.00 0.00 C ATOM 531 O LEU A 312 -6.104 8.267 6.518 1.00 0.00 O ATOM 532 CB LEU A 312 -3.264 8.587 5.788 1.00 0.00 C ATOM 533 CG LEU A 312 -2.247 9.625 5.306 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.640 10.492 6.405 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.123 8.883 4.598 1.00 0.00 C ATOM 0 H LEU A 312 -2.064 8.283 7.823 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.179 10.018 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.771 7.620 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.045 8.473 5.036 1.00 0.00 H new ATOM 0 HG LEU A 312 -2.788 10.310 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -0.933 11.195 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.432 11.043 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.121 9.858 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.382 9.599 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -0.652 8.187 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.529 8.331 3.751 1.00 0.00 H new ATOM 547 N ASN A 313 -5.222 7.393 8.411 1.00 0.00 N ATOM 548 CA ASN A 313 -6.370 6.613 8.847 1.00 0.00 C ATOM 549 C ASN A 313 -6.734 5.514 7.839 1.00 0.00 C ATOM 550 O ASN A 313 -6.292 5.556 6.693 1.00 0.00 O ATOM 551 CB ASN A 313 -7.490 7.613 9.127 1.00 0.00 C ATOM 552 CG ASN A 313 -7.095 8.595 10.214 1.00 0.00 C ATOM 553 OD1 ASN A 313 -6.561 8.210 11.252 1.00 0.00 O ATOM 554 ND2 ASN A 313 -7.358 9.876 9.982 1.00 0.00 N ATOM 0 H ASN A 313 -4.419 7.289 9.031 1.00 0.00 H new ATOM 0 HA ASN A 313 -6.156 6.053 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.732 8.157 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.391 7.078 9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -7.115 10.581 10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -7.802 10.155 9.107 1.00 0.00 H new ATOM 561 N PRO A 314 -7.537 4.515 8.236 1.00 0.00 N ATOM 562 CA PRO A 314 -7.840 3.373 7.391 1.00 0.00 C ATOM 563 C PRO A 314 -8.738 3.757 6.217 1.00 0.00 C ATOM 564 O PRO A 314 -9.903 4.112 6.394 1.00 0.00 O ATOM 565 CB PRO A 314 -8.488 2.352 8.324 1.00 0.00 C ATOM 566 CG PRO A 314 -9.147 3.210 9.398 1.00 0.00 C ATOM 567 CD PRO A 314 -8.199 4.400 9.525 1.00 0.00 C ATOM 0 HA PRO A 314 -6.947 2.963 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.219 1.737 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -7.749 1.674 8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.149 3.523 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -9.245 2.671 10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -8.745 5.312 9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -7.475 4.240 10.324 1.00 0.00 H new ATOM 575 N VAL A 315 -8.166 3.674 5.012 1.00 0.00 N ATOM 576 CA VAL A 315 -8.843 3.951 3.748 1.00 0.00 C ATOM 577 C VAL A 315 -8.235 3.120 2.618 1.00 0.00 C ATOM 578 O VAL A 315 -8.596 3.320 1.459 1.00 0.00 O ATOM 579 CB VAL A 315 -8.694 5.431 3.347 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.366 6.401 4.313 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.222 5.829 3.224 1.00 0.00 C ATOM 0 H VAL A 315 -7.190 3.404 4.889 1.00 0.00 H new ATOM 0 HA VAL A 315 -9.894 3.702 3.895 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.197 5.507 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.218 7.423 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.433 6.185 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -8.928 6.289 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.151 6.879 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -6.723 5.678 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -6.741 5.214 2.463 1.00 0.00 H new ATOM 591 N ARG A 316 -7.319 2.193 2.929 1.00 0.00 N ATOM 592 CA ARG A 316 -6.425 1.678 1.901 1.00 0.00 C ATOM 593 C ARG A 316 -6.015 0.213 2.014 1.00 0.00 C ATOM 594 O ARG A 316 -5.455 -0.311 1.055 1.00 0.00 O ATOM 595 CB ARG A 316 -5.159 2.542 1.936 1.00 0.00 C ATOM 596 CG ARG A 316 -4.498 2.537 3.324 1.00 0.00 C ATOM 597 CD ARG A 316 -3.199 3.339 3.264 1.00 0.00 C ATOM 598 NE ARG A 316 -2.558 3.412 4.581 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.926 4.269 5.538 1.00 0.00 C ATOM 600 NH1 ARG A 316 -3.915 5.133 5.325 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.303 4.263 6.713 1.00 0.00 N ATOM 0 H ARG A 316 -7.184 1.797 3.859 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.984 1.728 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.449 2.175 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.410 3.565 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.173 2.969 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.294 1.514 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -2.517 2.878 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.407 4.346 2.902 1.00 0.00 H new ATOM 0 HE ARG A 316 -1.788 2.773 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -4.398 5.144 4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -4.190 5.784 6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -1.544 3.604 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -2.585 4.918 7.443 1.00 0.00 H new ATOM 615 N VAL A 317 -6.269 -0.465 3.133 1.00 0.00 N ATOM 616 CA VAL A 317 -5.712 -1.803 3.328 1.00 0.00 C ATOM 617 C VAL A 317 -6.266 -2.856 2.373 1.00 0.00 C ATOM 618 O VAL A 317 -7.414 -2.788 1.936 1.00 0.00 O ATOM 619 CB VAL A 317 -5.890 -2.278 4.767 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.747 -1.677 5.581 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.248 -1.881 5.347 1.00 0.00 C ATOM 0 H VAL A 317 -6.843 -0.120 3.902 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.651 -1.696 3.101 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.864 -3.367 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.836 -1.992 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.794 -2.020 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.794 -0.589 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.325 -2.242 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.345 -0.795 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.043 -2.322 4.746 1.00 0.00 H new ATOM 631 N HIS A 318 -5.409 -3.836 2.062 1.00 0.00 N ATOM 632 CA HIS A 318 -5.729 -5.016 1.284 1.00 0.00 C ATOM 633 C HIS A 318 -4.722 -6.118 1.625 1.00 0.00 C ATOM 634 O HIS A 318 -3.654 -5.834 2.168 1.00 0.00 O ATOM 635 CB HIS A 318 -5.649 -4.664 -0.201 1.00 0.00 C ATOM 636 CG HIS A 318 -6.143 -5.785 -1.070 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.439 -6.439 -2.053 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.388 -6.342 -1.017 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.253 -7.367 -2.586 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.459 -7.349 -1.986 1.00 0.00 N ATOM 0 H HIS A 318 -4.435 -3.818 2.363 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.735 -5.367 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.239 -3.768 -0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.617 -4.429 -0.463 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.474 -6.254 -2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.182 -6.055 -0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.977 -8.037 -3.387 1.00 0.00 H new ATOM 648 N ILE A 319 -5.051 -7.376 1.311 1.00 0.00 N ATOM 649 CA ILE A 319 -4.201 -8.518 1.630 1.00 0.00 C ATOM 650 C ILE A 319 -4.098 -9.436 0.413 1.00 0.00 C ATOM 651 O ILE A 319 -5.017 -9.518 -0.401 1.00 0.00 O ATOM 652 CB ILE A 319 -4.754 -9.271 2.857 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.608 -8.449 4.145 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.999 -10.585 3.080 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.849 -7.608 4.436 1.00 0.00 C ATOM 0 H ILE A 319 -5.914 -7.626 0.829 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.200 -8.167 1.881 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.807 -9.456 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -4.421 -9.120 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -3.740 -7.795 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.408 -11.097 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.108 -11.221 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.943 -10.374 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -5.699 -7.044 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.022 -6.917 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.714 -8.262 4.548 1.00 0.00 H new ATOM 667 N GLU A 320 -2.962 -10.128 0.301 1.00 0.00 N ATOM 668 CA GLU A 320 -2.652 -11.047 -0.781 1.00 0.00 C ATOM 669 C GLU A 320 -2.053 -12.332 -0.191 1.00 0.00 C ATOM 670 O GLU A 320 -1.804 -12.400 1.012 1.00 0.00 O ATOM 671 CB GLU A 320 -1.697 -10.299 -1.717 1.00 0.00 C ATOM 672 CG GLU A 320 -1.258 -11.088 -2.946 1.00 0.00 C ATOM 673 CD GLU A 320 -2.451 -11.521 -3.797 1.00 0.00 C ATOM 674 OE1 GLU A 320 -2.862 -10.723 -4.668 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.942 -12.648 -3.568 1.00 0.00 O ATOM 0 H GLU A 320 -2.211 -10.057 0.988 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.529 -11.358 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.180 -9.379 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -0.811 -10.009 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.584 -10.478 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -0.697 -11.968 -2.632 1.00 0.00 H new ATOM 817 N ALA A 331 0.748 -8.098 1.480 1.00 0.00 N ATOM 818 CA ALA A 331 -0.157 -6.966 1.539 1.00 0.00 C ATOM 819 C ALA A 331 0.135 -5.911 0.484 1.00 0.00 C ATOM 820 O ALA A 331 1.193 -5.874 -0.142 1.00 0.00 O ATOM 821 CB ALA A 331 -0.078 -6.348 2.935 1.00 0.00 C ATOM 0 HA ALA A 331 -1.162 -7.334 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -0.754 -5.495 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.366 -7.091 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.942 -6.017 3.129 1.00 0.00 H new ATOM 827 N ASP A 332 -0.856 -5.042 0.305 1.00 0.00 N ATOM 828 CA ASP A 332 -0.760 -3.870 -0.535 1.00 0.00 C ATOM 829 C ASP A 332 -1.791 -2.859 -0.051 1.00 0.00 C ATOM 830 O ASP A 332 -2.681 -3.205 0.728 1.00 0.00 O ATOM 831 CB ASP A 332 -0.988 -4.253 -1.999 1.00 0.00 C ATOM 832 CG ASP A 332 -2.407 -4.747 -2.263 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.648 -5.956 -2.054 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.241 -3.909 -2.672 1.00 0.00 O ATOM 0 H ASP A 332 -1.766 -5.143 0.754 1.00 0.00 H new ATOM 0 HA ASP A 332 0.234 -3.427 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.784 -3.390 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.278 -5.030 -2.282 1.00 0.00 H new ATOM 839 N VAL A 333 -1.678 -1.610 -0.504 1.00 0.00 N ATOM 840 CA VAL A 333 -2.589 -0.568 -0.067 1.00 0.00 C ATOM 841 C VAL A 333 -2.940 0.363 -1.223 1.00 0.00 C ATOM 842 O VAL A 333 -2.230 0.415 -2.224 1.00 0.00 O ATOM 843 CB VAL A 333 -1.984 0.211 1.107 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.720 -0.694 2.309 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.673 0.890 0.716 1.00 0.00 C ATOM 0 H VAL A 333 -0.968 -1.303 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.513 -1.035 0.275 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.719 0.969 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.291 -0.106 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.657 -1.141 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.023 -1.482 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.274 1.432 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.046 0.136 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.854 1.587 -0.102 1.00 0.00 H new ATOM 855 N GLU A 334 -4.045 1.098 -1.077 1.00 0.00 N ATOM 856 CA GLU A 334 -4.558 1.995 -2.099 1.00 0.00 C ATOM 857 C GLU A 334 -4.910 3.345 -1.475 1.00 0.00 C ATOM 858 O GLU A 334 -6.054 3.590 -1.096 1.00 0.00 O ATOM 859 CB GLU A 334 -5.756 1.342 -2.794 1.00 0.00 C ATOM 860 CG GLU A 334 -6.216 2.178 -3.989 1.00 0.00 C ATOM 861 CD GLU A 334 -7.397 1.516 -4.694 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.531 1.665 -4.186 1.00 0.00 O ATOM 863 OE2 GLU A 334 -7.159 0.865 -5.736 1.00 0.00 O ATOM 0 H GLU A 334 -4.613 1.082 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.797 2.180 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.486 0.340 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.577 1.231 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.500 3.175 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.391 2.302 -4.691 1.00 0.00 H new ATOM 870 N PHE A 335 -3.908 4.221 -1.373 1.00 0.00 N ATOM 871 CA PHE A 335 -4.053 5.541 -0.781 1.00 0.00 C ATOM 872 C PHE A 335 -4.980 6.445 -1.586 1.00 0.00 C ATOM 873 O PHE A 335 -5.210 6.246 -2.781 1.00 0.00 O ATOM 874 CB PHE A 335 -2.683 6.212 -0.694 1.00 0.00 C ATOM 875 CG PHE A 335 -1.820 5.695 0.432 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.954 6.243 1.715 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.890 4.676 0.198 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.156 5.772 2.764 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.084 4.210 1.245 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.222 4.757 2.528 1.00 0.00 C ATOM 0 H PHE A 335 -2.964 4.025 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.490 5.401 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.157 6.067 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.822 7.286 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.673 7.029 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.794 4.249 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.261 6.191 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.642 3.431 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.394 4.394 3.337 1.00 0.00 H new ATOM 890 N ALA A 336 -5.508 7.454 -0.890 1.00 0.00 N ATOM 891 CA ALA A 336 -6.280 8.521 -1.490 1.00 0.00 C ATOM 892 C ALA A 336 -5.303 9.540 -2.080 1.00 0.00 C ATOM 893 O ALA A 336 -4.624 10.259 -1.345 1.00 0.00 O ATOM 894 CB ALA A 336 -7.176 9.143 -0.414 1.00 0.00 C ATOM 0 H ALA A 336 -5.404 7.545 0.121 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.923 8.155 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.764 9.949 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.845 8.382 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.557 9.541 0.390 1.00 0.00 H new ATOM 900 N THR A 337 -5.245 9.590 -3.413 1.00 0.00 N ATOM 901 CA THR A 337 -4.360 10.455 -4.188 1.00 0.00 C ATOM 902 C THR A 337 -2.883 10.188 -3.912 1.00 0.00 C ATOM 903 O THR A 337 -2.511 9.510 -2.954 1.00 0.00 O ATOM 904 CB THR A 337 -4.697 11.941 -4.009 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.307 12.404 -2.737 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.188 12.202 -4.215 1.00 0.00 C ATOM 0 H THR A 337 -5.837 9.005 -4.003 1.00 0.00 H new ATOM 0 HA THR A 337 -4.539 10.201 -5.233 1.00 0.00 H new ATOM 0 HB THR A 337 -4.138 12.488 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.072 11.641 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.393 13.264 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.474 11.901 -5.223 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.762 11.627 -3.488 1.00 0.00 H new ATOM 914 N HIS A 338 -2.029 10.737 -4.776 1.00 0.00 N ATOM 915 CA HIS A 338 -0.590 10.615 -4.627 1.00 0.00 C ATOM 916 C HIS A 338 -0.114 11.386 -3.399 1.00 0.00 C ATOM 917 O HIS A 338 0.958 11.108 -2.870 1.00 0.00 O ATOM 918 CB HIS A 338 0.061 11.177 -5.888 1.00 0.00 C ATOM 919 CG HIS A 338 1.547 10.956 -5.969 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.198 9.744 -6.009 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.501 11.934 -6.025 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.515 9.996 -6.106 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.754 11.320 -6.120 1.00 0.00 N ATOM 0 H HIS A 338 -2.319 11.275 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.314 9.569 -4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.410 10.722 -6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.139 12.247 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.318 12.998 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.280 9.236 -6.165 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.662 11.781 -6.186 1.00 0.00 H new ATOM 931 N GLU A 339 -0.908 12.357 -2.941 1.00 0.00 N ATOM 932 CA GLU A 339 -0.537 13.213 -1.828 1.00 0.00 C ATOM 933 C GLU A 339 -0.496 12.441 -0.516 1.00 0.00 C ATOM 934 O GLU A 339 0.438 12.617 0.264 1.00 0.00 O ATOM 935 CB GLU A 339 -1.533 14.366 -1.730 1.00 0.00 C ATOM 936 CG GLU A 339 -1.394 15.244 -2.972 1.00 0.00 C ATOM 937 CD GLU A 339 -2.334 16.447 -2.911 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.958 17.443 -2.253 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.424 16.366 -3.521 1.00 0.00 O ATOM 0 H GLU A 339 -1.825 12.566 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 339 0.465 13.601 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.550 13.981 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.344 14.952 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.364 15.589 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.612 14.655 -3.863 1.00 0.00 H new ATOM 946 N GLU A 340 -1.491 11.588 -0.257 1.00 0.00 N ATOM 947 CA GLU A 340 -1.446 10.766 0.944 1.00 0.00 C ATOM 948 C GLU A 340 -0.412 9.654 0.759 1.00 0.00 C ATOM 949 O GLU A 340 0.185 9.194 1.732 1.00 0.00 O ATOM 950 CB GLU A 340 -2.827 10.173 1.231 1.00 0.00 C ATOM 951 CG GLU A 340 -3.901 11.258 1.378 1.00 0.00 C ATOM 952 CD GLU A 340 -3.688 12.134 2.614 1.00 0.00 C ATOM 953 OE1 GLU A 340 -2.802 13.014 2.560 1.00 0.00 O ATOM 954 OE2 GLU A 340 -4.419 11.915 3.606 1.00 0.00 O ATOM 0 H GLU A 340 -2.313 11.454 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.157 11.383 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.105 9.495 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.784 9.580 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.901 11.887 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -4.882 10.787 1.436 1.00 0.00 H new ATOM 961 N ALA A 341 -0.188 9.215 -0.486 1.00 0.00 N ATOM 962 CA ALA A 341 0.776 8.157 -0.748 1.00 0.00 C ATOM 963 C ALA A 341 2.197 8.607 -0.396 1.00 0.00 C ATOM 964 O ALA A 341 2.921 7.883 0.285 1.00 0.00 O ATOM 965 CB ALA A 341 0.683 7.738 -2.215 1.00 0.00 C ATOM 0 H ALA A 341 -0.659 9.576 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 341 0.541 7.300 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.404 6.945 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.323 7.375 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.901 8.595 -2.853 1.00 0.00 H new ATOM 971 N VAL A 342 2.611 9.796 -0.849 1.00 0.00 N ATOM 972 CA VAL A 342 3.938 10.304 -0.519 1.00 0.00 C ATOM 973 C VAL A 342 3.999 10.765 0.935 1.00 0.00 C ATOM 974 O VAL A 342 5.081 10.809 1.517 1.00 0.00 O ATOM 975 CB VAL A 342 4.351 11.453 -1.444 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.316 11.000 -2.902 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.455 12.677 -1.262 1.00 0.00 C ATOM 0 H VAL A 342 2.051 10.414 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 342 4.639 9.482 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 342 5.369 11.737 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.612 11.827 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.005 10.167 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.306 10.682 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.781 13.470 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.423 12.409 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.521 13.026 -0.232 1.00 0.00 H new ATOM 987 N ALA A 343 2.850 11.108 1.526 1.00 0.00 N ATOM 988 CA ALA A 343 2.790 11.485 2.930 1.00 0.00 C ATOM 989 C ALA A 343 2.987 10.260 3.823 1.00 0.00 C ATOM 990 O ALA A 343 3.157 10.404 5.032 1.00 0.00 O ATOM 991 CB ALA A 343 1.453 12.159 3.229 1.00 0.00 C ATOM 0 H ALA A 343 1.950 11.130 1.047 1.00 0.00 H new ATOM 0 HA ALA A 343 3.594 12.190 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.414 12.439 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.350 13.052 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.640 11.468 3.007 1.00 0.00 H new ATOM 997 N ALA A 344 2.967 9.062 3.228 1.00 0.00 N ATOM 998 CA ALA A 344 3.228 7.823 3.941 1.00 0.00 C ATOM 999 C ALA A 344 4.522 7.158 3.461 1.00 0.00 C ATOM 1000 O ALA A 344 4.929 6.138 4.014 1.00 0.00 O ATOM 1001 CB ALA A 344 2.029 6.895 3.777 1.00 0.00 C ATOM 0 H ALA A 344 2.768 8.932 2.236 1.00 0.00 H new ATOM 0 HA ALA A 344 3.369 8.044 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.216 5.962 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 344 1.139 7.374 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.874 6.685 2.719 1.00 0.00 H new ATOM 1007 N MET A 345 5.169 7.728 2.436 1.00 0.00 N ATOM 1008 CA MET A 345 6.481 7.288 1.975 1.00 0.00 C ATOM 1009 C MET A 345 7.567 7.770 2.945 1.00 0.00 C ATOM 1010 O MET A 345 8.481 8.500 2.560 1.00 0.00 O ATOM 1011 CB MET A 345 6.732 7.800 0.550 1.00 0.00 C ATOM 1012 CG MET A 345 8.013 7.205 -0.047 1.00 0.00 C ATOM 1013 SD MET A 345 7.817 5.694 -1.031 1.00 0.00 S ATOM 1014 CE MET A 345 6.946 4.603 0.123 1.00 0.00 C ATOM 0 H MET A 345 4.790 8.511 1.904 1.00 0.00 H new ATOM 0 HA MET A 345 6.513 6.199 1.952 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.882 7.545 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.806 8.887 0.561 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.482 7.963 -0.674 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.704 6.994 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.873 3.604 -0.306 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.495 4.555 1.063 1.00 0.00 H new ATOM 0 HE3 MET A 345 5.945 4.993 0.307 1.00 0.00 H new ATOM 1024 N SER A 346 7.464 7.359 4.212 1.00 0.00 N ATOM 1025 CA SER A 346 8.387 7.764 5.265 1.00 0.00 C ATOM 1026 C SER A 346 8.769 6.571 6.141 1.00 0.00 C ATOM 1027 O SER A 346 9.224 6.752 7.269 1.00 0.00 O ATOM 1028 CB SER A 346 7.748 8.867 6.111 1.00 0.00 C ATOM 1029 OG SER A 346 7.415 9.975 5.300 1.00 0.00 O ATOM 0 H SER A 346 6.729 6.730 4.534 1.00 0.00 H new ATOM 0 HA SER A 346 9.298 8.148 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.853 8.485 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 346 8.436 9.177 6.897 1.00 0.00 H new ATOM 0 HG SER A 346 7.006 10.673 5.852 1.00 0.00 H new ATOM 1035 N LYS A 347 8.580 5.353 5.620 1.00 0.00 N ATOM 1036 CA LYS A 347 8.821 4.110 6.345 1.00 0.00 C ATOM 1037 C LYS A 347 9.553 3.096 5.464 1.00 0.00 C ATOM 1038 O LYS A 347 9.408 1.893 5.665 1.00 0.00 O ATOM 1039 CB LYS A 347 7.485 3.542 6.847 1.00 0.00 C ATOM 1040 CG LYS A 347 6.793 4.444 7.876 1.00 0.00 C ATOM 1041 CD LYS A 347 7.591 4.603 9.172 1.00 0.00 C ATOM 1042 CE LYS A 347 7.746 3.272 9.906 1.00 0.00 C ATOM 1043 NZ LYS A 347 6.453 2.778 10.419 1.00 0.00 N ATOM 0 H LYS A 347 8.250 5.206 4.666 1.00 0.00 H new ATOM 0 HA LYS A 347 9.461 4.318 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.819 3.394 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.658 2.562 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.629 5.427 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.812 4.031 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.576 5.011 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.091 5.321 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 347 8.176 2.532 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 347 8.444 3.392 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 6.600 1.882 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.046 3.481 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 5.800 2.623 9.624 1.00 0.00 H new ATOM 1057 N ASP A 348 10.337 3.575 4.491 1.00 0.00 N ATOM 1058 CA ASP A 348 11.125 2.731 3.596 1.00 0.00 C ATOM 1059 C ASP A 348 11.800 1.592 4.357 1.00 0.00 C ATOM 1060 O ASP A 348 12.671 1.812 5.198 1.00 0.00 O ATOM 1061 CB ASP A 348 12.123 3.586 2.808 1.00 0.00 C ATOM 1062 CG ASP A 348 13.145 4.289 3.703 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.738 5.228 4.423 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.326 3.880 3.658 1.00 0.00 O ATOM 0 H ASP A 348 10.441 4.572 4.304 1.00 0.00 H new ATOM 0 HA ASP A 348 10.456 2.260 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.649 2.954 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 348 11.577 4.334 2.232 1.00 0.00 H new ATOM 1069 N ARG A 349 11.366 0.368 4.032 1.00 0.00 N ATOM 1070 CA ARG A 349 11.764 -0.888 4.657 1.00 0.00 C ATOM 1071 C ARG A 349 11.999 -0.798 6.173 1.00 0.00 C ATOM 1072 O ARG A 349 12.875 -1.470 6.716 1.00 0.00 O ATOM 1073 CB ARG A 349 12.882 -1.557 3.868 1.00 0.00 C ATOM 1074 CG ARG A 349 14.215 -0.828 3.878 1.00 0.00 C ATOM 1075 CD ARG A 349 15.008 -1.501 2.766 1.00 0.00 C ATOM 1076 NE ARG A 349 16.385 -1.002 2.694 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.736 0.164 2.145 1.00 0.00 C ATOM 1078 NH1 ARG A 349 15.821 0.978 1.621 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.017 0.523 2.119 1.00 0.00 N ATOM 0 H ARG A 349 10.689 0.226 3.282 1.00 0.00 H new ATOM 0 HA ARG A 349 10.907 -1.559 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.033 -2.561 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.557 -1.669 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.089 0.238 3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.716 -0.925 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.021 -2.578 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.510 -1.331 1.811 1.00 0.00 H new ATOM 0 HE ARG A 349 17.124 -1.584 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 349 14.836 0.714 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.106 1.865 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.727 -0.091 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.289 1.413 1.701 1.00 0.00 H new ATOM 1093 N ALA A 350 11.206 0.040 6.850 1.00 0.00 N ATOM 1094 CA ALA A 350 11.288 0.303 8.279 1.00 0.00 C ATOM 1095 C ALA A 350 10.706 -0.825 9.137 1.00 0.00 C ATOM 1096 O ALA A 350 10.146 -1.795 8.632 1.00 0.00 O ATOM 1097 CB ALA A 350 10.508 1.590 8.556 1.00 0.00 C ATOM 0 H ALA A 350 10.464 0.570 6.394 1.00 0.00 H new ATOM 0 HA ALA A 350 12.341 0.387 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.549 1.818 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.950 2.412 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.469 1.458 8.252 1.00 0.00 H new ATOM 1103 N ASN A 351 10.841 -0.689 10.461 1.00 0.00 N ATOM 1104 CA ASN A 351 10.237 -1.602 11.424 1.00 0.00 C ATOM 1105 C ASN A 351 8.715 -1.420 11.429 1.00 0.00 C ATOM 1106 O ASN A 351 8.198 -0.462 10.852 1.00 0.00 O ATOM 1107 CB ASN A 351 10.841 -1.313 12.804 1.00 0.00 C ATOM 1108 CG ASN A 351 10.376 -2.286 13.883 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.005 -3.421 13.602 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.394 -1.842 15.136 1.00 0.00 N ATOM 0 H ASN A 351 11.377 0.064 10.892 1.00 0.00 H new ATOM 0 HA ASN A 351 10.442 -2.638 11.155 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.928 -1.353 12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.578 -0.298 13.102 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.094 -2.451 15.897 1.00 0.00 H new ATOM 0 HD22 ASN A 351 10.708 -0.892 15.336 1.00 0.00 H new ATOM 1117 N MET A 352 7.992 -2.336 12.080 1.00 0.00 N ATOM 1118 CA MET A 352 6.536 -2.296 12.142 1.00 0.00 C ATOM 1119 C MET A 352 6.015 -2.753 13.502 1.00 0.00 C ATOM 1120 O MET A 352 4.998 -2.248 13.973 1.00 0.00 O ATOM 1121 CB MET A 352 5.989 -3.204 11.041 1.00 0.00 C ATOM 1122 CG MET A 352 4.470 -3.308 11.134 1.00 0.00 C ATOM 1123 SD MET A 352 3.694 -4.138 9.729 1.00 0.00 S ATOM 1124 CE MET A 352 1.975 -3.998 10.269 1.00 0.00 C ATOM 0 H MET A 352 8.404 -3.125 12.578 1.00 0.00 H new ATOM 0 HA MET A 352 6.202 -1.268 11.999 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.273 -2.811 10.064 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.432 -4.196 11.127 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.209 -3.844 12.047 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.054 -2.305 11.224 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.313 -4.294 9.455 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.809 -4.649 11.127 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.765 -2.966 10.551 1.00 0.00 H new ATOM 1134 N GLN A 353 6.704 -3.704 14.136 1.00 0.00 N ATOM 1135 CA GLN A 353 6.329 -4.198 15.452 1.00 0.00 C ATOM 1136 C GLN A 353 7.511 -4.864 16.137 1.00 0.00 C ATOM 1137 O GLN A 353 7.737 -4.644 17.325 1.00 0.00 O ATOM 1138 CB GLN A 353 5.180 -5.198 15.346 1.00 0.00 C ATOM 1139 CG GLN A 353 5.231 -6.083 14.101 1.00 0.00 C ATOM 1140 CD GLN A 353 3.955 -6.904 14.023 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.983 -8.131 14.068 1.00 0.00 O ATOM 1142 NE2 GLN A 353 2.821 -6.219 13.906 1.00 0.00 N ATOM 0 H GLN A 353 7.536 -4.149 13.748 1.00 0.00 H new ATOM 0 HA GLN A 353 6.008 -3.342 16.046 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.185 -5.835 16.231 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.237 -4.652 15.351 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.338 -5.469 13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.099 -6.740 14.142 1.00 0.00 H new ATOM 0 HE21 GLN A 353 2.842 -5.200 13.872 1.00 0.00 H new ATOM 0 HE22 GLN A 353 1.930 -6.713 13.850 1.00 0.00 H new ATOM 1151 N HIS A 354 8.267 -5.675 15.391 1.00 0.00 N ATOM 1152 CA HIS A 354 9.406 -6.375 15.956 1.00 0.00 C ATOM 1153 C HIS A 354 10.389 -6.870 14.891 1.00 0.00 C ATOM 1154 O HIS A 354 11.368 -7.533 15.231 1.00 0.00 O ATOM 1155 CB HIS A 354 8.884 -7.542 16.798 1.00 0.00 C ATOM 1156 CG HIS A 354 8.430 -8.717 15.978 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.195 -9.787 15.574 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.168 -8.915 15.495 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.403 -10.610 14.863 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.152 -10.119 14.784 1.00 0.00 N ATOM 0 H HIS A 354 8.106 -5.857 14.400 1.00 0.00 H new ATOM 0 HA HIS A 354 9.967 -5.676 16.576 1.00 0.00 H new ATOM 0 HB2 HIS A 354 9.669 -7.867 17.480 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.053 -7.194 17.411 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.326 -8.254 15.638 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.727 -11.538 14.416 1.00 0.00 H new ATOM 0 HE2 HIS A 354 6.356 -10.539 14.304 1.00 0.00 H new ATOM 1168 N ARG A 355 10.148 -6.561 13.607 1.00 0.00 N ATOM 1169 CA ARG A 355 10.987 -7.068 12.532 1.00 0.00 C ATOM 1170 C ARG A 355 10.927 -6.185 11.288 1.00 0.00 C ATOM 1171 O ARG A 355 10.073 -5.311 11.155 1.00 0.00 O ATOM 1172 CB ARG A 355 10.530 -8.489 12.174 1.00 0.00 C ATOM 1173 CG ARG A 355 11.666 -9.322 11.571 1.00 0.00 C ATOM 1174 CD ARG A 355 11.275 -10.800 11.524 1.00 0.00 C ATOM 1175 NE ARG A 355 10.056 -11.016 10.736 1.00 0.00 N ATOM 1176 CZ ARG A 355 9.371 -12.163 10.722 1.00 0.00 C ATOM 1177 NH1 ARG A 355 9.790 -13.213 11.425 1.00 0.00 N ATOM 1178 NH2 ARG A 355 8.258 -12.266 9.999 1.00 0.00 N ATOM 0 H ARG A 355 9.380 -5.965 13.298 1.00 0.00 H new ATOM 0 HA ARG A 355 12.020 -7.069 12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.152 -8.985 13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.703 -8.436 11.465 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.892 -8.967 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 355 12.572 -9.197 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 355 12.093 -11.379 11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 355 11.122 -11.168 12.539 1.00 0.00 H new ATOM 0 HE ARG A 355 9.711 -10.244 10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 355 10.642 -13.147 11.982 1.00 0.00 H new ATOM 0 HH12 ARG A 355 9.259 -14.084 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 355 7.928 -11.469 9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 355 7.736 -13.142 9.989 1.00 0.00 H new ATOM 1192 N TYR A 356 11.869 -6.453 10.387 1.00 0.00 N ATOM 1193 CA TYR A 356 11.991 -5.904 9.048 1.00 0.00 C ATOM 1194 C TYR A 356 10.641 -6.026 8.326 1.00 0.00 C ATOM 1195 O TYR A 356 10.082 -7.118 8.249 1.00 0.00 O ATOM 1196 CB TYR A 356 13.116 -6.757 8.435 1.00 0.00 C ATOM 1197 CG TYR A 356 13.601 -6.539 7.016 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.623 -5.268 6.413 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.056 -7.663 6.299 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.125 -5.132 5.110 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.539 -7.527 4.995 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.583 -6.256 4.396 1.00 0.00 C ATOM 1203 OH TYR A 356 15.065 -6.114 3.130 1.00 0.00 O ATOM 0 H TYR A 356 12.621 -7.110 10.594 1.00 0.00 H new ATOM 0 HA TYR A 356 12.234 -4.843 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.984 -6.648 9.085 1.00 0.00 H new ATOM 0 HB3 TYR A 356 12.796 -7.797 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.257 -4.405 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.031 -8.639 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 356 14.161 -4.156 4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.877 -8.395 4.449 1.00 0.00 H new ATOM 0 HH TYR A 356 14.486 -5.504 2.626 1.00 0.00 H new ATOM 1213 N ILE A 357 10.111 -4.918 7.795 1.00 0.00 N ATOM 1214 CA ILE A 357 8.881 -4.885 6.999 1.00 0.00 C ATOM 1215 C ILE A 357 9.041 -3.781 5.959 1.00 0.00 C ATOM 1216 O ILE A 357 9.840 -2.873 6.173 1.00 0.00 O ATOM 1217 CB ILE A 357 7.644 -4.624 7.873 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.328 -5.799 8.807 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.428 -4.408 6.969 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.899 -7.052 8.040 1.00 0.00 C ATOM 0 H ILE A 357 10.537 -3.998 7.910 1.00 0.00 H new ATOM 0 HA ILE A 357 8.726 -5.853 6.522 1.00 0.00 H new ATOM 0 HB ILE A 357 7.860 -3.746 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.207 -6.028 9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.535 -5.509 9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.547 -4.222 7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.605 -3.551 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.265 -5.297 6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.686 -7.855 8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.004 -6.834 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.701 -7.361 7.370 1.00 0.00 H new ATOM 1232 N GLU A 358 8.312 -3.824 4.835 1.00 0.00 N ATOM 1233 CA GLU A 358 8.646 -2.892 3.764 1.00 0.00 C ATOM 1234 C GLU A 358 7.437 -2.480 2.938 1.00 0.00 C ATOM 1235 O GLU A 358 6.435 -3.188 2.902 1.00 0.00 O ATOM 1236 CB GLU A 358 9.701 -3.532 2.849 1.00 0.00 C ATOM 1237 CG GLU A 358 10.784 -4.263 3.641 1.00 0.00 C ATOM 1238 CD GLU A 358 11.829 -4.918 2.746 1.00 0.00 C ATOM 1239 OE1 GLU A 358 11.605 -6.093 2.378 1.00 0.00 O ATOM 1240 OE2 GLU A 358 12.836 -4.244 2.441 1.00 0.00 O ATOM 0 H GLU A 358 7.533 -4.456 4.653 1.00 0.00 H new ATOM 0 HA GLU A 358 9.035 -1.987 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.214 -4.232 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.162 -2.760 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.276 -3.558 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.319 -5.025 4.266 1.00 0.00 H new ATOM 1247 N LEU A 359 7.545 -1.324 2.274 1.00 0.00 N ATOM 1248 CA LEU A 359 6.517 -0.806 1.383 1.00 0.00 C ATOM 1249 C LEU A 359 7.141 0.037 0.269 1.00 0.00 C ATOM 1250 O LEU A 359 8.093 0.780 0.502 1.00 0.00 O ATOM 1251 CB LEU A 359 5.437 -0.072 2.188 1.00 0.00 C ATOM 1252 CG LEU A 359 5.816 1.196 2.974 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.097 1.074 3.794 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.958 2.419 2.073 1.00 0.00 C ATOM 0 H LEU A 359 8.363 -0.718 2.346 1.00 0.00 H new ATOM 0 HA LEU A 359 6.014 -1.633 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.639 0.197 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.016 -0.784 2.898 1.00 0.00 H new ATOM 0 HG LEU A 359 4.979 1.321 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.287 2.013 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.987 0.271 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.933 0.851 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.226 3.286 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.737 2.237 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.012 2.609 1.565 1.00 0.00 H new ATOM 1266 N PHE A 360 6.602 -0.078 -0.948 1.00 0.00 N ATOM 1267 CA PHE A 360 7.255 0.426 -2.153 1.00 0.00 C ATOM 1268 C PHE A 360 6.228 1.158 -3.022 1.00 0.00 C ATOM 1269 O PHE A 360 5.217 0.579 -3.414 1.00 0.00 O ATOM 1270 CB PHE A 360 7.874 -0.783 -2.877 1.00 0.00 C ATOM 1271 CG PHE A 360 9.271 -0.591 -3.440 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.519 0.382 -4.420 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.333 -1.394 -2.989 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.809 0.537 -4.952 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.611 -1.231 -3.510 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.859 -0.277 -4.501 1.00 0.00 C ATOM 0 H PHE A 360 5.701 -0.523 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 360 8.042 1.143 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.898 -1.622 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.212 -1.067 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.715 1.014 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.154 -2.143 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.993 1.284 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.420 -1.847 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.850 -0.167 -4.916 1.00 0.00 H new ATOM 1286 N LEU A 361 6.494 2.435 -3.323 1.00 0.00 N ATOM 1287 CA LEU A 361 5.570 3.333 -4.011 1.00 0.00 C ATOM 1288 C LEU A 361 5.119 2.762 -5.359 1.00 0.00 C ATOM 1289 O LEU A 361 5.926 2.199 -6.096 1.00 0.00 O ATOM 1290 CB LEU A 361 6.276 4.689 -4.176 1.00 0.00 C ATOM 1291 CG LEU A 361 5.393 5.944 -4.086 1.00 0.00 C ATOM 1292 CD1 LEU A 361 4.377 6.035 -5.218 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.626 6.022 -2.766 1.00 0.00 C ATOM 0 H LEU A 361 7.381 2.880 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 361 4.661 3.454 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.051 4.764 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.778 4.695 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 361 6.093 6.776 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 361 3.783 6.941 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 361 4.899 6.064 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 361 3.721 5.165 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 361 4.017 6.926 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 361 3.981 5.149 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.332 6.047 -1.936 1.00 0.00 H new ATOM 1305 N ASN A 362 3.828 2.908 -5.681 1.00 0.00 N ATOM 1306 CA ASN A 362 3.252 2.448 -6.929 1.00 0.00 C ATOM 1307 C ASN A 362 2.131 3.398 -7.375 1.00 0.00 C ATOM 1308 O ASN A 362 0.987 2.994 -7.591 1.00 0.00 O ATOM 1309 CB ASN A 362 2.767 1.011 -6.742 1.00 0.00 C ATOM 1310 CG ASN A 362 2.391 0.400 -8.078 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.247 0.159 -8.924 1.00 0.00 O ATOM 1312 ND2 ASN A 362 1.104 0.147 -8.276 1.00 0.00 N ATOM 0 H ASN A 362 3.152 3.358 -5.064 1.00 0.00 H new ATOM 0 HA ASN A 362 3.998 2.453 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.549 0.416 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.907 0.995 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 362 0.795 -0.263 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.424 0.362 -7.547 1.00 0.00 H new ATOM 1319 N SER A 363 2.465 4.684 -7.513 1.00 0.00 N ATOM 1320 CA SER A 363 1.531 5.687 -8.003 1.00 0.00 C ATOM 1321 C SER A 363 2.280 6.898 -8.556 1.00 0.00 C ATOM 1322 O SER A 363 3.510 6.943 -8.532 1.00 0.00 O ATOM 1323 CB SER A 363 0.594 6.128 -6.876 1.00 0.00 C ATOM 1324 OG SER A 363 1.301 6.860 -5.898 1.00 0.00 O ATOM 0 H SER A 363 3.389 5.053 -7.288 1.00 0.00 H new ATOM 0 HA SER A 363 0.943 5.244 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.211 6.739 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.130 5.254 -6.419 1.00 0.00 H new ATOM 0 HG SER A 363 1.423 7.783 -6.205 1.00 0.00 H new ATOM 1330 N THR A 364 1.525 7.877 -9.056 1.00 0.00 N ATOM 1331 CA THR A 364 2.065 9.133 -9.559 1.00 0.00 C ATOM 1332 C THR A 364 1.087 10.254 -9.227 1.00 0.00 C ATOM 1333 O THR A 364 -0.087 9.986 -8.974 1.00 0.00 O ATOM 1334 CB THR A 364 2.310 9.039 -11.064 1.00 0.00 C ATOM 1335 OG1 THR A 364 2.963 10.206 -11.510 1.00 0.00 O ATOM 1336 CG2 THR A 364 0.985 8.893 -11.801 1.00 0.00 C ATOM 0 H THR A 364 0.509 7.816 -9.122 1.00 0.00 H new ATOM 0 HA THR A 364 3.023 9.345 -9.084 1.00 0.00 H new ATOM 0 HB THR A 364 2.933 8.168 -11.267 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.121 10.144 -12.475 1.00 0.00 H new ATOM 0 HG21 THR A 364 1.170 8.827 -12.873 1.00 0.00 H new ATOM 0 HG22 THR A 364 0.479 7.989 -11.464 1.00 0.00 H new ATOM 0 HG23 THR A 364 0.356 9.759 -11.594 1.00 0.00 H new ATOM 1344 N THR A 365 1.561 11.503 -9.228 1.00 0.00 N ATOM 1345 CA THR A 365 0.729 12.654 -8.900 1.00 0.00 C ATOM 1346 C THR A 365 -0.545 12.657 -9.742 1.00 0.00 C ATOM 1347 O THR A 365 -0.520 12.383 -10.941 1.00 0.00 O ATOM 1348 CB THR A 365 1.531 13.950 -9.034 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.681 15.068 -8.893 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.222 14.013 -10.387 1.00 0.00 C ATOM 0 H THR A 365 2.527 11.739 -9.455 1.00 0.00 H new ATOM 0 HA THR A 365 0.415 12.582 -7.859 1.00 0.00 H new ATOM 0 HB THR A 365 2.284 13.965 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 365 1.206 15.891 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.787 14.942 -10.464 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.900 13.166 -10.489 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.474 13.977 -11.179 1.00 0.00 H new