USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 349 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.7! C(o=-1.7!,f=-5.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.399 USER MOD Single : A 36 GLN : amide:sc= -0.411 K(o=-0.41,f=-4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 56 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.6!) USER MOD Single : A 58 GLN : amide:sc= -0.79 K(o=-0.79,f=-2.5!) USER MOD Single : A 59 ASN : amide:sc= -0.217 K(o=-0.22,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 24.670 8.373 0.921 1.00 0.00 N ATOM 237 CA ASP A 15 24.124 7.346 -0.012 1.00 0.00 C ATOM 238 C ASP A 15 23.275 6.330 0.757 1.00 0.00 C ATOM 239 O ASP A 15 22.407 5.686 0.203 1.00 0.00 O ATOM 240 CB ASP A 15 25.354 6.668 -0.619 1.00 0.00 C ATOM 241 CG ASP A 15 25.158 6.512 -2.128 1.00 0.00 C ATOM 242 OD1 ASP A 15 24.537 5.542 -2.527 1.00 0.00 O ATOM 243 OD2 ASP A 15 25.634 7.366 -2.859 1.00 0.00 O ATOM 0 HA ASP A 15 23.481 7.783 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 15 26.246 7.261 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 15 25.509 5.692 -0.159 1.00 0.00 H new ATOM 248 N LYS A 16 23.523 6.181 2.030 1.00 0.00 N ATOM 249 CA LYS A 16 22.732 5.206 2.836 1.00 0.00 C ATOM 250 C LYS A 16 21.241 5.340 2.516 1.00 0.00 C ATOM 251 O LYS A 16 20.682 4.560 1.771 1.00 0.00 O ATOM 252 CB LYS A 16 23.004 5.585 4.292 1.00 0.00 C ATOM 253 CG LYS A 16 24.034 4.621 4.886 1.00 0.00 C ATOM 254 CD LYS A 16 23.312 3.511 5.652 1.00 0.00 C ATOM 255 CE LYS A 16 23.806 2.147 5.162 1.00 0.00 C ATOM 256 NZ LYS A 16 24.857 1.746 6.137 1.00 0.00 N ATOM 0 H LYS A 16 24.239 6.692 2.547 1.00 0.00 H new ATOM 0 HA LYS A 16 23.010 4.173 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.373 6.609 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.079 5.546 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 24.646 4.191 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.708 5.158 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.496 3.614 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 16 22.235 3.594 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.995 1.420 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.209 2.213 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.245 0.819 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.619 2.453 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.442 1.685 7.089 1.00 0.00 H new ATOM 270 N ALA A 17 20.594 6.320 3.079 1.00 0.00 N ATOM 271 CA ALA A 17 19.138 6.506 2.814 1.00 0.00 C ATOM 272 C ALA A 17 18.837 6.306 1.327 1.00 0.00 C ATOM 273 O ALA A 17 17.741 5.941 0.950 1.00 0.00 O ATOM 274 CB ALA A 17 18.839 7.943 3.233 1.00 0.00 C ATOM 0 H ALA A 17 21.010 7.003 3.713 1.00 0.00 H new ATOM 0 HA ALA A 17 18.526 5.787 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.783 8.158 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.074 8.070 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.446 8.628 2.641 1.00 0.00 H new ATOM 280 N LEU A 18 19.799 6.540 0.479 1.00 0.00 N ATOM 281 CA LEU A 18 19.563 6.359 -0.982 1.00 0.00 C ATOM 282 C LEU A 18 19.525 4.869 -1.327 1.00 0.00 C ATOM 283 O LEU A 18 18.889 4.456 -2.277 1.00 0.00 O ATOM 284 CB LEU A 18 20.750 7.039 -1.664 1.00 0.00 C ATOM 285 CG LEU A 18 20.251 7.879 -2.840 1.00 0.00 C ATOM 286 CD1 LEU A 18 19.586 9.153 -2.314 1.00 0.00 C ATOM 287 CD2 LEU A 18 21.435 8.256 -3.734 1.00 0.00 C ATOM 0 H LEU A 18 20.738 6.848 0.733 1.00 0.00 H new ATOM 0 HA LEU A 18 18.613 6.785 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.279 7.671 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.460 6.290 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 18 19.527 7.303 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.231 9.751 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.744 8.887 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.310 9.730 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.081 8.855 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.158 8.832 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.910 7.350 -4.110 1.00 0.00 H new ATOM 299 N ALA A 19 20.201 4.059 -0.561 1.00 0.00 N ATOM 300 CA ALA A 19 20.205 2.595 -0.841 1.00 0.00 C ATOM 301 C ALA A 19 18.848 1.985 -0.480 1.00 0.00 C ATOM 302 O ALA A 19 18.449 0.972 -1.019 1.00 0.00 O ATOM 303 CB ALA A 19 21.304 2.023 0.051 1.00 0.00 C ATOM 0 H ALA A 19 20.752 4.347 0.248 1.00 0.00 H new ATOM 0 HA ALA A 19 20.382 2.377 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.369 0.945 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.258 2.484 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.070 2.231 1.095 1.00 0.00 H new ATOM 309 N VAL A 20 18.135 2.594 0.428 1.00 0.00 N ATOM 310 CA VAL A 20 16.805 2.046 0.819 1.00 0.00 C ATOM 311 C VAL A 20 15.779 2.314 -0.287 1.00 0.00 C ATOM 312 O VAL A 20 14.782 1.629 -0.401 1.00 0.00 O ATOM 313 CB VAL A 20 16.426 2.787 2.102 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.004 4.218 1.765 1.00 0.00 C ATOM 315 CG2 VAL A 20 15.265 2.061 2.784 1.00 0.00 C ATOM 0 H VAL A 20 18.415 3.445 0.915 1.00 0.00 H new ATOM 0 HA VAL A 20 16.831 0.967 0.972 1.00 0.00 H new ATOM 0 HB VAL A 20 17.285 2.813 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 20 15.735 4.743 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.831 4.736 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.145 4.196 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.994 2.588 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.407 2.035 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.566 1.042 3.028 1.00 0.00 H new ATOM 325 N GLU A 21 16.017 3.304 -1.104 1.00 0.00 N ATOM 326 CA GLU A 21 15.057 3.609 -2.202 1.00 0.00 C ATOM 327 C GLU A 21 15.292 2.661 -3.378 1.00 0.00 C ATOM 328 O GLU A 21 14.442 2.486 -4.229 1.00 0.00 O ATOM 329 CB GLU A 21 15.356 5.054 -2.604 1.00 0.00 C ATOM 330 CG GLU A 21 14.209 5.958 -2.152 1.00 0.00 C ATOM 331 CD GLU A 21 14.551 6.578 -0.796 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.576 5.844 0.178 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.779 7.775 -0.754 1.00 0.00 O ATOM 0 H GLU A 21 16.833 3.914 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 21 14.019 3.484 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.292 5.382 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.483 5.123 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.038 6.742 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.286 5.383 -2.078 1.00 0.00 H new ATOM 340 N GLN A 22 16.438 2.041 -3.427 1.00 0.00 N ATOM 341 CA GLN A 22 16.726 1.094 -4.543 1.00 0.00 C ATOM 342 C GLN A 22 16.137 -0.276 -4.216 1.00 0.00 C ATOM 343 O GLN A 22 15.597 -0.954 -5.067 1.00 0.00 O ATOM 344 CB GLN A 22 18.252 1.018 -4.622 1.00 0.00 C ATOM 345 CG GLN A 22 18.671 0.665 -6.051 1.00 0.00 C ATOM 346 CD GLN A 22 19.931 -0.202 -6.013 1.00 0.00 C ATOM 347 OE1 GLN A 22 19.877 -1.385 -6.285 1.00 0.00 O ATOM 348 NE2 GLN A 22 21.072 0.340 -5.687 1.00 0.00 N ATOM 0 H GLN A 22 17.188 2.148 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 22 16.291 1.418 -5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 22 18.690 1.972 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.626 0.267 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.865 0.133 -6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 22 18.859 1.575 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 22 21.118 1.333 -5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 22 21.918 -0.229 -5.661 1.00 0.00 H new ATOM 357 N PHE A 23 16.234 -0.682 -2.983 1.00 0.00 N ATOM 358 CA PHE A 23 15.677 -2.005 -2.585 1.00 0.00 C ATOM 359 C PHE A 23 14.147 -1.939 -2.552 1.00 0.00 C ATOM 360 O PHE A 23 13.471 -2.944 -2.649 1.00 0.00 O ATOM 361 CB PHE A 23 16.233 -2.266 -1.185 1.00 0.00 C ATOM 362 CG PHE A 23 17.431 -3.182 -1.282 1.00 0.00 C ATOM 363 CD1 PHE A 23 17.303 -4.438 -1.886 1.00 0.00 C ATOM 364 CD2 PHE A 23 18.667 -2.773 -0.769 1.00 0.00 C ATOM 365 CE1 PHE A 23 18.413 -5.287 -1.975 1.00 0.00 C ATOM 366 CE2 PHE A 23 19.777 -3.622 -0.859 1.00 0.00 C ATOM 367 CZ PHE A 23 19.650 -4.879 -1.462 1.00 0.00 C ATOM 0 H PHE A 23 16.676 -0.154 -2.231 1.00 0.00 H new ATOM 0 HA PHE A 23 15.949 -2.797 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.518 -1.325 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.466 -2.718 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 23 16.349 -4.752 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 23 18.765 -1.803 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.315 -6.257 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 23 20.731 -3.307 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 23 20.506 -5.534 -1.531 1.00 0.00 H new ATOM 377 N ILE A 24 13.598 -0.761 -2.420 1.00 0.00 N ATOM 378 CA ILE A 24 12.113 -0.633 -2.383 1.00 0.00 C ATOM 379 C ILE A 24 11.548 -0.648 -3.807 1.00 0.00 C ATOM 380 O ILE A 24 10.437 -1.080 -4.039 1.00 0.00 O ATOM 381 CB ILE A 24 11.849 0.716 -1.716 1.00 0.00 C ATOM 382 CG1 ILE A 24 12.100 0.596 -0.210 1.00 0.00 C ATOM 383 CG2 ILE A 24 10.396 1.130 -1.957 1.00 0.00 C ATOM 384 CD1 ILE A 24 11.894 1.960 0.453 1.00 0.00 C ATOM 0 H ILE A 24 14.112 0.116 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 24 11.640 -1.453 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 24 12.516 1.467 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.421 -0.138 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.114 0.240 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.208 2.092 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.214 1.214 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.729 0.379 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.073 1.874 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.591 2.681 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.872 2.297 0.281 1.00 0.00 H new ATOM 396 N SER A 25 12.306 -0.178 -4.760 1.00 0.00 N ATOM 397 CA SER A 25 11.812 -0.166 -6.168 1.00 0.00 C ATOM 398 C SER A 25 11.923 -1.567 -6.776 1.00 0.00 C ATOM 399 O SER A 25 11.210 -1.911 -7.699 1.00 0.00 O ATOM 400 CB SER A 25 12.729 0.811 -6.900 1.00 0.00 C ATOM 401 OG SER A 25 12.270 0.973 -8.236 1.00 0.00 O ATOM 0 H SER A 25 13.245 0.198 -4.626 1.00 0.00 H new ATOM 0 HA SER A 25 10.765 0.129 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.739 1.773 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.753 0.438 -6.898 1.00 0.00 H new ATOM 0 HG SER A 25 12.855 1.601 -8.709 1.00 0.00 H new ATOM 407 N ARG A 26 12.810 -2.377 -6.267 1.00 0.00 N ATOM 408 CA ARG A 26 12.965 -3.754 -6.816 1.00 0.00 C ATOM 409 C ARG A 26 12.060 -4.730 -6.059 1.00 0.00 C ATOM 410 O ARG A 26 11.675 -5.761 -6.575 1.00 0.00 O ATOM 411 CB ARG A 26 14.437 -4.105 -6.594 1.00 0.00 C ATOM 412 CG ARG A 26 15.248 -3.715 -7.831 1.00 0.00 C ATOM 413 CD ARG A 26 16.728 -3.604 -7.458 1.00 0.00 C ATOM 414 NE ARG A 26 17.407 -4.657 -8.264 1.00 0.00 N ATOM 415 CZ ARG A 26 18.681 -4.884 -8.099 1.00 0.00 C ATOM 416 NH1 ARG A 26 19.121 -5.341 -6.959 1.00 0.00 N ATOM 417 NH2 ARG A 26 19.516 -4.656 -9.076 1.00 0.00 N ATOM 0 H ARG A 26 13.434 -2.145 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 26 12.686 -3.813 -7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.818 -3.582 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.542 -5.172 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.115 -4.460 -8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.890 -2.765 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.121 -2.614 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.879 -3.765 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 26 16.876 -5.200 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.469 -5.521 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 26 20.117 -5.518 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.172 -4.300 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 26 20.512 -4.833 -8.947 1.00 0.00 H new ATOM 431 N PHE A 27 11.716 -4.412 -4.841 1.00 0.00 N ATOM 432 CA PHE A 27 10.836 -5.322 -4.054 1.00 0.00 C ATOM 433 C PHE A 27 9.412 -5.292 -4.614 1.00 0.00 C ATOM 434 O PHE A 27 8.662 -6.240 -4.485 1.00 0.00 O ATOM 435 CB PHE A 27 10.862 -4.767 -2.629 1.00 0.00 C ATOM 436 CG PHE A 27 11.137 -5.877 -1.664 1.00 0.00 C ATOM 437 CD1 PHE A 27 12.450 -6.184 -1.322 1.00 0.00 C ATOM 438 CD2 PHE A 27 10.077 -6.591 -1.116 1.00 0.00 C ATOM 439 CE1 PHE A 27 12.711 -7.222 -0.418 1.00 0.00 C ATOM 440 CE2 PHE A 27 10.328 -7.630 -0.211 1.00 0.00 C ATOM 441 CZ PHE A 27 11.648 -7.946 0.138 1.00 0.00 C ATOM 0 H PHE A 27 12.006 -3.562 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 27 11.173 -6.358 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.629 -3.997 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.908 -4.295 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 27 13.267 -5.623 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.061 -6.345 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.729 -7.464 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.507 -8.186 0.217 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.846 -8.747 0.835 1.00 0.00 H new ATOM 451 N ASN A 28 9.033 -4.209 -5.238 1.00 0.00 N ATOM 452 CA ASN A 28 7.659 -4.118 -5.809 1.00 0.00 C ATOM 453 C ASN A 28 7.380 -5.320 -6.712 1.00 0.00 C ATOM 454 O ASN A 28 6.675 -6.238 -6.342 1.00 0.00 O ATOM 455 CB ASN A 28 7.653 -2.824 -6.620 1.00 0.00 C ATOM 456 CG ASN A 28 6.421 -2.796 -7.528 1.00 0.00 C ATOM 457 OD1 ASN A 28 5.560 -3.647 -7.429 1.00 0.00 O ATOM 458 ND2 ASN A 28 6.301 -1.846 -8.415 1.00 0.00 N ATOM 0 H ASN A 28 9.616 -3.384 -5.377 1.00 0.00 H new ATOM 0 HA ASN A 28 6.890 -4.118 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.645 -1.963 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.561 -2.754 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.484 -1.818 -9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.024 -1.131 -8.498 1.00 0.00 H new ATOM 465 N SER A 29 7.929 -5.319 -7.894 1.00 0.00 N ATOM 466 CA SER A 29 7.699 -6.459 -8.828 1.00 0.00 C ATOM 467 C SER A 29 7.779 -7.788 -8.072 1.00 0.00 C ATOM 468 O SER A 29 7.147 -8.759 -8.436 1.00 0.00 O ATOM 469 CB SER A 29 8.824 -6.360 -9.857 1.00 0.00 C ATOM 470 OG SER A 29 8.610 -7.324 -10.879 1.00 0.00 O ATOM 0 H SER A 29 8.528 -4.577 -8.256 1.00 0.00 H new ATOM 0 HA SER A 29 6.715 -6.418 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.853 -5.358 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.788 -6.529 -9.377 1.00 0.00 H new ATOM 0 HG SER A 29 9.329 -7.263 -11.542 1.00 0.00 H new ATOM 476 N GLY A 30 8.551 -7.839 -7.021 1.00 0.00 N ATOM 477 CA GLY A 30 8.665 -9.106 -6.244 1.00 0.00 C ATOM 478 C GLY A 30 7.387 -9.331 -5.452 1.00 0.00 C ATOM 479 O GLY A 30 6.933 -10.445 -5.283 1.00 0.00 O ATOM 0 H GLY A 30 9.107 -7.060 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.840 -9.944 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.520 -9.056 -5.569 1.00 0.00 H new ATOM 483 N TYR A 31 6.794 -8.277 -4.980 1.00 0.00 N ATOM 484 CA TYR A 31 5.528 -8.420 -4.213 1.00 0.00 C ATOM 485 C TYR A 31 4.371 -8.704 -5.175 1.00 0.00 C ATOM 486 O TYR A 31 3.224 -8.772 -4.779 1.00 0.00 O ATOM 487 CB TYR A 31 5.332 -7.074 -3.515 1.00 0.00 C ATOM 488 CG TYR A 31 3.935 -6.998 -2.949 1.00 0.00 C ATOM 489 CD1 TYR A 31 3.648 -7.591 -1.712 1.00 0.00 C ATOM 490 CD2 TYR A 31 2.927 -6.336 -3.658 1.00 0.00 C ATOM 491 CE1 TYR A 31 2.352 -7.521 -1.187 1.00 0.00 C ATOM 492 CE2 TYR A 31 1.630 -6.266 -3.134 1.00 0.00 C ATOM 493 CZ TYR A 31 1.343 -6.859 -1.897 1.00 0.00 C ATOM 494 OH TYR A 31 0.066 -6.790 -1.379 1.00 0.00 O ATOM 0 H TYR A 31 7.130 -7.320 -5.091 1.00 0.00 H new ATOM 0 HA TYR A 31 5.562 -9.242 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.066 -6.956 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.494 -6.259 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.426 -8.102 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.149 -5.878 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.130 -7.978 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.852 -5.756 -3.682 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.511 -6.295 -1.997 1.00 0.00 H new ATOM 504 N ILE A 32 4.662 -8.870 -6.440 1.00 0.00 N ATOM 505 CA ILE A 32 3.576 -9.149 -7.422 1.00 0.00 C ATOM 506 C ILE A 32 3.059 -10.579 -7.242 1.00 0.00 C ATOM 507 O ILE A 32 1.917 -10.878 -7.530 1.00 0.00 O ATOM 508 CB ILE A 32 4.229 -8.981 -8.794 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.397 -7.491 -9.097 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.343 -9.620 -9.865 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.784 -7.308 -10.567 1.00 0.00 C ATOM 0 H ILE A 32 5.602 -8.824 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 32 2.722 -8.484 -7.296 1.00 0.00 H new ATOM 0 HB ILE A 32 5.205 -9.467 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.469 -6.959 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.164 -7.062 -8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.810 -9.500 -10.843 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.220 -10.681 -9.650 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.367 -9.135 -9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.904 -6.246 -10.782 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.723 -7.826 -10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.002 -7.721 -11.203 1.00 0.00 H new ATOM 523 N LYS A 33 3.890 -11.462 -6.762 1.00 0.00 N ATOM 524 CA LYS A 33 3.445 -12.871 -6.560 1.00 0.00 C ATOM 525 C LYS A 33 2.353 -12.927 -5.490 1.00 0.00 C ATOM 526 O LYS A 33 1.522 -13.813 -5.481 1.00 0.00 O ATOM 527 CB LYS A 33 4.694 -13.617 -6.091 1.00 0.00 C ATOM 528 CG LYS A 33 4.477 -15.124 -6.246 1.00 0.00 C ATOM 529 CD LYS A 33 5.364 -15.874 -5.250 1.00 0.00 C ATOM 530 CE LYS A 33 6.760 -16.061 -5.849 1.00 0.00 C ATOM 531 NZ LYS A 33 7.483 -16.923 -4.874 1.00 0.00 N ATOM 0 H LYS A 33 4.857 -11.270 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 33 3.027 -13.308 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.559 -13.302 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.906 -13.375 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.429 -15.371 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.714 -15.433 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.430 -15.318 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.925 -16.843 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.709 -16.532 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.265 -15.104 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.450 -17.097 -5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.522 -16.446 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.983 -17.829 -4.775 1.00 0.00 H new ATOM 545 N ALA A 34 2.346 -11.983 -4.588 1.00 0.00 N ATOM 546 CA ALA A 34 1.306 -11.979 -3.519 1.00 0.00 C ATOM 547 C ALA A 34 0.287 -10.868 -3.781 1.00 0.00 C ATOM 548 O ALA A 34 -0.863 -10.966 -3.401 1.00 0.00 O ATOM 549 CB ALA A 34 2.072 -11.710 -2.223 1.00 0.00 C ATOM 0 H ALA A 34 3.015 -11.214 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 34 0.751 -12.916 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.375 -11.692 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.808 -12.498 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.580 -10.748 -2.294 1.00 0.00 H new ATOM 555 N SER A 35 0.698 -9.813 -4.429 1.00 0.00 N ATOM 556 CA SER A 35 -0.250 -8.700 -4.717 1.00 0.00 C ATOM 557 C SER A 35 -1.437 -9.219 -5.528 1.00 0.00 C ATOM 558 O SER A 35 -2.568 -8.831 -5.314 1.00 0.00 O ATOM 559 CB SER A 35 0.556 -7.688 -5.530 1.00 0.00 C ATOM 560 OG SER A 35 -0.123 -6.440 -5.533 1.00 0.00 O ATOM 0 H SER A 35 1.649 -9.674 -4.771 1.00 0.00 H new ATOM 0 HA SER A 35 -0.655 -8.256 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.552 -7.572 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.687 -8.046 -6.551 1.00 0.00 H new ATOM 0 HG SER A 35 0.393 -5.788 -6.052 1.00 0.00 H new ATOM 566 N GLN A 36 -1.188 -10.104 -6.450 1.00 0.00 N ATOM 567 CA GLN A 36 -2.302 -10.661 -7.269 1.00 0.00 C ATOM 568 C GLN A 36 -3.170 -11.564 -6.397 1.00 0.00 C ATOM 569 O GLN A 36 -4.382 -11.487 -6.410 1.00 0.00 O ATOM 570 CB GLN A 36 -1.626 -11.475 -8.374 1.00 0.00 C ATOM 571 CG GLN A 36 -2.614 -11.700 -9.520 1.00 0.00 C ATOM 572 CD GLN A 36 -1.986 -11.235 -10.835 1.00 0.00 C ATOM 573 OE1 GLN A 36 -0.847 -10.811 -10.861 1.00 0.00 O ATOM 574 NE2 GLN A 36 -2.684 -11.295 -11.935 1.00 0.00 N ATOM 0 H GLN A 36 -0.261 -10.467 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.945 -9.884 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.743 -10.950 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.287 -12.433 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.878 -12.756 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.537 -11.151 -9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.640 -11.651 -11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.274 -10.986 -12.817 1.00 0.00 H new ATOM 583 N GLU A 37 -2.549 -12.416 -5.635 1.00 0.00 N ATOM 584 CA GLU A 37 -3.321 -13.330 -4.748 1.00 0.00 C ATOM 585 C GLU A 37 -4.059 -12.522 -3.677 1.00 0.00 C ATOM 586 O GLU A 37 -5.076 -12.940 -3.162 1.00 0.00 O ATOM 587 CB GLU A 37 -2.269 -14.237 -4.106 1.00 0.00 C ATOM 588 CG GLU A 37 -1.689 -15.176 -5.166 1.00 0.00 C ATOM 589 CD GLU A 37 -2.432 -16.513 -5.125 1.00 0.00 C ATOM 590 OE1 GLU A 37 -2.918 -16.866 -4.064 1.00 0.00 O ATOM 591 OE2 GLU A 37 -2.502 -17.161 -6.156 1.00 0.00 O ATOM 0 H GLU A 37 -1.536 -12.521 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.074 -13.900 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.475 -13.635 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.717 -14.816 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.781 -14.727 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.626 -15.333 -4.985 1.00 0.00 H new ATOM 598 N LEU A 38 -3.555 -11.366 -3.341 1.00 0.00 N ATOM 599 CA LEU A 38 -4.231 -10.532 -2.307 1.00 0.00 C ATOM 600 C LEU A 38 -5.453 -9.837 -2.909 1.00 0.00 C ATOM 601 O LEU A 38 -6.430 -9.579 -2.234 1.00 0.00 O ATOM 602 CB LEU A 38 -3.184 -9.503 -1.879 1.00 0.00 C ATOM 603 CG LEU A 38 -2.506 -9.968 -0.590 1.00 0.00 C ATOM 604 CD1 LEU A 38 -1.507 -11.082 -0.910 1.00 0.00 C ATOM 605 CD2 LEU A 38 -1.768 -8.791 0.051 1.00 0.00 C ATOM 0 H LEU A 38 -2.706 -10.963 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.585 -11.125 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.442 -9.375 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.655 -8.532 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.260 -10.345 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.024 -11.413 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.032 -11.921 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.752 -10.707 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.284 -9.122 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.014 -8.414 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.479 -7.997 0.281 1.00 0.00 H new ATOM 617 N VAL A 39 -5.408 -9.537 -4.176 1.00 0.00 N ATOM 618 CA VAL A 39 -6.569 -8.863 -4.825 1.00 0.00 C ATOM 619 C VAL A 39 -7.704 -9.866 -5.037 1.00 0.00 C ATOM 620 O VAL A 39 -8.864 -9.505 -5.084 1.00 0.00 O ATOM 621 CB VAL A 39 -6.036 -8.361 -6.167 1.00 0.00 C ATOM 622 CG1 VAL A 39 -7.209 -8.000 -7.080 1.00 0.00 C ATOM 623 CG2 VAL A 39 -5.169 -7.122 -5.939 1.00 0.00 C ATOM 0 H VAL A 39 -4.618 -9.729 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.970 -8.051 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.438 -9.143 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.829 -7.642 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.828 -8.882 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.807 -7.218 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.788 -6.763 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.767 -6.341 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.333 -7.378 -5.289 1.00 0.00 H new ATOM 633 N SER A 40 -7.380 -11.123 -5.161 1.00 0.00 N ATOM 634 CA SER A 40 -8.440 -12.151 -5.367 1.00 0.00 C ATOM 635 C SER A 40 -9.169 -12.423 -4.048 1.00 0.00 C ATOM 636 O SER A 40 -10.305 -12.852 -4.032 1.00 0.00 O ATOM 637 CB SER A 40 -7.696 -13.400 -5.835 1.00 0.00 C ATOM 638 OG SER A 40 -8.476 -14.071 -6.814 1.00 0.00 O ATOM 0 H SER A 40 -6.426 -11.484 -5.129 1.00 0.00 H new ATOM 0 HA SER A 40 -9.192 -11.832 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.727 -13.125 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.504 -14.061 -4.990 1.00 0.00 H new ATOM 0 HG SER A 40 -8.001 -14.872 -7.118 1.00 0.00 H new ATOM 644 N TYR A 41 -8.523 -12.173 -2.941 1.00 0.00 N ATOM 645 CA TYR A 41 -9.179 -12.417 -1.625 1.00 0.00 C ATOM 646 C TYR A 41 -10.180 -11.301 -1.318 1.00 0.00 C ATOM 647 O TYR A 41 -11.136 -11.494 -0.593 1.00 0.00 O ATOM 648 CB TYR A 41 -8.038 -12.408 -0.607 1.00 0.00 C ATOM 649 CG TYR A 41 -7.653 -13.829 -0.270 1.00 0.00 C ATOM 650 CD1 TYR A 41 -7.681 -14.816 -1.261 1.00 0.00 C ATOM 651 CD2 TYR A 41 -7.269 -14.159 1.036 1.00 0.00 C ATOM 652 CE1 TYR A 41 -7.324 -16.133 -0.948 1.00 0.00 C ATOM 653 CE2 TYR A 41 -6.913 -15.476 1.349 1.00 0.00 C ATOM 654 CZ TYR A 41 -6.941 -16.463 0.357 1.00 0.00 C ATOM 655 OH TYR A 41 -6.590 -17.761 0.666 1.00 0.00 O ATOM 0 H TYR A 41 -7.571 -11.811 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.734 -13.355 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.179 -11.874 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.346 -11.879 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.978 -14.562 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.248 -13.397 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.344 -16.894 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.617 -15.731 2.356 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.349 -17.818 1.614 1.00 0.00 H new ATOM 665 N THR A 42 -9.970 -10.135 -1.865 1.00 0.00 N ATOM 666 CA THR A 42 -10.913 -9.008 -1.604 1.00 0.00 C ATOM 667 C THR A 42 -11.983 -8.953 -2.695 1.00 0.00 C ATOM 668 O THR A 42 -12.960 -8.240 -2.583 1.00 0.00 O ATOM 669 CB THR A 42 -10.046 -7.748 -1.633 1.00 0.00 C ATOM 670 OG1 THR A 42 -8.755 -8.053 -1.127 1.00 0.00 O ATOM 671 CG2 THR A 42 -10.693 -6.663 -0.770 1.00 0.00 C ATOM 0 H THR A 42 -9.188 -9.913 -2.481 1.00 0.00 H new ATOM 0 HA THR A 42 -11.435 -9.117 -0.654 1.00 0.00 H new ATOM 0 HB THR A 42 -9.958 -7.389 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.197 -7.247 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.075 -5.765 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.684 -6.431 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.781 -7.019 0.256 1.00 0.00 H new ATOM 679 N ILE A 43 -11.812 -9.705 -3.745 1.00 0.00 N ATOM 680 CA ILE A 43 -12.828 -9.700 -4.835 1.00 0.00 C ATOM 681 C ILE A 43 -13.943 -10.690 -4.498 1.00 0.00 C ATOM 682 O ILE A 43 -15.081 -10.522 -4.892 1.00 0.00 O ATOM 683 CB ILE A 43 -12.072 -10.143 -6.087 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.219 -8.983 -6.605 1.00 0.00 C ATOM 685 CG2 ILE A 43 -13.071 -10.561 -7.166 1.00 0.00 C ATOM 686 CD1 ILE A 43 -10.234 -9.502 -7.653 1.00 0.00 C ATOM 0 H ILE A 43 -11.014 -10.322 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.292 -8.723 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.428 -10.987 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.858 -8.214 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.678 -8.519 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.531 -10.877 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.679 -11.387 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.716 -9.717 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.626 -8.676 -8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.587 -10.255 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.785 -9.946 -8.482 1.00 0.00 H new ATOM 698 N LYS A 44 -13.620 -11.722 -3.768 1.00 0.00 N ATOM 699 CA LYS A 44 -14.652 -12.732 -3.398 1.00 0.00 C ATOM 700 C LYS A 44 -14.779 -12.834 -1.877 1.00 0.00 C ATOM 701 O LYS A 44 -15.109 -13.873 -1.340 1.00 0.00 O ATOM 702 CB LYS A 44 -14.128 -14.043 -3.966 1.00 0.00 C ATOM 703 CG LYS A 44 -15.236 -14.743 -4.756 1.00 0.00 C ATOM 704 CD LYS A 44 -15.075 -14.434 -6.245 1.00 0.00 C ATOM 705 CE LYS A 44 -16.192 -15.122 -7.033 1.00 0.00 C ATOM 706 NZ LYS A 44 -15.490 -15.925 -8.073 1.00 0.00 N ATOM 0 H LYS A 44 -12.683 -11.910 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.638 -12.473 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.271 -13.854 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.781 -14.688 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.191 -15.819 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.213 -14.408 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.110 -13.357 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.102 -14.779 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.798 -15.757 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.864 -14.392 -7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.190 -16.427 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.926 -15.294 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.863 -16.616 -7.614 1.00 0.00 H new ATOM 779 N PRO A 49 -19.037 -19.357 2.081 1.00 0.00 N ATOM 780 CA PRO A 49 -19.765 -20.618 1.820 1.00 0.00 C ATOM 781 C PRO A 49 -19.854 -21.448 3.101 1.00 0.00 C ATOM 782 O PRO A 49 -20.840 -22.108 3.359 1.00 0.00 O ATOM 783 CB PRO A 49 -18.897 -21.318 0.777 1.00 0.00 C ATOM 784 CG PRO A 49 -17.521 -20.761 0.975 1.00 0.00 C ATOM 785 CD PRO A 49 -17.676 -19.377 1.554 1.00 0.00 C ATOM 0 HA PRO A 49 -20.790 -20.466 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.908 -22.399 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.259 -21.123 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -16.943 -21.396 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -16.982 -20.723 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -16.943 -19.190 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -17.532 -18.609 0.794 1.00 0.00 H new ATOM 793 N ILE A 50 -18.829 -21.412 3.905 1.00 0.00 N ATOM 794 CA ILE A 50 -18.850 -22.195 5.175 1.00 0.00 C ATOM 795 C ILE A 50 -19.929 -21.647 6.108 1.00 0.00 C ATOM 796 O ILE A 50 -20.608 -22.386 6.793 1.00 0.00 O ATOM 797 CB ILE A 50 -17.462 -22.002 5.784 1.00 0.00 C ATOM 798 CG1 ILE A 50 -16.397 -22.383 4.753 1.00 0.00 C ATOM 799 CG2 ILE A 50 -17.318 -22.894 7.018 1.00 0.00 C ATOM 800 CD1 ILE A 50 -16.741 -23.739 4.137 1.00 0.00 C ATOM 0 H ILE A 50 -17.978 -20.875 3.739 1.00 0.00 H new ATOM 0 HA ILE A 50 -19.076 -23.249 5.010 1.00 0.00 H new ATOM 0 HB ILE A 50 -17.333 -20.959 6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.342 -21.622 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.416 -22.426 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.328 -22.757 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -18.077 -22.625 7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -17.446 -23.937 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.981 -24.008 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.774 -24.497 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.713 -23.680 3.648 1.00 0.00 H new ATOM 812 N GLU A 51 -20.096 -20.356 6.134 1.00 0.00 N ATOM 813 CA GLU A 51 -21.136 -19.757 7.016 1.00 0.00 C ATOM 814 C GLU A 51 -22.509 -19.875 6.353 1.00 0.00 C ATOM 815 O GLU A 51 -23.533 -19.853 7.007 1.00 0.00 O ATOM 816 CB GLU A 51 -20.736 -18.289 7.168 1.00 0.00 C ATOM 817 CG GLU A 51 -19.587 -18.173 8.172 1.00 0.00 C ATOM 818 CD GLU A 51 -19.568 -16.765 8.767 1.00 0.00 C ATOM 819 OE1 GLU A 51 -20.577 -16.087 8.666 1.00 0.00 O ATOM 820 OE2 GLU A 51 -18.546 -16.388 9.315 1.00 0.00 O ATOM 0 H GLU A 51 -19.557 -19.688 5.582 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.201 -20.258 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.432 -17.882 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -21.590 -17.702 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.707 -18.912 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.638 -18.384 7.680 1.00 0.00 H new ATOM 827 N TYR A 52 -22.537 -20.004 5.054 1.00 0.00 N ATOM 828 CA TYR A 52 -23.839 -20.129 4.344 1.00 0.00 C ATOM 829 C TYR A 52 -24.231 -21.610 4.232 1.00 0.00 C ATOM 830 O TYR A 52 -25.392 -21.945 4.102 1.00 0.00 O ATOM 831 CB TYR A 52 -23.586 -19.502 2.965 1.00 0.00 C ATOM 832 CG TYR A 52 -24.455 -20.159 1.917 1.00 0.00 C ATOM 833 CD1 TYR A 52 -24.118 -21.427 1.431 1.00 0.00 C ATOM 834 CD2 TYR A 52 -25.592 -19.502 1.433 1.00 0.00 C ATOM 835 CE1 TYR A 52 -24.918 -22.040 0.461 1.00 0.00 C ATOM 836 CE2 TYR A 52 -26.394 -20.116 0.463 1.00 0.00 C ATOM 837 CZ TYR A 52 -26.057 -21.385 -0.024 1.00 0.00 C ATOM 838 OH TYR A 52 -26.847 -21.989 -0.981 1.00 0.00 O ATOM 0 H TYR A 52 -21.712 -20.028 4.454 1.00 0.00 H new ATOM 0 HA TYR A 52 -24.661 -19.634 4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -23.795 -18.433 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -22.535 -19.612 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -23.240 -21.933 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -25.851 -18.522 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -24.657 -23.019 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -27.273 -19.611 0.090 1.00 0.00 H new ATOM 0 HH TYR A 52 -27.597 -21.399 -1.206 1.00 0.00 H new ATOM 848 N LEU A 53 -23.274 -22.497 4.285 1.00 0.00 N ATOM 849 CA LEU A 53 -23.601 -23.949 4.185 1.00 0.00 C ATOM 850 C LEU A 53 -24.375 -24.398 5.422 1.00 0.00 C ATOM 851 O LEU A 53 -25.375 -25.083 5.331 1.00 0.00 O ATOM 852 CB LEU A 53 -22.251 -24.659 4.111 1.00 0.00 C ATOM 853 CG LEU A 53 -22.430 -26.030 3.458 1.00 0.00 C ATOM 854 CD1 LEU A 53 -21.507 -26.142 2.243 1.00 0.00 C ATOM 855 CD2 LEU A 53 -22.077 -27.125 4.467 1.00 0.00 C ATOM 0 H LEU A 53 -22.283 -22.280 4.393 1.00 0.00 H new ATOM 0 HA LEU A 53 -24.224 -24.173 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -21.544 -24.060 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -21.833 -24.773 5.111 1.00 0.00 H new ATOM 0 HG LEU A 53 -23.466 -26.147 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -21.635 -27.119 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -21.757 -25.362 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -20.471 -26.024 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.204 -28.103 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -21.041 -27.007 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -22.734 -27.047 5.333 1.00 0.00 H new ATOM 867 N LEU A 54 -23.919 -24.016 6.580 1.00 0.00 N ATOM 868 CA LEU A 54 -24.628 -24.418 7.829 1.00 0.00 C ATOM 869 C LEU A 54 -26.129 -24.175 7.680 1.00 0.00 C ATOM 870 O LEU A 54 -26.940 -25.039 7.948 1.00 0.00 O ATOM 871 CB LEU A 54 -24.042 -23.526 8.925 1.00 0.00 C ATOM 872 CG LEU A 54 -22.944 -24.286 9.669 1.00 0.00 C ATOM 873 CD1 LEU A 54 -21.662 -24.280 8.834 1.00 0.00 C ATOM 874 CD2 LEU A 54 -22.678 -23.606 11.015 1.00 0.00 C ATOM 0 H LEU A 54 -23.087 -23.443 6.718 1.00 0.00 H new ATOM 0 HA LEU A 54 -24.498 -25.476 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -23.635 -22.614 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -24.825 -23.224 9.620 1.00 0.00 H new ATOM 0 HG LEU A 54 -23.263 -25.315 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.879 -24.822 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -21.850 -24.762 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -21.342 -23.252 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -21.895 -24.146 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -22.359 -22.578 10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -23.591 -23.609 11.611 1.00 0.00 H new ATOM 886 N GLU A 55 -26.502 -23.006 7.248 1.00 0.00 N ATOM 887 CA GLU A 55 -27.950 -22.704 7.072 1.00 0.00 C ATOM 888 C GLU A 55 -28.498 -23.481 5.874 1.00 0.00 C ATOM 889 O GLU A 55 -29.652 -23.858 5.839 1.00 0.00 O ATOM 890 CB GLU A 55 -28.014 -21.199 6.814 1.00 0.00 C ATOM 891 CG GLU A 55 -29.123 -20.580 7.668 1.00 0.00 C ATOM 892 CD GLU A 55 -28.512 -19.957 8.925 1.00 0.00 C ATOM 893 OE1 GLU A 55 -27.622 -19.135 8.782 1.00 0.00 O ATOM 894 OE2 GLU A 55 -28.946 -20.312 10.009 1.00 0.00 O ATOM 0 H GLU A 55 -25.867 -22.244 7.008 1.00 0.00 H new ATOM 0 HA GLU A 55 -28.545 -22.989 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -27.056 -20.737 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.205 -21.008 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.657 -19.821 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.852 -21.342 7.944 1.00 0.00 H new ATOM 901 N GLN A 56 -27.672 -23.729 4.896 1.00 0.00 N ATOM 902 CA GLN A 56 -28.137 -24.488 3.702 1.00 0.00 C ATOM 903 C GLN A 56 -28.112 -25.989 4.002 1.00 0.00 C ATOM 904 O GLN A 56 -28.728 -26.779 3.316 1.00 0.00 O ATOM 905 CB GLN A 56 -27.137 -24.144 2.598 1.00 0.00 C ATOM 906 CG GLN A 56 -27.885 -23.945 1.277 1.00 0.00 C ATOM 907 CD GLN A 56 -28.814 -22.735 1.393 1.00 0.00 C ATOM 908 OE1 GLN A 56 -28.389 -21.664 1.781 1.00 0.00 O ATOM 909 NE2 GLN A 56 -30.071 -22.860 1.071 1.00 0.00 N ATOM 0 H GLN A 56 -26.694 -23.439 4.872 1.00 0.00 H new ATOM 0 HA GLN A 56 -29.157 -24.233 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -26.589 -23.238 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -26.403 -24.943 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -27.175 -23.795 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -28.462 -24.838 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -30.427 -23.759 0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -30.698 -22.059 1.144 1.00 0.00 H new ATOM 918 N ILE A 57 -27.408 -26.385 5.028 1.00 0.00 N ATOM 919 CA ILE A 57 -27.347 -27.831 5.375 1.00 0.00 C ATOM 920 C ILE A 57 -28.524 -28.193 6.293 1.00 0.00 C ATOM 921 O ILE A 57 -28.957 -29.327 6.345 1.00 0.00 O ATOM 922 CB ILE A 57 -25.982 -28.005 6.066 1.00 0.00 C ATOM 923 CG1 ILE A 57 -25.201 -29.118 5.364 1.00 0.00 C ATOM 924 CG2 ILE A 57 -26.156 -28.369 7.542 1.00 0.00 C ATOM 925 CD1 ILE A 57 -23.882 -29.359 6.100 1.00 0.00 C ATOM 0 H ILE A 57 -26.873 -25.769 5.640 1.00 0.00 H new ATOM 0 HA ILE A 57 -27.431 -28.492 4.512 1.00 0.00 H new ATOM 0 HB ILE A 57 -25.440 -27.062 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -25.791 -30.034 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -25.006 -28.842 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -25.177 -28.486 8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -26.706 -27.576 8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -26.710 -29.304 7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -23.326 -30.152 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -23.291 -28.443 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -24.088 -29.654 7.129 1.00 0.00 H new ATOM 937 N GLN A 58 -29.044 -27.236 7.012 1.00 0.00 N ATOM 938 CA GLN A 58 -30.190 -27.524 7.919 1.00 0.00 C ATOM 939 C GLN A 58 -31.503 -27.485 7.134 1.00 0.00 C ATOM 940 O GLN A 58 -32.494 -28.066 7.531 1.00 0.00 O ATOM 941 CB GLN A 58 -30.157 -26.407 8.962 1.00 0.00 C ATOM 942 CG GLN A 58 -30.259 -27.012 10.364 1.00 0.00 C ATOM 943 CD GLN A 58 -29.038 -27.895 10.629 1.00 0.00 C ATOM 944 OE1 GLN A 58 -29.011 -29.047 10.246 1.00 0.00 O ATOM 945 NE2 GLN A 58 -28.017 -27.399 11.273 1.00 0.00 N ATOM 0 H GLN A 58 -28.725 -26.267 7.010 1.00 0.00 H new ATOM 0 HA GLN A 58 -30.120 -28.511 8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -29.234 -25.835 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -30.981 -25.713 8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -30.317 -26.220 11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -31.172 -27.600 10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -28.038 -26.431 11.595 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -27.198 -27.979 11.454 1.00 0.00 H new ATOM 954 N ASN A 59 -31.517 -26.804 6.021 1.00 0.00 N ATOM 955 CA ASN A 59 -32.764 -26.725 5.208 1.00 0.00 C ATOM 956 C ASN A 59 -32.777 -27.828 4.147 1.00 0.00 C ATOM 957 O ASN A 59 -33.820 -28.311 3.752 1.00 0.00 O ATOM 958 CB ASN A 59 -32.716 -25.347 4.547 1.00 0.00 C ATOM 959 CG ASN A 59 -34.109 -24.716 4.579 1.00 0.00 C ATOM 960 OD1 ASN A 59 -35.067 -25.350 4.973 1.00 0.00 O ATOM 961 ND2 ASN A 59 -34.263 -23.484 4.176 1.00 0.00 N ATOM 0 H ASN A 59 -30.718 -26.298 5.639 1.00 0.00 H new ATOM 0 HA ASN A 59 -33.661 -26.858 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -32.003 -24.707 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -32.370 -25.438 3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -35.188 -23.054 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -33.459 -22.951 3.845 1.00 0.00 H new ATOM 968 N LEU A 60 -31.627 -28.229 3.682 1.00 0.00 N ATOM 969 CA LEU A 60 -31.573 -29.301 2.647 1.00 0.00 C ATOM 970 C LEU A 60 -31.598 -30.680 3.309 1.00 0.00 C ATOM 971 O LEU A 60 -32.049 -31.649 2.731 1.00 0.00 O ATOM 972 CB LEU A 60 -30.248 -29.081 1.917 1.00 0.00 C ATOM 973 CG LEU A 60 -30.468 -29.208 0.409 1.00 0.00 C ATOM 974 CD1 LEU A 60 -31.048 -30.587 0.091 1.00 0.00 C ATOM 975 CD2 LEU A 60 -31.445 -28.126 -0.055 1.00 0.00 C ATOM 0 H LEU A 60 -30.721 -27.861 3.973 1.00 0.00 H new ATOM 0 HA LEU A 60 -32.425 -29.261 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -29.849 -28.095 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -29.511 -29.812 2.250 1.00 0.00 H new ATOM 0 HG LEU A 60 -29.516 -29.087 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -31.205 -30.677 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -30.354 -31.359 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -32.000 -30.709 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -31.603 -28.215 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -32.396 -28.248 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -31.033 -27.143 0.171 1.00 0.00 H new