USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 581 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 396 HIS : no HE2:sc= -2.54! C(o=-2.3!,f=-4.5!) USER MOD Set 1.2: A 405 THR OG1 : rot -90:sc= 0.23 USER MOD Set 2.1: A 373 GLN : amide:sc= 0 X(o=-0.02,f=-0.02) USER MOD Set 2.2: A 390 LYS NZ :NH3+ 151:sc= -0.0197 (180deg=-1.41) USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0.0876 USER MOD Set 3.2: A 380 SER OG : rot 88:sc= 0.0911 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HE2:sc= -0.62 K(o=-0.62,f=-3.2!) USER MOD Single : A 357 MET CE :methyl 157:sc= -0.217 (180deg=-0.897) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN :FLIP amide:sc= -0.432 F(o=-2.8,f=-0.43) USER MOD Single : A 364 LYS NZ :NH3+ 145:sc= -3.32! (180deg=-6.04!) USER MOD Single : A 365 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0053) USER MOD Single : A 366 LYS NZ :NH3+ -145:sc= -6.22! (180deg=-10.4!) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.866 F(o=-3.1!,f=-0.87) USER MOD Single : A 383 LYS NZ :NH3+ -167:sc= -0.0432 (180deg=-0.29) USER MOD Single : A 384 LYS NZ :NH3+ -139:sc=-0.000588 (180deg=-1.75!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.4) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.242 F(o=-3!,f=-0.24) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0392 (180deg=-0.255) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc= -0.0249 (180deg=-0.211) USER MOD Single : A 408 LYS NZ :NH3+ 165:sc= -0.0526 (180deg=-0.331) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= -0.0404 (180deg=-0.302) USER MOD Single : A 418 THR OG1 : rot -0:sc= 0.771 USER MOD Single : A 420 LYS NZ :NH3+ -168:sc= -0.0219 (180deg=-0.185) USER MOD Single : A 423 LYS NZ :NH3+ -165:sc= -0.0276 (180deg=-0.293) USER MOD Single : A 424 THR OG1 : rot 33:sc= 0.0495 USER MOD Single : A 426 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-2.9!) USER MOD Single : A 427 THR OG1 : rot -15:sc= 0.794 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -2:sc= 0.0623 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 17.118 -17.064 -20.211 1.00 0.00 N ATOM 2 CA GLY A 354 17.329 -15.626 -19.882 1.00 0.00 C ATOM 3 C GLY A 354 16.948 -15.298 -18.452 1.00 0.00 C ATOM 4 O GLY A 354 15.870 -15.670 -17.988 1.00 0.00 O ATOM 0 HA2 GLY A 354 18.376 -15.369 -20.044 1.00 0.00 H new ATOM 0 HA3 GLY A 354 16.740 -15.010 -20.562 1.00 0.00 H new ATOM 10 N SER A 355 17.835 -14.598 -17.752 1.00 0.00 N ATOM 11 CA SER A 355 17.590 -14.217 -16.365 1.00 0.00 C ATOM 12 C SER A 355 16.446 -13.213 -16.266 1.00 0.00 C ATOM 13 O SER A 355 15.551 -13.359 -15.434 1.00 0.00 O ATOM 14 CB SER A 355 18.857 -13.625 -15.745 1.00 0.00 C ATOM 15 OG SER A 355 18.637 -13.246 -14.397 1.00 0.00 O ATOM 0 H SER A 355 18.731 -14.283 -18.123 1.00 0.00 H new ATOM 0 HA SER A 355 17.308 -15.115 -15.815 1.00 0.00 H new ATOM 0 HB2 SER A 355 19.665 -14.355 -15.793 1.00 0.00 H new ATOM 0 HB3 SER A 355 19.177 -12.757 -16.322 1.00 0.00 H new ATOM 0 HG SER A 355 19.462 -12.872 -14.023 1.00 0.00 H new ATOM 21 N HIS A 356 16.483 -12.192 -17.118 1.00 0.00 N ATOM 22 CA HIS A 356 15.451 -11.160 -17.125 1.00 0.00 C ATOM 23 C HIS A 356 14.078 -11.753 -17.425 1.00 0.00 C ATOM 24 O HIS A 356 13.935 -12.603 -18.305 1.00 0.00 O ATOM 25 CB HIS A 356 15.796 -10.072 -18.147 1.00 0.00 C ATOM 26 CG HIS A 356 16.045 -10.597 -19.527 1.00 0.00 C ATOM 27 ND1 HIS A 356 15.089 -11.260 -20.267 1.00 0.00 N ATOM 28 CD2 HIS A 356 17.155 -10.555 -20.303 1.00 0.00 C ATOM 29 CE1 HIS A 356 15.600 -11.605 -21.437 1.00 0.00 C ATOM 30 NE2 HIS A 356 16.851 -11.188 -21.482 1.00 0.00 N ATOM 0 H HIS A 356 17.217 -12.057 -17.813 1.00 0.00 H new ATOM 0 HA HIS A 356 15.414 -10.714 -16.131 1.00 0.00 H new ATOM 0 HB2 HIS A 356 14.980 -9.350 -18.185 1.00 0.00 H new ATOM 0 HB3 HIS A 356 16.682 -9.535 -17.807 1.00 0.00 H new ATOM 0 HD1 HIS A 356 14.136 -11.454 -19.960 1.00 0.00 H new ATOM 0 HD2 HIS A 356 18.102 -10.107 -20.042 1.00 0.00 H new ATOM 0 HE1 HIS A 356 15.082 -12.137 -22.221 1.00 0.00 H new ATOM 39 N MET A 357 13.073 -11.296 -16.681 1.00 0.00 N ATOM 40 CA MET A 357 11.704 -11.773 -16.852 1.00 0.00 C ATOM 41 C MET A 357 10.750 -11.011 -15.936 1.00 0.00 C ATOM 42 O MET A 357 9.618 -10.706 -16.313 1.00 0.00 O ATOM 43 CB MET A 357 11.618 -13.275 -16.565 1.00 0.00 C ATOM 44 CG MET A 357 12.071 -13.657 -15.165 1.00 0.00 C ATOM 45 SD MET A 357 12.021 -15.437 -14.881 1.00 0.00 S ATOM 46 CE MET A 357 13.160 -16.013 -16.138 1.00 0.00 C ATOM 0 H MET A 357 13.183 -10.592 -15.951 1.00 0.00 H new ATOM 0 HA MET A 357 11.410 -11.596 -17.887 1.00 0.00 H new ATOM 0 HB2 MET A 357 10.589 -13.605 -16.707 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.227 -13.810 -17.293 1.00 0.00 H new ATOM 0 HG2 MET A 357 13.087 -13.296 -15.005 1.00 0.00 H new ATOM 0 HG3 MET A 357 11.436 -13.158 -14.433 1.00 0.00 H new ATOM 0 HE1 MET A 357 13.553 -16.989 -15.853 1.00 0.00 H new ATOM 0 HE2 MET A 357 12.638 -16.096 -17.091 1.00 0.00 H new ATOM 0 HE3 MET A 357 13.983 -15.305 -16.235 1.00 0.00 H new ATOM 56 N LEU A 358 11.220 -10.707 -14.729 1.00 0.00 N ATOM 57 CA LEU A 358 10.421 -9.982 -13.747 1.00 0.00 C ATOM 58 C LEU A 358 9.967 -8.632 -14.295 1.00 0.00 C ATOM 59 O LEU A 358 10.713 -7.959 -15.007 1.00 0.00 O ATOM 60 CB LEU A 358 11.223 -9.778 -12.460 1.00 0.00 C ATOM 61 CG LEU A 358 11.685 -11.064 -11.770 1.00 0.00 C ATOM 62 CD1 LEU A 358 12.541 -10.738 -10.556 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.488 -11.912 -11.365 1.00 0.00 C ATOM 0 H LEU A 358 12.156 -10.954 -14.407 1.00 0.00 H new ATOM 0 HA LEU A 358 9.535 -10.578 -13.528 1.00 0.00 H new ATOM 0 HB2 LEU A 358 12.100 -9.172 -12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 358 10.615 -9.206 -11.759 1.00 0.00 H new ATOM 0 HG LEU A 358 12.289 -11.635 -12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 358 12.861 -11.664 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 358 13.417 -10.170 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 358 11.960 -10.146 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 358 10.836 -12.822 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 358 9.859 -11.348 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 358 9.911 -12.174 -12.252 1.00 0.00 H new ATOM 75 N GLU A 359 8.740 -8.245 -13.960 1.00 0.00 N ATOM 76 CA GLU A 359 8.181 -6.977 -14.418 1.00 0.00 C ATOM 77 C GLU A 359 9.059 -5.804 -13.987 1.00 0.00 C ATOM 78 O GLU A 359 9.584 -5.783 -12.876 1.00 0.00 O ATOM 79 CB GLU A 359 6.761 -6.795 -13.873 1.00 0.00 C ATOM 80 CG GLU A 359 6.089 -5.512 -14.338 1.00 0.00 C ATOM 81 CD GLU A 359 4.677 -5.360 -13.802 1.00 0.00 C ATOM 82 OE1 GLU A 359 4.215 -6.268 -13.078 1.00 0.00 O ATOM 83 OE2 GLU A 359 4.032 -4.335 -14.109 1.00 0.00 O ATOM 0 H GLU A 359 8.112 -8.793 -13.372 1.00 0.00 H new ATOM 0 HA GLU A 359 8.146 -6.998 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 359 6.152 -7.646 -14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 359 6.795 -6.803 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 359 6.687 -4.658 -14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 359 6.063 -5.495 -15.428 1.00 0.00 H new ATOM 90 N VAL A 360 9.214 -4.832 -14.882 1.00 0.00 N ATOM 91 CA VAL A 360 10.027 -3.652 -14.606 1.00 0.00 C ATOM 92 C VAL A 360 9.285 -2.657 -13.718 1.00 0.00 C ATOM 93 O VAL A 360 8.053 -2.624 -13.703 1.00 0.00 O ATOM 94 CB VAL A 360 10.451 -2.942 -15.906 1.00 0.00 C ATOM 95 CG1 VAL A 360 11.279 -3.871 -16.779 1.00 0.00 C ATOM 96 CG2 VAL A 360 9.233 -2.433 -16.663 1.00 0.00 C ATOM 0 H VAL A 360 8.785 -4.839 -15.808 1.00 0.00 H new ATOM 0 HA VAL A 360 10.917 -4.004 -14.084 1.00 0.00 H new ATOM 0 HB VAL A 360 11.069 -2.084 -15.641 1.00 0.00 H new ATOM 0 HG11 VAL A 360 11.568 -3.351 -17.692 1.00 0.00 H new ATOM 0 HG12 VAL A 360 12.174 -4.178 -16.237 1.00 0.00 H new ATOM 0 HG13 VAL A 360 10.690 -4.752 -17.035 1.00 0.00 H new ATOM 0 HG21 VAL A 360 9.555 -1.935 -17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 360 8.585 -3.272 -16.916 1.00 0.00 H new ATOM 0 HG23 VAL A 360 8.686 -1.727 -16.039 1.00 0.00 H new ATOM 106 N LEU A 361 10.048 -1.843 -12.990 1.00 0.00 N ATOM 107 CA LEU A 361 9.481 -0.828 -12.105 1.00 0.00 C ATOM 108 C LEU A 361 8.676 -1.453 -10.967 1.00 0.00 C ATOM 109 O LEU A 361 7.501 -1.133 -10.778 1.00 0.00 O ATOM 110 CB LEU A 361 8.602 0.141 -12.900 1.00 0.00 C ATOM 111 CG LEU A 361 9.306 0.874 -14.045 1.00 0.00 C ATOM 112 CD1 LEU A 361 8.326 1.775 -14.780 1.00 0.00 C ATOM 113 CD2 LEU A 361 10.484 1.685 -13.520 1.00 0.00 C ATOM 0 H LEU A 361 11.068 -1.868 -12.997 1.00 0.00 H new ATOM 0 HA LEU A 361 10.312 -0.279 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.758 -0.413 -13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 361 8.193 0.882 -12.213 1.00 0.00 H new ATOM 0 HG LEU A 361 9.687 0.131 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 361 8.842 2.289 -15.591 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.515 1.173 -15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 361 7.917 2.510 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 361 10.971 2.198 -14.349 1.00 0.00 H new ATOM 0 HD22 LEU A 361 10.127 2.419 -12.798 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.198 1.018 -13.037 1.00 0.00 H new ATOM 125 N THR A 362 9.317 -2.335 -10.206 1.00 0.00 N ATOM 126 CA THR A 362 8.664 -2.992 -9.077 1.00 0.00 C ATOM 127 C THR A 362 9.661 -3.812 -8.264 1.00 0.00 C ATOM 128 O THR A 362 9.656 -3.764 -7.033 1.00 0.00 O ATOM 129 CB THR A 362 7.508 -3.906 -9.536 1.00 0.00 C ATOM 130 OG1 THR A 362 6.920 -4.557 -8.404 1.00 0.00 O ATOM 131 CG2 THR A 362 7.992 -4.948 -10.530 1.00 0.00 C ATOM 0 H THR A 362 10.288 -2.612 -10.350 1.00 0.00 H new ATOM 0 HA THR A 362 8.254 -2.200 -8.451 1.00 0.00 H new ATOM 0 HB THR A 362 6.762 -3.283 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 362 6.186 -5.134 -8.703 1.00 0.00 H new ATOM 0 HG21 THR A 362 7.155 -5.577 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 362 8.409 -4.450 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.759 -5.566 -10.064 1.00 0.00 H new ATOM 139 N GLN A 363 10.517 -4.559 -8.956 1.00 0.00 N ATOM 140 CA GLN A 363 11.524 -5.386 -8.297 1.00 0.00 C ATOM 141 C GLN A 363 12.424 -6.066 -9.324 1.00 0.00 C ATOM 142 O GLN A 363 12.076 -7.113 -9.870 1.00 0.00 O ATOM 143 CB GLN A 363 10.853 -6.443 -7.412 1.00 0.00 C ATOM 144 CG GLN A 363 11.839 -7.340 -6.674 1.00 0.00 C ATOM 145 CD GLN A 363 12.661 -6.601 -5.628 1.00 0.00 C ATOM 146 OE1 GLN A 363 12.356 -5.325 -5.406 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 13.560 -7.178 -5.017 1.00 0.00 N flip ATOM 0 H GLN A 363 10.533 -4.609 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 363 12.137 -4.737 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 363 10.215 -5.942 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.204 -7.063 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 363 11.291 -8.149 -6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 363 12.513 -7.799 -7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 363 13.764 -8.157 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 363 14.101 -6.677 -4.312 1.00 0.00 H new ATOM 156 N LYS A 364 13.581 -5.465 -9.581 1.00 0.00 N ATOM 157 CA LYS A 364 14.529 -6.012 -10.537 1.00 0.00 C ATOM 158 C LYS A 364 15.930 -5.478 -10.263 1.00 0.00 C ATOM 159 O LYS A 364 16.178 -4.875 -9.218 1.00 0.00 O ATOM 160 CB LYS A 364 14.101 -5.676 -11.968 1.00 0.00 C ATOM 161 CG LYS A 364 14.062 -4.185 -12.261 1.00 0.00 C ATOM 162 CD LYS A 364 13.546 -3.893 -13.666 1.00 0.00 C ATOM 163 CE LYS A 364 14.481 -4.424 -14.745 1.00 0.00 C ATOM 164 NZ LYS A 364 14.480 -5.913 -14.809 1.00 0.00 N ATOM 0 H LYS A 364 13.883 -4.597 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 364 14.544 -7.096 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 364 14.788 -6.156 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 364 13.113 -6.099 -12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 364 13.424 -3.688 -11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 364 15.062 -3.767 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 364 12.560 -4.341 -13.789 1.00 0.00 H new ATOM 0 HD3 LYS A 364 13.425 -2.817 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 364 14.183 -4.020 -15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 364 15.494 -4.071 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 14.592 -6.218 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.267 -6.285 -14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 13.580 -6.276 -14.434 1.00 0.00 H new ATOM 178 N HIS A 365 16.838 -5.707 -11.204 1.00 0.00 N ATOM 179 CA HIS A 365 18.220 -5.253 -11.071 1.00 0.00 C ATOM 180 C HIS A 365 18.288 -3.775 -10.684 1.00 0.00 C ATOM 181 O HIS A 365 19.313 -3.302 -10.193 1.00 0.00 O ATOM 182 CB HIS A 365 18.981 -5.483 -12.380 1.00 0.00 C ATOM 183 CG HIS A 365 19.078 -6.925 -12.780 1.00 0.00 C ATOM 184 ND1 HIS A 365 19.708 -7.343 -13.935 1.00 0.00 N ATOM 185 CD2 HIS A 365 18.627 -8.050 -12.173 1.00 0.00 C ATOM 186 CE1 HIS A 365 19.638 -8.660 -14.021 1.00 0.00 C ATOM 187 NE2 HIS A 365 18.988 -9.112 -12.966 1.00 0.00 N ATOM 0 H HIS A 365 16.642 -6.206 -12.072 1.00 0.00 H new ATOM 0 HA HIS A 365 18.685 -5.834 -10.275 1.00 0.00 H new ATOM 0 HB2 HIS A 365 18.489 -4.927 -13.178 1.00 0.00 H new ATOM 0 HB3 HIS A 365 19.987 -5.075 -12.281 1.00 0.00 H new ATOM 0 HD2 HIS A 365 18.085 -8.102 -11.240 1.00 0.00 H new ATOM 0 HE1 HIS A 365 20.044 -9.263 -14.819 1.00 0.00 H new ATOM 0 HE2 HIS A 365 18.786 -10.092 -12.770 1.00 0.00 H new ATOM 196 N LYS A 366 17.194 -3.052 -10.909 1.00 0.00 N ATOM 197 CA LYS A 366 17.136 -1.630 -10.583 1.00 0.00 C ATOM 198 C LYS A 366 17.273 -1.406 -9.076 1.00 0.00 C ATOM 199 O LYS A 366 16.698 -2.145 -8.277 1.00 0.00 O ATOM 200 CB LYS A 366 15.826 -1.022 -11.090 1.00 0.00 C ATOM 201 CG LYS A 366 15.662 -1.106 -12.600 1.00 0.00 C ATOM 202 CD LYS A 366 14.330 -0.530 -13.067 1.00 0.00 C ATOM 203 CE LYS A 366 14.264 0.983 -12.897 1.00 0.00 C ATOM 204 NZ LYS A 366 14.262 1.395 -11.466 1.00 0.00 N ATOM 0 H LYS A 366 16.337 -3.427 -11.315 1.00 0.00 H new ATOM 0 HA LYS A 366 17.971 -1.135 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.989 -1.532 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 366 15.778 0.023 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 366 16.478 -0.568 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 366 15.736 -2.147 -12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 366 14.175 -0.783 -14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 366 13.519 -0.993 -12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 366 15.115 1.440 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 366 13.364 1.361 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 13.663 2.237 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 13.889 0.620 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 15.233 1.617 -11.167 1.00 0.00 H new ATOM 218 N PRO A 367 18.041 -0.376 -8.667 1.00 0.00 N ATOM 219 CA PRO A 367 18.251 -0.056 -7.253 1.00 0.00 C ATOM 220 C PRO A 367 17.069 0.685 -6.634 1.00 0.00 C ATOM 221 O PRO A 367 17.246 1.689 -5.945 1.00 0.00 O ATOM 222 CB PRO A 367 19.486 0.831 -7.284 1.00 0.00 C ATOM 223 CG PRO A 367 19.426 1.519 -8.598 1.00 0.00 C ATOM 224 CD PRO A 367 18.763 0.562 -9.552 1.00 0.00 C ATOM 0 HA PRO A 367 18.362 -0.952 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 367 19.480 1.547 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 367 20.398 0.242 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 367 18.860 2.448 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 367 20.426 1.782 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 367 18.082 1.079 -10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 367 19.495 0.044 -10.172 1.00 0.00 H new ATOM 232 N ALA A 368 15.864 0.177 -6.883 1.00 0.00 N ATOM 233 CA ALA A 368 14.645 0.781 -6.353 1.00 0.00 C ATOM 234 C ALA A 368 14.503 2.233 -6.799 1.00 0.00 C ATOM 235 O ALA A 368 14.076 3.092 -6.026 1.00 0.00 O ATOM 236 CB ALA A 368 14.625 0.689 -4.833 1.00 0.00 C ATOM 0 H ALA A 368 15.706 -0.655 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 368 13.797 0.225 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 368 13.710 1.144 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 368 14.663 -0.358 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 368 15.488 1.215 -4.425 1.00 0.00 H new ATOM 242 N GLU A 369 14.858 2.501 -8.052 1.00 0.00 N ATOM 243 CA GLU A 369 14.762 3.848 -8.601 1.00 0.00 C ATOM 244 C GLU A 369 13.304 4.255 -8.774 1.00 0.00 C ATOM 245 O GLU A 369 12.953 5.428 -8.645 1.00 0.00 O ATOM 246 CB GLU A 369 15.494 3.934 -9.943 1.00 0.00 C ATOM 247 CG GLU A 369 15.471 5.325 -10.561 1.00 0.00 C ATOM 248 CD GLU A 369 16.207 5.390 -11.887 1.00 0.00 C ATOM 249 OE1 GLU A 369 16.728 4.345 -12.330 1.00 0.00 O ATOM 250 OE2 GLU A 369 16.261 6.487 -12.481 1.00 0.00 O ATOM 0 H GLU A 369 15.214 1.803 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 369 15.234 4.535 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.530 3.625 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 369 15.042 3.228 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 369 14.437 5.635 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 369 15.920 6.034 -9.866 1.00 0.00 H new ATOM 257 N SER A 370 12.465 3.271 -9.073 1.00 0.00 N ATOM 258 CA SER A 370 11.039 3.505 -9.276 1.00 0.00 C ATOM 259 C SER A 370 10.417 4.213 -8.076 1.00 0.00 C ATOM 260 O SER A 370 10.695 3.870 -6.926 1.00 0.00 O ATOM 261 CB SER A 370 10.319 2.180 -9.530 1.00 0.00 C ATOM 262 OG SER A 370 10.477 1.295 -8.435 1.00 0.00 O ATOM 0 H SER A 370 12.749 2.297 -9.181 1.00 0.00 H new ATOM 0 HA SER A 370 10.926 4.150 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 370 9.259 2.366 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.712 1.717 -10.435 1.00 0.00 H new ATOM 0 HG SER A 370 10.006 0.456 -8.622 1.00 0.00 H new ATOM 268 N GLN A 371 9.576 5.203 -8.357 1.00 0.00 N ATOM 269 CA GLN A 371 8.907 5.970 -7.311 1.00 0.00 C ATOM 270 C GLN A 371 8.029 5.072 -6.444 1.00 0.00 C ATOM 271 O GLN A 371 7.377 4.154 -6.943 1.00 0.00 O ATOM 272 CB GLN A 371 8.059 7.081 -7.933 1.00 0.00 C ATOM 273 CG GLN A 371 8.865 8.063 -8.766 1.00 0.00 C ATOM 274 CD GLN A 371 8.000 9.138 -9.398 1.00 0.00 C ATOM 275 OE1 GLN A 371 7.323 9.895 -8.702 1.00 0.00 O ATOM 276 NE2 GLN A 371 8.021 9.210 -10.723 1.00 0.00 N ATOM 0 H GLN A 371 9.340 5.494 -9.306 1.00 0.00 H new ATOM 0 HA GLN A 371 9.674 6.413 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 371 7.289 6.632 -8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 371 7.547 7.625 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 371 9.621 8.533 -8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.395 7.521 -9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.597 8.562 -11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 371 7.461 9.914 -11.204 1.00 0.00 H new ATOM 285 N GLN A 372 8.021 5.347 -5.143 1.00 0.00 N ATOM 286 CA GLN A 372 7.228 4.572 -4.194 1.00 0.00 C ATOM 287 C GLN A 372 5.744 4.612 -4.555 1.00 0.00 C ATOM 288 O GLN A 372 5.253 5.606 -5.088 1.00 0.00 O ATOM 289 CB GLN A 372 7.431 5.108 -2.775 1.00 0.00 C ATOM 290 CG GLN A 372 7.055 6.573 -2.618 1.00 0.00 C ATOM 291 CD GLN A 372 7.245 7.073 -1.201 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.162 7.539 -0.588 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 8.350 7.041 -0.661 1.00 0.00 N flip ATOM 0 H GLN A 372 8.558 6.105 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 372 7.565 3.536 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.836 4.513 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 372 8.476 4.977 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.660 7.175 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.014 6.711 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.155 6.675 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 372 8.461 7.381 0.294 1.00 0.00 H new ATOM 302 N GLN A 373 5.040 3.521 -4.257 1.00 0.00 N ATOM 303 CA GLN A 373 3.611 3.420 -4.544 1.00 0.00 C ATOM 304 C GLN A 373 2.865 4.653 -4.037 1.00 0.00 C ATOM 305 O GLN A 373 3.196 5.201 -2.985 1.00 0.00 O ATOM 306 CB GLN A 373 3.030 2.155 -3.908 1.00 0.00 C ATOM 307 CG GLN A 373 1.548 1.955 -4.181 1.00 0.00 C ATOM 308 CD GLN A 373 1.011 0.676 -3.567 1.00 0.00 C ATOM 309 OE1 GLN A 373 1.071 0.483 -2.353 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.482 -0.207 -4.406 1.00 0.00 N ATOM 0 H GLN A 373 5.438 2.692 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 373 3.485 3.363 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 373 3.578 1.289 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.189 2.196 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.991 2.805 -3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.380 1.936 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.453 -0.006 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 373 0.105 -1.086 -4.051 1.00 0.00 H new ATOM 319 N ALA A 374 1.859 5.085 -4.793 1.00 0.00 N ATOM 320 CA ALA A 374 1.071 6.251 -4.426 1.00 0.00 C ATOM 321 C ALA A 374 -0.331 5.844 -4.001 1.00 0.00 C ATOM 322 O ALA A 374 -0.898 4.894 -4.540 1.00 0.00 O ATOM 323 CB ALA A 374 1.007 7.235 -5.585 1.00 0.00 C ATOM 0 H ALA A 374 1.572 4.641 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 374 1.557 6.738 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 374 0.414 8.102 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.015 7.556 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.546 6.753 -6.447 1.00 0.00 H new ATOM 329 N ALA A 375 -0.880 6.566 -3.030 1.00 0.00 N ATOM 330 CA ALA A 375 -2.213 6.282 -2.528 1.00 0.00 C ATOM 331 C ALA A 375 -3.214 6.147 -3.670 1.00 0.00 C ATOM 332 O ALA A 375 -3.716 7.145 -4.189 1.00 0.00 O ATOM 333 CB ALA A 375 -2.652 7.376 -1.564 1.00 0.00 C ATOM 0 H ALA A 375 -0.418 7.354 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.182 5.331 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.653 7.154 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.957 7.423 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -2.662 8.335 -2.082 1.00 0.00 H new ATOM 339 N GLU A 376 -3.486 4.898 -4.052 1.00 0.00 N ATOM 340 CA GLU A 376 -4.418 4.578 -5.126 1.00 0.00 C ATOM 341 C GLU A 376 -5.565 5.570 -5.187 1.00 0.00 C ATOM 342 O GLU A 376 -6.091 5.998 -4.163 1.00 0.00 O ATOM 343 CB GLU A 376 -4.967 3.166 -4.937 1.00 0.00 C ATOM 344 CG GLU A 376 -3.927 2.081 -5.152 1.00 0.00 C ATOM 345 CD GLU A 376 -3.467 1.981 -6.596 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.985 2.741 -7.441 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.590 1.138 -6.880 1.00 0.00 O ATOM 0 H GLU A 376 -3.061 4.077 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.872 4.637 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.374 3.074 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.793 3.010 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.065 2.279 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.340 1.122 -4.840 1.00 0.00 H new ATOM 354 N THR A 377 -5.925 5.941 -6.400 1.00 0.00 N ATOM 355 CA THR A 377 -6.991 6.901 -6.629 1.00 0.00 C ATOM 356 C THR A 377 -8.363 6.247 -6.591 1.00 0.00 C ATOM 357 O THR A 377 -8.504 5.058 -6.866 1.00 0.00 O ATOM 358 CB THR A 377 -6.778 7.612 -7.968 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.000 6.704 -9.054 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.357 8.142 -8.025 1.00 0.00 C ATOM 0 H THR A 377 -5.490 5.588 -7.252 1.00 0.00 H new ATOM 0 HA THR A 377 -6.957 7.632 -5.821 1.00 0.00 H new ATOM 0 HB THR A 377 -7.485 8.437 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.862 7.171 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.196 8.650 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.197 8.844 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.655 7.313 -7.934 1.00 0.00 H new ATOM 368 N GLU A 378 -9.364 7.040 -6.225 1.00 0.00 N ATOM 369 CA GLU A 378 -10.739 6.560 -6.122 1.00 0.00 C ATOM 370 C GLU A 378 -11.130 5.720 -7.327 1.00 0.00 C ATOM 371 O GLU A 378 -11.717 4.650 -7.185 1.00 0.00 O ATOM 372 CB GLU A 378 -11.700 7.742 -5.981 1.00 0.00 C ATOM 373 CG GLU A 378 -13.151 7.329 -5.799 1.00 0.00 C ATOM 374 CD GLU A 378 -14.088 8.516 -5.694 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.920 9.326 -4.758 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.992 8.636 -6.548 1.00 0.00 O ATOM 0 H GLU A 378 -9.248 8.026 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.804 5.929 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.394 8.348 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.619 8.373 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.455 6.705 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.241 6.720 -4.900 1.00 0.00 H new ATOM 383 N GLY A 379 -10.805 6.213 -8.513 1.00 0.00 N ATOM 384 CA GLY A 379 -11.140 5.492 -9.723 1.00 0.00 C ATOM 385 C GLY A 379 -10.506 4.120 -9.789 1.00 0.00 C ATOM 386 O GLY A 379 -11.119 3.172 -10.280 1.00 0.00 O ATOM 0 H GLY A 379 -10.317 7.097 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.223 5.389 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.821 6.075 -10.587 1.00 0.00 H new ATOM 390 N SER A 380 -9.279 4.011 -9.305 1.00 0.00 N ATOM 391 CA SER A 380 -8.570 2.739 -9.325 1.00 0.00 C ATOM 392 C SER A 380 -9.056 1.798 -8.224 1.00 0.00 C ATOM 393 O SER A 380 -9.302 0.613 -8.466 1.00 0.00 O ATOM 394 CB SER A 380 -7.072 2.974 -9.183 1.00 0.00 C ATOM 395 OG SER A 380 -6.573 3.768 -10.246 1.00 0.00 O ATOM 0 H SER A 380 -8.754 4.784 -8.895 1.00 0.00 H new ATOM 0 HA SER A 380 -8.777 2.262 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.867 3.465 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.551 2.017 -9.166 1.00 0.00 H new ATOM 0 HG SER A 380 -6.662 4.716 -10.016 1.00 0.00 H new ATOM 401 N CYS A 381 -9.175 2.324 -7.010 1.00 0.00 N ATOM 402 CA CYS A 381 -9.600 1.515 -5.878 1.00 0.00 C ATOM 403 C CYS A 381 -10.975 0.900 -6.093 1.00 0.00 C ATOM 404 O CYS A 381 -11.236 -0.211 -5.632 1.00 0.00 O ATOM 405 CB CYS A 381 -9.596 2.317 -4.587 1.00 0.00 C ATOM 406 SG CYS A 381 -9.799 1.259 -3.130 1.00 0.00 S ATOM 0 H CYS A 381 -8.984 3.301 -6.787 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.875 0.706 -5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -8.660 2.869 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.399 3.053 -4.615 1.00 0.00 H new ATOM 411 N ASN A 382 -11.853 1.609 -6.795 1.00 0.00 N ATOM 412 CA ASN A 382 -13.189 1.088 -7.063 1.00 0.00 C ATOM 413 C ASN A 382 -13.067 -0.296 -7.673 1.00 0.00 C ATOM 414 O ASN A 382 -13.934 -1.154 -7.499 1.00 0.00 O ATOM 415 CB ASN A 382 -13.955 2.008 -8.016 1.00 0.00 C ATOM 416 CG ASN A 382 -14.252 3.370 -7.416 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.896 3.558 -6.150 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.806 4.242 -8.083 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.668 2.533 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.742 1.036 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.376 2.138 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.893 1.529 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.063 4.056 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.009 5.151 -7.667 1.00 0.00 H new ATOM 425 N LYS A 383 -11.968 -0.494 -8.385 1.00 0.00 N ATOM 426 CA LYS A 383 -11.683 -1.758 -9.033 1.00 0.00 C ATOM 427 C LYS A 383 -10.990 -2.715 -8.065 1.00 0.00 C ATOM 428 O LYS A 383 -11.119 -3.933 -8.190 1.00 0.00 O ATOM 429 CB LYS A 383 -10.811 -1.520 -10.266 1.00 0.00 C ATOM 430 CG LYS A 383 -11.291 -0.358 -11.127 1.00 0.00 C ATOM 431 CD LYS A 383 -12.724 -0.554 -11.603 1.00 0.00 C ATOM 432 CE LYS A 383 -12.856 -1.775 -12.500 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.972 -1.685 -13.694 1.00 0.00 N ATOM 0 H LYS A 383 -11.252 0.218 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.623 -2.214 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.787 -1.328 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.792 -2.427 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.222 0.568 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.634 -0.251 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -13.382 -0.663 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -13.052 0.333 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.608 -2.671 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.892 -1.878 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.245 -2.414 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.069 -0.745 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.984 -1.833 -13.406 1.00 0.00 H new ATOM 447 N LYS A 384 -10.249 -2.158 -7.101 1.00 0.00 N ATOM 448 CA LYS A 384 -9.538 -2.968 -6.123 1.00 0.00 C ATOM 449 C LYS A 384 -10.482 -3.893 -5.363 1.00 0.00 C ATOM 450 O LYS A 384 -11.459 -3.446 -4.763 1.00 0.00 O ATOM 451 CB LYS A 384 -8.800 -2.058 -5.142 1.00 0.00 C ATOM 452 CG LYS A 384 -7.442 -1.567 -5.630 1.00 0.00 C ATOM 453 CD LYS A 384 -7.479 -1.064 -7.065 1.00 0.00 C ATOM 454 CE LYS A 384 -7.116 -2.156 -8.061 1.00 0.00 C ATOM 455 NZ LYS A 384 -7.162 -1.662 -9.465 1.00 0.00 N ATOM 0 H LYS A 384 -10.130 -1.152 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.823 -3.592 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.428 -1.194 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.662 -2.594 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.094 -0.766 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.718 -2.378 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.475 -0.684 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.787 -0.229 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.117 -2.531 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.804 -2.994 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.593 -2.387 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.729 -0.792 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.196 -1.462 -9.795 1.00 0.00 H new ATOM 469 N ASP A 385 -10.170 -5.187 -5.379 1.00 0.00 N ATOM 470 CA ASP A 385 -10.975 -6.176 -4.678 1.00 0.00 C ATOM 471 C ASP A 385 -10.685 -6.123 -3.183 1.00 0.00 C ATOM 472 O ASP A 385 -10.002 -5.216 -2.714 1.00 0.00 O ATOM 473 CB ASP A 385 -10.690 -7.578 -5.220 1.00 0.00 C ATOM 474 CG ASP A 385 -11.028 -7.712 -6.693 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.474 -6.713 -7.296 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.846 -8.819 -7.244 1.00 0.00 O ATOM 0 H ASP A 385 -9.364 -5.572 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.028 -5.947 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.637 -7.815 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.266 -8.308 -4.651 1.00 0.00 H new ATOM 481 N GLN A 386 -11.198 -7.097 -2.439 1.00 0.00 N ATOM 482 CA GLN A 386 -10.985 -7.147 -0.995 1.00 0.00 C ATOM 483 C GLN A 386 -9.502 -7.031 -0.657 1.00 0.00 C ATOM 484 O GLN A 386 -9.096 -6.157 0.108 1.00 0.00 O ATOM 485 CB GLN A 386 -11.550 -8.449 -0.423 1.00 0.00 C ATOM 486 CG GLN A 386 -11.428 -8.556 1.088 1.00 0.00 C ATOM 487 CD GLN A 386 -11.931 -9.885 1.619 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.410 -10.944 1.266 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.949 -9.835 2.469 1.00 0.00 N ATOM 0 H GLN A 386 -11.763 -7.861 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.507 -6.302 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.601 -8.532 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.292 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.385 -8.425 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.991 -7.746 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.349 -8.935 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.331 -10.697 2.858 1.00 0.00 H new ATOM 498 N ASN A 387 -8.699 -7.915 -1.236 1.00 0.00 N ATOM 499 CA ASN A 387 -7.261 -7.913 -0.998 1.00 0.00 C ATOM 500 C ASN A 387 -6.609 -6.664 -1.588 1.00 0.00 C ATOM 501 O ASN A 387 -5.579 -6.202 -1.099 1.00 0.00 O ATOM 502 CB ASN A 387 -6.622 -9.170 -1.594 1.00 0.00 C ATOM 503 CG ASN A 387 -5.141 -9.265 -1.302 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.718 -9.225 -0.146 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.344 -9.404 -2.351 1.00 0.00 N ATOM 0 H ASN A 387 -9.020 -8.643 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.098 -7.908 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.124 -10.052 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.777 -9.175 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.336 -9.483 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.739 -9.432 -3.291 1.00 0.00 H new ATOM 512 N GLU A 388 -7.212 -6.128 -2.647 1.00 0.00 N ATOM 513 CA GLU A 388 -6.686 -4.938 -3.310 1.00 0.00 C ATOM 514 C GLU A 388 -7.112 -3.663 -2.592 1.00 0.00 C ATOM 515 O GLU A 388 -6.539 -2.599 -2.822 1.00 0.00 O ATOM 516 CB GLU A 388 -7.127 -4.907 -4.772 1.00 0.00 C ATOM 517 CG GLU A 388 -6.579 -6.062 -5.594 1.00 0.00 C ATOM 518 CD GLU A 388 -6.989 -5.993 -7.053 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.207 -6.013 -7.329 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.093 -5.919 -7.918 1.00 0.00 O ATOM 0 H GLU A 388 -8.066 -6.499 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.598 -4.987 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.216 -4.925 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.805 -3.967 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.491 -6.065 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.928 -7.003 -5.168 1.00 0.00 H new ATOM 527 N CYS A 389 -8.108 -3.776 -1.714 1.00 0.00 N ATOM 528 CA CYS A 389 -8.587 -2.627 -0.955 1.00 0.00 C ATOM 529 C CYS A 389 -7.409 -1.994 -0.225 1.00 0.00 C ATOM 530 O CYS A 389 -7.001 -2.451 0.843 1.00 0.00 O ATOM 531 CB CYS A 389 -9.675 -3.070 0.030 1.00 0.00 C ATOM 532 SG CYS A 389 -10.676 -1.712 0.711 1.00 0.00 S ATOM 0 H CYS A 389 -8.596 -4.649 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 389 -9.025 -1.888 -1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.337 -3.775 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.204 -3.606 0.854 1.00 0.00 H new ATOM 537 N LYS A 390 -6.840 -0.968 -0.848 1.00 0.00 N ATOM 538 CA LYS A 390 -5.667 -0.287 -0.310 1.00 0.00 C ATOM 539 C LYS A 390 -5.979 0.521 0.945 1.00 0.00 C ATOM 540 O LYS A 390 -7.128 0.875 1.210 1.00 0.00 O ATOM 541 CB LYS A 390 -5.055 0.603 -1.382 1.00 0.00 C ATOM 542 CG LYS A 390 -4.603 -0.174 -2.611 1.00 0.00 C ATOM 543 CD LYS A 390 -3.402 -1.054 -2.306 1.00 0.00 C ATOM 544 CE LYS A 390 -2.989 -1.870 -3.520 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.661 -1.006 -4.687 1.00 0.00 N ATOM 0 H LYS A 390 -7.175 -0.587 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.950 -1.053 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.784 1.355 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -4.202 1.136 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -5.424 -0.792 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.351 0.523 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.567 -0.433 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.640 -1.724 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.123 -2.483 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.795 -2.553 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.956 -1.483 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.523 -0.830 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.274 -0.101 -4.351 1.00 0.00 H new ATOM 559 N SER A 391 -4.931 0.786 1.724 1.00 0.00 N ATOM 560 CA SER A 391 -5.048 1.525 2.971 1.00 0.00 C ATOM 561 C SER A 391 -5.669 2.909 2.767 1.00 0.00 C ATOM 562 O SER A 391 -6.656 3.239 3.424 1.00 0.00 O ATOM 563 CB SER A 391 -3.674 1.647 3.628 1.00 0.00 C ATOM 564 OG SER A 391 -3.118 0.371 3.891 1.00 0.00 O ATOM 0 H SER A 391 -3.979 0.493 1.505 1.00 0.00 H new ATOM 0 HA SER A 391 -5.719 0.969 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.006 2.211 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.761 2.208 4.559 1.00 0.00 H new ATOM 0 HG SER A 391 -2.238 0.477 4.310 1.00 0.00 H new ATOM 570 N PRO A 392 -5.119 3.746 1.857 1.00 0.00 N ATOM 571 CA PRO A 392 -5.662 5.078 1.603 1.00 0.00 C ATOM 572 C PRO A 392 -7.149 5.019 1.281 1.00 0.00 C ATOM 573 O PRO A 392 -7.881 5.996 1.457 1.00 0.00 O ATOM 574 CB PRO A 392 -4.868 5.574 0.385 1.00 0.00 C ATOM 575 CG PRO A 392 -4.159 4.388 -0.156 1.00 0.00 C ATOM 576 CD PRO A 392 -3.949 3.476 1.006 1.00 0.00 C ATOM 0 HA PRO A 392 -5.570 5.733 2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.532 6.006 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.162 6.353 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.748 3.901 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.208 4.673 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.908 2.432 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.015 3.692 1.524 1.00 0.00 H new ATOM 584 N CYS A 393 -7.580 3.860 0.798 1.00 0.00 N ATOM 585 CA CYS A 393 -8.972 3.648 0.436 1.00 0.00 C ATOM 586 C CYS A 393 -9.846 3.467 1.669 1.00 0.00 C ATOM 587 O CYS A 393 -9.510 3.925 2.762 1.00 0.00 O ATOM 588 CB CYS A 393 -9.085 2.414 -0.459 1.00 0.00 C ATOM 589 SG CYS A 393 -10.416 2.518 -1.685 1.00 0.00 S ATOM 0 H CYS A 393 -6.980 3.049 0.648 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.322 4.531 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.138 2.265 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.248 1.537 0.167 1.00 0.00 H new ATOM 594 N LYS A 394 -10.964 2.785 1.477 1.00 0.00 N ATOM 595 CA LYS A 394 -11.906 2.513 2.556 1.00 0.00 C ATOM 596 C LYS A 394 -12.736 1.279 2.228 1.00 0.00 C ATOM 597 O LYS A 394 -13.495 1.263 1.260 1.00 0.00 O ATOM 598 CB LYS A 394 -12.810 3.725 2.788 1.00 0.00 C ATOM 599 CG LYS A 394 -13.829 3.530 3.901 1.00 0.00 C ATOM 600 CD LYS A 394 -14.584 4.818 4.201 1.00 0.00 C ATOM 601 CE LYS A 394 -15.339 5.328 2.982 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.106 6.569 3.282 1.00 0.00 N ATOM 0 H LYS A 394 -11.245 2.405 0.573 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.348 2.321 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.189 4.589 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.337 3.955 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.536 2.751 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.323 3.186 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.286 4.646 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.882 5.580 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.634 5.524 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.022 4.556 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.606 6.884 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.797 6.377 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.452 7.315 3.594 1.00 0.00 H new ATOM 616 N TRP A 395 -12.563 0.238 3.035 1.00 0.00 N ATOM 617 CA TRP A 395 -13.266 -1.022 2.834 1.00 0.00 C ATOM 618 C TRP A 395 -14.740 -0.920 3.213 1.00 0.00 C ATOM 619 O TRP A 395 -15.112 -0.177 4.121 1.00 0.00 O ATOM 620 CB TRP A 395 -12.590 -2.132 3.644 1.00 0.00 C ATOM 621 CG TRP A 395 -13.144 -3.501 3.378 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.490 -4.437 4.311 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.404 -4.096 2.099 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.953 -5.573 3.692 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.910 -5.389 2.335 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.261 -3.662 0.776 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.272 -6.247 1.300 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.620 -4.516 -0.249 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.121 -5.796 0.018 1.00 0.00 C ATOM 0 H TRP A 395 -11.937 0.244 3.840 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.217 -1.262 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.523 -2.133 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.694 -1.909 4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.411 -4.303 5.380 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.276 -6.416 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.876 -2.676 0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.659 -7.235 1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.512 -4.191 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.394 -6.440 -0.805 1.00 0.00 H new ATOM 640 N HIS A 396 -15.573 -1.687 2.511 1.00 0.00 N ATOM 641 CA HIS A 396 -17.008 -1.706 2.767 1.00 0.00 C ATOM 642 C HIS A 396 -17.545 -3.131 2.716 1.00 0.00 C ATOM 643 O HIS A 396 -17.647 -3.734 1.642 1.00 0.00 O ATOM 644 CB HIS A 396 -17.749 -0.832 1.753 1.00 0.00 C ATOM 645 CG HIS A 396 -17.497 0.633 1.927 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.807 1.315 3.085 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.964 1.549 1.083 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.477 2.587 2.945 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.963 2.755 1.740 1.00 0.00 N ATOM 0 H HIS A 396 -15.274 -2.306 1.757 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.177 -1.304 3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.452 -1.126 0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.819 -1.021 1.837 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.225 0.902 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.607 1.365 0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.606 3.358 3.690 1.00 0.00 H new ATOM 658 N ASN A 397 -17.887 -3.657 3.890 1.00 0.00 N ATOM 659 CA ASN A 397 -18.419 -5.008 4.018 1.00 0.00 C ATOM 660 C ASN A 397 -19.924 -5.025 3.777 1.00 0.00 C ATOM 661 O ASN A 397 -20.561 -3.971 3.743 1.00 0.00 O ATOM 662 CB ASN A 397 -18.102 -5.570 5.407 1.00 0.00 C ATOM 663 CG ASN A 397 -18.546 -7.011 5.569 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.089 -7.899 4.849 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.443 -7.251 6.519 1.00 0.00 N ATOM 0 H ASN A 397 -17.803 -3.159 4.776 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.945 -5.635 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.029 -5.502 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.591 -4.956 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.779 -8.201 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.795 -6.485 7.093 1.00 0.00 H new ATOM 672 N ASP A 398 -20.479 -6.227 3.603 1.00 0.00 N ATOM 673 CA ASP A 398 -21.912 -6.405 3.359 1.00 0.00 C ATOM 674 C ASP A 398 -22.276 -6.051 1.920 1.00 0.00 C ATOM 675 O ASP A 398 -23.282 -6.529 1.395 1.00 0.00 O ATOM 676 CB ASP A 398 -22.748 -5.571 4.336 1.00 0.00 C ATOM 677 CG ASP A 398 -24.239 -5.740 4.110 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.731 -6.881 4.229 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.913 -4.731 3.814 1.00 0.00 O ATOM 0 H ASP A 398 -19.951 -7.099 3.627 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.140 -7.458 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.503 -5.860 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.484 -4.519 4.230 1.00 0.00 H new ATOM 684 N ALA A 399 -21.452 -5.217 1.288 1.00 0.00 N ATOM 685 CA ALA A 399 -21.690 -4.810 -0.092 1.00 0.00 C ATOM 686 C ALA A 399 -21.959 -6.027 -0.971 1.00 0.00 C ATOM 687 O ALA A 399 -21.264 -7.039 -0.873 1.00 0.00 O ATOM 688 CB ALA A 399 -20.502 -4.017 -0.619 1.00 0.00 C ATOM 0 H ALA A 399 -20.616 -4.812 1.710 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.572 -4.170 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.692 -3.719 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.357 -3.128 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.605 -4.635 -0.579 1.00 0.00 H new ATOM 694 N GLU A 400 -22.981 -5.927 -1.816 1.00 0.00 N ATOM 695 CA GLU A 400 -23.357 -7.025 -2.702 1.00 0.00 C ATOM 696 C GLU A 400 -22.164 -7.525 -3.512 1.00 0.00 C ATOM 697 O GLU A 400 -21.980 -8.732 -3.679 1.00 0.00 O ATOM 698 CB GLU A 400 -24.479 -6.583 -3.645 1.00 0.00 C ATOM 699 CG GLU A 400 -25.747 -6.156 -2.923 1.00 0.00 C ATOM 700 CD GLU A 400 -26.845 -5.725 -3.876 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.266 -6.553 -4.711 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.285 -4.560 -3.788 1.00 0.00 O ATOM 0 H GLU A 400 -23.565 -5.095 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 400 -23.710 -7.847 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.123 -5.754 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.716 -7.402 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.107 -6.982 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.516 -5.334 -2.246 1.00 0.00 H new ATOM 709 N ASN A 401 -21.354 -6.596 -4.008 1.00 0.00 N ATOM 710 CA ASN A 401 -20.178 -6.945 -4.799 1.00 0.00 C ATOM 711 C ASN A 401 -18.917 -6.416 -4.133 1.00 0.00 C ATOM 712 O ASN A 401 -17.884 -6.253 -4.783 1.00 0.00 O ATOM 713 CB ASN A 401 -20.288 -6.362 -6.213 1.00 0.00 C ATOM 714 CG ASN A 401 -21.462 -6.907 -7.015 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.191 -7.865 -6.455 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.706 -6.469 -8.139 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.490 -5.594 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.124 -8.032 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.381 -5.278 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.364 -6.568 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.123 -5.732 -8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.491 -6.843 -8.673 1.00 0.00 H new ATOM 723 N LYS A 402 -19.017 -6.140 -2.834 1.00 0.00 N ATOM 724 CA LYS A 402 -17.891 -5.612 -2.066 1.00 0.00 C ATOM 725 C LYS A 402 -17.518 -4.220 -2.561 1.00 0.00 C ATOM 726 O LYS A 402 -17.518 -3.963 -3.766 1.00 0.00 O ATOM 727 CB LYS A 402 -16.683 -6.547 -2.163 1.00 0.00 C ATOM 728 CG LYS A 402 -16.934 -7.935 -1.593 1.00 0.00 C ATOM 729 CD LYS A 402 -17.288 -7.878 -0.116 1.00 0.00 C ATOM 730 CE LYS A 402 -17.486 -9.267 0.464 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.244 -10.083 0.383 1.00 0.00 N ATOM 0 H LYS A 402 -19.869 -6.274 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.193 -5.545 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.391 -6.641 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.842 -6.095 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.744 -8.414 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.046 -8.552 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.496 -7.365 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.198 -7.293 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.799 -9.185 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.289 -9.773 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.333 -10.913 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.098 -10.397 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.431 -9.510 0.687 1.00 0.00 H new ATOM 745 N LYS A 403 -17.218 -3.311 -1.638 1.00 0.00 N ATOM 746 CA LYS A 403 -16.869 -1.949 -2.024 1.00 0.00 C ATOM 747 C LYS A 403 -15.632 -1.433 -1.296 1.00 0.00 C ATOM 748 O LYS A 403 -15.434 -1.698 -0.113 1.00 0.00 O ATOM 749 CB LYS A 403 -18.048 -1.012 -1.769 1.00 0.00 C ATOM 750 CG LYS A 403 -19.292 -1.377 -2.560 1.00 0.00 C ATOM 751 CD LYS A 403 -20.407 -0.363 -2.353 1.00 0.00 C ATOM 752 CE LYS A 403 -19.999 1.023 -2.830 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.650 1.033 -4.278 1.00 0.00 N ATOM 0 H LYS A 403 -17.209 -3.489 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.635 -1.970 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.287 -1.022 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.753 0.007 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.045 -1.435 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.638 -2.366 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.298 -0.686 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.671 -0.322 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.814 1.724 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.145 1.370 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.576 2.016 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.740 0.550 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.390 0.540 -4.817 1.00 0.00 H new ATOM 767 N CYS A 404 -14.819 -0.670 -2.022 1.00 0.00 N ATOM 768 CA CYS A 404 -13.605 -0.074 -1.474 1.00 0.00 C ATOM 769 C CYS A 404 -13.386 1.301 -2.106 1.00 0.00 C ATOM 770 O CYS A 404 -12.762 1.417 -3.161 1.00 0.00 O ATOM 771 CB CYS A 404 -12.384 -0.970 -1.733 1.00 0.00 C ATOM 772 SG CYS A 404 -10.875 -0.436 -0.852 1.00 0.00 S ATOM 0 H CYS A 404 -14.983 -0.448 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.724 0.030 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.625 -1.991 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.180 -0.990 -2.804 1.00 0.00 H new ATOM 777 N THR A 405 -13.928 2.336 -1.466 1.00 0.00 N ATOM 778 CA THR A 405 -13.818 3.702 -1.972 1.00 0.00 C ATOM 779 C THR A 405 -12.622 4.435 -1.377 1.00 0.00 C ATOM 780 O THR A 405 -12.354 4.346 -0.178 1.00 0.00 O ATOM 781 CB THR A 405 -15.095 4.513 -1.682 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.356 4.532 -0.273 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.287 3.924 -2.420 1.00 0.00 C ATOM 0 H THR A 405 -14.449 2.253 -0.593 1.00 0.00 H new ATOM 0 HA THR A 405 -13.679 3.618 -3.050 1.00 0.00 H new ATOM 0 HB THR A 405 -14.940 5.533 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.925 3.770 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.178 4.513 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.096 3.942 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.443 2.895 -2.096 1.00 0.00 H new ATOM 791 N LEU A 406 -11.905 5.158 -2.232 1.00 0.00 N ATOM 792 CA LEU A 406 -10.735 5.913 -1.817 1.00 0.00 C ATOM 793 C LEU A 406 -11.156 7.143 -1.030 1.00 0.00 C ATOM 794 O LEU A 406 -12.188 7.751 -1.316 1.00 0.00 O ATOM 795 CB LEU A 406 -9.912 6.305 -3.045 1.00 0.00 C ATOM 796 CG LEU A 406 -8.513 6.864 -2.773 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.574 8.311 -2.321 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.783 6.009 -1.749 1.00 0.00 C ATOM 0 H LEU A 406 -12.120 5.235 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.117 5.292 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.812 5.428 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.474 7.049 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.954 6.833 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.564 8.677 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.043 8.915 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.159 8.381 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.791 6.423 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.346 5.999 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.688 4.991 -2.126 1.00 0.00 H new ATOM 810 N ASP A 407 -10.358 7.507 -0.037 1.00 0.00 N ATOM 811 CA ASP A 407 -10.661 8.667 0.788 1.00 0.00 C ATOM 812 C ASP A 407 -9.406 9.487 1.046 1.00 0.00 C ATOM 813 O ASP A 407 -8.362 8.946 1.410 1.00 0.00 O ATOM 814 CB ASP A 407 -11.286 8.227 2.112 1.00 0.00 C ATOM 815 CG ASP A 407 -11.585 9.398 3.026 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.360 10.288 2.617 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.045 9.426 4.152 1.00 0.00 O ATOM 0 H ASP A 407 -9.499 7.018 0.216 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.375 9.292 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.208 7.681 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.611 7.537 2.618 1.00 0.00 H new ATOM 822 N LYS A 408 -9.515 10.795 0.851 1.00 0.00 N ATOM 823 CA LYS A 408 -8.389 11.693 1.058 1.00 0.00 C ATOM 824 C LYS A 408 -7.944 11.672 2.514 1.00 0.00 C ATOM 825 O LYS A 408 -6.773 11.439 2.806 1.00 0.00 O ATOM 826 CB LYS A 408 -8.765 13.117 0.650 1.00 0.00 C ATOM 827 CG LYS A 408 -9.221 13.233 -0.795 1.00 0.00 C ATOM 828 CD LYS A 408 -9.635 14.655 -1.133 1.00 0.00 C ATOM 829 CE LYS A 408 -10.128 14.762 -2.567 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.298 13.876 -2.819 1.00 0.00 N ATOM 0 H LYS A 408 -10.373 11.257 0.550 1.00 0.00 H new ATOM 0 HA LYS A 408 -7.562 11.351 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.560 13.476 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -7.906 13.770 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -8.415 12.920 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.058 12.557 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.421 14.979 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.789 15.327 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.402 15.795 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.320 14.499 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.760 14.155 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.977 12.889 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.975 13.964 -2.035 1.00 0.00 H new ATOM 844 N GLU A 409 -8.889 11.911 3.421 1.00 0.00 N ATOM 845 CA GLU A 409 -8.600 11.919 4.853 1.00 0.00 C ATOM 846 C GLU A 409 -7.843 10.659 5.260 1.00 0.00 C ATOM 847 O GLU A 409 -6.898 10.713 6.052 1.00 0.00 O ATOM 848 CB GLU A 409 -9.901 12.024 5.653 1.00 0.00 C ATOM 849 CG GLU A 409 -10.712 13.276 5.347 1.00 0.00 C ATOM 850 CD GLU A 409 -10.004 14.554 5.757 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.918 14.838 5.208 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.538 15.271 6.629 1.00 0.00 O ATOM 0 H GLU A 409 -9.864 12.102 3.189 1.00 0.00 H new ATOM 0 HA GLU A 409 -7.974 12.785 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.514 11.146 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.665 12.007 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.926 13.312 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.671 13.217 5.862 1.00 0.00 H new ATOM 859 N GLU A 410 -8.254 9.529 4.697 1.00 0.00 N ATOM 860 CA GLU A 410 -7.607 8.259 4.986 1.00 0.00 C ATOM 861 C GLU A 410 -6.191 8.285 4.441 1.00 0.00 C ATOM 862 O GLU A 410 -5.237 7.934 5.135 1.00 0.00 O ATOM 863 CB GLU A 410 -8.394 7.099 4.373 1.00 0.00 C ATOM 864 CG GLU A 410 -7.832 5.729 4.721 1.00 0.00 C ATOM 865 CD GLU A 410 -7.892 5.426 6.208 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.248 6.157 6.991 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.582 4.458 6.588 1.00 0.00 O ATOM 0 H GLU A 410 -9.031 9.468 4.039 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.578 8.110 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.429 7.154 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.407 7.212 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.388 4.965 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.797 5.670 4.385 1.00 0.00 H new ATOM 874 N ALA A 411 -6.065 8.729 3.195 1.00 0.00 N ATOM 875 CA ALA A 411 -4.766 8.836 2.552 1.00 0.00 C ATOM 876 C ALA A 411 -3.824 9.685 3.397 1.00 0.00 C ATOM 877 O ALA A 411 -2.615 9.458 3.412 1.00 0.00 O ATOM 878 CB ALA A 411 -4.915 9.431 1.161 1.00 0.00 C ATOM 0 H ALA A 411 -6.850 9.020 2.612 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.339 7.837 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -3.935 9.506 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.559 8.791 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.358 10.424 1.236 1.00 0.00 H new ATOM 884 N LYS A 412 -4.388 10.666 4.101 1.00 0.00 N ATOM 885 CA LYS A 412 -3.594 11.546 4.950 1.00 0.00 C ATOM 886 C LYS A 412 -2.948 10.751 6.077 1.00 0.00 C ATOM 887 O LYS A 412 -1.749 10.864 6.324 1.00 0.00 O ATOM 888 CB LYS A 412 -4.458 12.660 5.555 1.00 0.00 C ATOM 889 CG LYS A 412 -5.450 13.299 4.590 1.00 0.00 C ATOM 890 CD LYS A 412 -4.816 13.630 3.251 1.00 0.00 C ATOM 891 CE LYS A 412 -5.727 14.504 2.403 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.104 14.856 1.097 1.00 0.00 N ATOM 0 H LYS A 412 -5.388 10.869 4.099 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.822 11.997 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.009 12.253 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -3.801 13.437 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.290 12.622 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.852 14.209 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -3.867 14.142 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.593 12.707 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.668 13.983 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.965 15.417 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.758 15.452 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.219 15.376 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.900 13.987 0.564 1.00 0.00 H new ATOM 906 N LYS A 413 -3.763 9.952 6.760 1.00 0.00 N ATOM 907 CA LYS A 413 -3.285 9.135 7.872 1.00 0.00 C ATOM 908 C LYS A 413 -2.219 8.141 7.417 1.00 0.00 C ATOM 909 O LYS A 413 -1.186 7.987 8.067 1.00 0.00 O ATOM 910 CB LYS A 413 -4.455 8.387 8.513 1.00 0.00 C ATOM 911 CG LYS A 413 -5.545 9.305 9.039 1.00 0.00 C ATOM 912 CD LYS A 413 -6.689 8.518 9.659 1.00 0.00 C ATOM 913 CE LYS A 413 -7.788 9.440 10.159 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.284 10.404 11.177 1.00 0.00 N ATOM 0 H LYS A 413 -4.759 9.853 6.563 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.833 9.801 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.887 7.706 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.079 7.775 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.124 9.982 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.926 9.922 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.099 7.827 8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.313 7.916 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -8.212 9.989 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -8.593 8.845 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -8.089 10.861 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -6.710 9.897 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.700 11.128 10.711 1.00 0.00 H new ATOM 928 N VAL A 414 -2.480 7.464 6.303 1.00 0.00 N ATOM 929 CA VAL A 414 -1.544 6.480 5.767 1.00 0.00 C ATOM 930 C VAL A 414 -0.205 7.123 5.424 1.00 0.00 C ATOM 931 O VAL A 414 0.853 6.607 5.786 1.00 0.00 O ATOM 932 CB VAL A 414 -2.108 5.793 4.508 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.143 4.732 3.999 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.474 5.189 4.794 1.00 0.00 C ATOM 0 H VAL A 414 -3.332 7.578 5.754 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.396 5.731 6.545 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.226 6.546 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.559 4.258 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.189 5.197 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.989 3.980 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.855 4.709 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.385 4.449 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.162 5.975 5.105 1.00 0.00 H new ATOM 944 N ALA A 415 -0.257 8.251 4.726 1.00 0.00 N ATOM 945 CA ALA A 415 0.952 8.968 4.336 1.00 0.00 C ATOM 946 C ALA A 415 1.707 9.470 5.558 1.00 0.00 C ATOM 947 O ALA A 415 2.936 9.403 5.615 1.00 0.00 O ATOM 948 CB ALA A 415 0.607 10.133 3.423 1.00 0.00 C ATOM 0 H ALA A 415 -1.125 8.690 4.418 1.00 0.00 H new ATOM 0 HA ALA A 415 1.595 8.273 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.520 10.657 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.112 9.759 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.059 10.820 3.945 1.00 0.00 H new ATOM 954 N ASP A 416 0.960 9.976 6.535 1.00 0.00 N ATOM 955 CA ASP A 416 1.550 10.495 7.758 1.00 0.00 C ATOM 956 C ASP A 416 1.864 9.367 8.733 1.00 0.00 C ATOM 957 O ASP A 416 1.713 9.519 9.946 1.00 0.00 O ATOM 958 CB ASP A 416 0.608 11.504 8.416 1.00 0.00 C ATOM 959 CG ASP A 416 0.325 12.701 7.531 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.866 12.752 6.406 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.437 13.591 7.964 1.00 0.00 O ATOM 0 H ASP A 416 -0.058 10.036 6.500 1.00 0.00 H new ATOM 0 HA ASP A 416 2.483 10.995 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.332 11.010 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 416 1.046 11.846 9.354 1.00 0.00 H new ATOM 966 N GLU A 417 2.305 8.235 8.197 1.00 0.00 N ATOM 967 CA GLU A 417 2.646 7.087 9.010 1.00 0.00 C ATOM 968 C GLU A 417 3.952 7.334 9.764 1.00 0.00 C ATOM 969 O GLU A 417 4.526 6.418 10.353 1.00 0.00 O ATOM 970 CB GLU A 417 2.763 5.853 8.114 1.00 0.00 C ATOM 971 CG GLU A 417 2.919 4.562 8.886 1.00 0.00 C ATOM 972 CD GLU A 417 3.037 3.346 7.985 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.001 3.516 6.749 1.00 0.00 O ATOM 974 OE2 GLU A 417 3.166 2.224 8.519 1.00 0.00 O ATOM 0 H GLU A 417 2.433 8.093 7.195 1.00 0.00 H new ATOM 0 HA GLU A 417 1.861 6.920 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.876 5.786 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.618 5.976 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.805 4.627 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.063 4.435 9.549 1.00 0.00 H new ATOM 981 N THR A 418 4.411 8.586 9.740 1.00 0.00 N ATOM 982 CA THR A 418 5.643 8.976 10.415 1.00 0.00 C ATOM 983 C THR A 418 6.794 8.058 10.022 1.00 0.00 C ATOM 984 O THR A 418 7.537 7.571 10.875 1.00 0.00 O ATOM 985 CB THR A 418 5.472 8.969 11.947 1.00 0.00 C ATOM 986 OG1 THR A 418 5.285 7.631 12.423 1.00 0.00 O ATOM 987 CG2 THR A 418 4.281 9.825 12.353 1.00 0.00 C ATOM 0 H THR A 418 3.941 9.351 9.255 1.00 0.00 H new ATOM 0 HA THR A 418 5.876 9.992 10.098 1.00 0.00 H new ATOM 0 HB THR A 418 6.377 9.383 12.392 1.00 0.00 H new ATOM 0 HG1 THR A 418 5.299 7.009 11.665 1.00 0.00 H new ATOM 0 HG21 THR A 418 4.174 9.809 13.438 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.439 10.850 12.019 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.375 9.429 11.894 1.00 0.00 H new ATOM 995 N ALA A 419 6.931 7.827 8.718 1.00 0.00 N ATOM 996 CA ALA A 419 7.983 6.965 8.197 1.00 0.00 C ATOM 997 C ALA A 419 8.088 7.083 6.679 1.00 0.00 C ATOM 998 O ALA A 419 9.187 7.169 6.128 1.00 0.00 O ATOM 999 CB ALA A 419 7.718 5.521 8.594 1.00 0.00 C ATOM 0 H ALA A 419 6.323 8.227 8.003 1.00 0.00 H new ATOM 0 HA ALA A 419 8.931 7.286 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.510 4.884 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 419 7.695 5.441 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.759 5.202 8.186 1.00 0.00 H new ATOM 1005 N LYS A 420 6.938 7.079 6.010 1.00 0.00 N ATOM 1006 CA LYS A 420 6.887 7.179 4.559 1.00 0.00 C ATOM 1007 C LYS A 420 7.070 8.629 4.098 1.00 0.00 C ATOM 1008 O LYS A 420 6.354 9.108 3.217 1.00 0.00 O ATOM 1009 CB LYS A 420 5.551 6.625 4.060 1.00 0.00 C ATOM 1010 CG LYS A 420 5.495 6.444 2.556 1.00 0.00 C ATOM 1011 CD LYS A 420 4.136 5.939 2.093 1.00 0.00 C ATOM 1012 CE LYS A 420 3.811 4.571 2.677 1.00 0.00 C ATOM 1013 NZ LYS A 420 4.811 3.544 2.278 1.00 0.00 N ATOM 0 H LYS A 420 6.024 7.007 6.456 1.00 0.00 H new ATOM 0 HA LYS A 420 7.704 6.593 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.363 5.665 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 420 4.750 7.298 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 420 5.714 7.394 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.268 5.741 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 420 3.365 6.651 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 420 4.121 5.882 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 420 3.776 4.640 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 420 2.820 4.261 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 4.453 2.598 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.976 3.600 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.704 3.715 2.782 1.00 0.00 H new ATOM 1027 N ASP A 421 8.032 9.323 4.697 1.00 0.00 N ATOM 1028 CA ASP A 421 8.305 10.714 4.345 1.00 0.00 C ATOM 1029 C ASP A 421 8.885 10.818 2.937 1.00 0.00 C ATOM 1030 O ASP A 421 9.733 10.016 2.544 1.00 0.00 O ATOM 1031 CB ASP A 421 9.270 11.340 5.354 1.00 0.00 C ATOM 1032 CG ASP A 421 10.607 10.625 5.398 1.00 0.00 C ATOM 1033 OD1 ASP A 421 10.625 9.419 5.718 1.00 0.00 O ATOM 1034 OD2 ASP A 421 11.637 11.273 5.114 1.00 0.00 O ATOM 0 H ASP A 421 8.636 8.947 5.428 1.00 0.00 H new ATOM 0 HA ASP A 421 7.361 11.258 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.430 12.387 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 421 8.818 11.320 6.346 1.00 0.00 H new ATOM 1039 N GLY A 422 8.425 11.813 2.183 1.00 0.00 N ATOM 1040 CA GLY A 422 8.913 12.003 0.830 1.00 0.00 C ATOM 1041 C GLY A 422 8.264 13.187 0.138 1.00 0.00 C ATOM 1042 O GLY A 422 7.934 13.117 -1.046 1.00 0.00 O ATOM 0 H GLY A 422 7.724 12.490 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 422 9.993 12.148 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 422 8.725 11.100 0.250 1.00 0.00 H new ATOM 1046 N LYS A 423 8.084 14.277 0.878 1.00 0.00 N ATOM 1047 CA LYS A 423 7.474 15.484 0.329 1.00 0.00 C ATOM 1048 C LYS A 423 8.418 16.178 -0.649 1.00 0.00 C ATOM 1049 O LYS A 423 9.618 16.288 -0.393 1.00 0.00 O ATOM 1050 CB LYS A 423 7.090 16.444 1.457 1.00 0.00 C ATOM 1051 CG LYS A 423 6.057 15.876 2.419 1.00 0.00 C ATOM 1052 CD LYS A 423 4.750 15.556 1.709 1.00 0.00 C ATOM 1053 CE LYS A 423 3.725 14.966 2.664 1.00 0.00 C ATOM 1054 NZ LYS A 423 4.202 13.694 3.274 1.00 0.00 N ATOM 0 H LYS A 423 8.352 14.349 1.860 1.00 0.00 H new ATOM 0 HA LYS A 423 6.574 15.192 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 423 7.987 16.710 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 423 6.701 17.364 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 423 6.450 14.972 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 423 5.871 16.592 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 423 4.348 16.464 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 423 4.939 14.854 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 423 3.506 15.687 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 423 2.793 14.785 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 3.400 13.196 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.624 13.093 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 4.916 13.904 4.001 1.00 0.00 H new ATOM 1068 N THR A 424 7.870 16.643 -1.767 1.00 0.00 N ATOM 1069 CA THR A 424 8.664 17.326 -2.784 1.00 0.00 C ATOM 1070 C THR A 424 9.301 18.597 -2.226 1.00 0.00 C ATOM 1071 O THR A 424 8.637 19.398 -1.568 1.00 0.00 O ATOM 1072 CB THR A 424 7.812 17.691 -4.013 1.00 0.00 C ATOM 1073 OG1 THR A 424 6.728 18.543 -3.624 1.00 0.00 O ATOM 1074 CG2 THR A 424 7.262 16.440 -4.683 1.00 0.00 C ATOM 0 H THR A 424 6.879 16.560 -1.992 1.00 0.00 H new ATOM 0 HA THR A 424 9.448 16.633 -3.088 1.00 0.00 H new ATOM 0 HB THR A 424 8.450 18.216 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 424 7.011 19.113 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 424 6.664 16.724 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 424 8.088 15.807 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 424 6.640 15.892 -3.976 1.00 0.00 H new ATOM 1082 N GLY A 425 10.592 18.772 -2.496 1.00 0.00 N ATOM 1083 CA GLY A 425 11.301 19.945 -2.016 1.00 0.00 C ATOM 1084 C GLY A 425 12.786 19.879 -2.314 1.00 0.00 C ATOM 1085 O GLY A 425 13.614 20.160 -1.448 1.00 0.00 O ATOM 0 H GLY A 425 11.160 18.122 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 425 10.879 20.837 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 425 11.152 20.043 -0.941 1.00 0.00 H new ATOM 1089 N ASN A 426 13.122 19.497 -3.542 1.00 0.00 N ATOM 1090 CA ASN A 426 14.516 19.383 -3.956 1.00 0.00 C ATOM 1091 C ASN A 426 15.232 20.727 -3.853 1.00 0.00 C ATOM 1092 O ASN A 426 14.724 21.749 -4.314 1.00 0.00 O ATOM 1093 CB ASN A 426 14.601 18.857 -5.391 1.00 0.00 C ATOM 1094 CG ASN A 426 13.934 17.505 -5.552 1.00 0.00 C ATOM 1095 OD1 ASN A 426 12.739 17.355 -5.298 1.00 0.00 O ATOM 1096 ND2 ASN A 426 14.706 16.510 -5.975 1.00 0.00 N ATOM 0 H ASN A 426 12.447 19.261 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 426 15.009 18.679 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 426 14.132 19.573 -6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 426 15.648 18.780 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 426 14.313 15.577 -6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 426 15.692 16.679 -6.174 1.00 0.00 H new ATOM 1103 N THR A 427 16.419 20.711 -3.251 1.00 0.00 N ATOM 1104 CA THR A 427 17.219 21.920 -3.088 1.00 0.00 C ATOM 1105 C THR A 427 18.665 21.569 -2.749 1.00 0.00 C ATOM 1106 O THR A 427 19.597 22.056 -3.391 1.00 0.00 O ATOM 1107 CB THR A 427 16.655 22.832 -1.979 1.00 0.00 C ATOM 1108 OG1 THR A 427 15.311 23.217 -2.292 1.00 0.00 O ATOM 1109 CG2 THR A 427 17.514 24.078 -1.814 1.00 0.00 C ATOM 0 H THR A 427 16.849 19.869 -2.867 1.00 0.00 H new ATOM 0 HA THR A 427 17.181 22.455 -4.037 1.00 0.00 H new ATOM 0 HB THR A 427 16.664 22.272 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 427 15.126 23.022 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 427 17.097 24.706 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 427 18.530 23.787 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 427 17.531 24.635 -2.751 1.00 0.00 H new ATOM 1117 N ASN A 428 18.840 20.712 -1.744 1.00 0.00 N ATOM 1118 CA ASN A 428 20.166 20.280 -1.316 1.00 0.00 C ATOM 1119 C ASN A 428 20.068 19.302 -0.149 1.00 0.00 C ATOM 1120 O ASN A 428 20.667 18.226 -0.175 1.00 0.00 O ATOM 1121 CB ASN A 428 21.023 21.484 -0.911 1.00 0.00 C ATOM 1122 CG ASN A 428 22.415 21.078 -0.470 1.00 0.00 C ATOM 1123 OD1 ASN A 428 23.173 20.484 -1.236 1.00 0.00 O ATOM 1124 ND2 ASN A 428 22.762 21.398 0.773 1.00 0.00 N ATOM 0 H ASN A 428 18.074 20.302 -1.209 1.00 0.00 H new ATOM 0 HA ASN A 428 20.640 19.775 -2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 428 21.098 22.173 -1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 428 20.530 22.022 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 428 23.687 21.151 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 428 22.103 21.891 1.376 1.00 0.00 H new ATOM 1131 N THR A 429 19.311 19.686 0.875 1.00 0.00 N ATOM 1132 CA THR A 429 19.132 18.847 2.054 1.00 0.00 C ATOM 1133 C THR A 429 18.368 17.571 1.715 1.00 0.00 C ATOM 1134 O THR A 429 17.370 17.613 0.996 1.00 0.00 O ATOM 1135 CB THR A 429 18.383 19.597 3.169 1.00 0.00 C ATOM 1136 OG1 THR A 429 17.097 20.019 2.699 1.00 0.00 O ATOM 1137 CG2 THR A 429 19.178 20.805 3.638 1.00 0.00 C ATOM 0 H THR A 429 18.811 20.574 0.911 1.00 0.00 H new ATOM 0 HA THR A 429 20.130 18.586 2.407 1.00 0.00 H new ATOM 0 HB THR A 429 18.256 18.916 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 429 16.627 20.494 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 429 18.628 21.319 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 429 20.144 20.478 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 429 19.333 21.486 2.801 1.00 0.00 H new ATOM 1145 N THR A 430 18.849 16.443 2.244 1.00 0.00 N ATOM 1146 CA THR A 430 18.229 15.137 2.012 1.00 0.00 C ATOM 1147 C THR A 430 18.498 14.627 0.597 1.00 0.00 C ATOM 1148 O THR A 430 18.736 13.436 0.397 1.00 0.00 O ATOM 1149 CB THR A 430 16.706 15.171 2.259 1.00 0.00 C ATOM 1150 OG1 THR A 430 16.436 15.611 3.595 1.00 0.00 O ATOM 1151 CG2 THR A 430 16.091 13.795 2.044 1.00 0.00 C ATOM 0 H THR A 430 19.675 16.409 2.842 1.00 0.00 H new ATOM 0 HA THR A 430 18.685 14.453 2.728 1.00 0.00 H new ATOM 0 HB THR A 430 16.262 15.868 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 430 15.467 15.631 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 430 15.017 13.844 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 430 16.273 13.471 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 430 16.542 13.083 2.735 1.00 0.00 H new ATOM 1159 N GLY A 431 18.457 15.529 -0.381 1.00 0.00 N ATOM 1160 CA GLY A 431 18.697 15.143 -1.761 1.00 0.00 C ATOM 1161 C GLY A 431 20.045 14.475 -1.951 1.00 0.00 C ATOM 1162 O GLY A 431 20.148 13.459 -2.637 1.00 0.00 O ATOM 0 H GLY A 431 18.262 16.520 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 431 17.909 14.464 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 431 18.640 16.026 -2.397 1.00 0.00 H new ATOM 1166 N SER A 432 21.078 15.050 -1.343 1.00 0.00 N ATOM 1167 CA SER A 432 22.430 14.508 -1.442 1.00 0.00 C ATOM 1168 C SER A 432 22.592 13.276 -0.554 1.00 0.00 C ATOM 1169 O SER A 432 23.368 13.286 0.403 1.00 0.00 O ATOM 1170 CB SER A 432 23.457 15.572 -1.052 1.00 0.00 C ATOM 1171 OG SER A 432 23.387 16.692 -1.918 1.00 0.00 O ATOM 0 H SER A 432 21.005 15.894 -0.775 1.00 0.00 H new ATOM 0 HA SER A 432 22.600 14.210 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 432 23.282 15.891 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 432 24.459 15.144 -1.086 1.00 0.00 H new ATOM 0 HG SER A 432 24.052 17.358 -1.646 1.00 0.00 H new ATOM 1177 N SER A 433 21.856 12.217 -0.875 1.00 0.00 N ATOM 1178 CA SER A 433 21.919 10.979 -0.107 1.00 0.00 C ATOM 1179 C SER A 433 23.309 10.358 -0.190 1.00 0.00 C ATOM 1180 O SER A 433 23.793 9.853 0.844 1.00 0.00 O ATOM 1181 CB SER A 433 20.873 9.985 -0.615 1.00 0.00 C ATOM 1182 OG SER A 433 19.564 10.520 -0.507 1.00 0.00 O ATOM 1183 OXT SER A 433 23.901 10.379 -1.289 1.00 0.00 O ATOM 0 H SER A 433 21.208 12.191 -1.663 1.00 0.00 H new ATOM 0 HA SER A 433 21.708 11.217 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 433 21.081 9.733 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 433 20.939 9.059 -0.043 1.00 0.00 H new ATOM 0 HG SER A 433 19.607 11.409 -0.097 1.00 0.00 H new TER 1189 SER A 433