USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 NoAdj-H: A 452 HIS HE2 : A 452 HIS NE2 : A 489 ZNZN :(H bumps) USER MOD NoAdj-H: A 455 HIS HD1 : A 455 HIS ND1 : A 488 ZNZN :(H bumps) USER MOD NoAdj-H: A 481 HIS HD1 : A 481 HIS ND1 : A 489 ZNZN :(H bumps) USER MOD Set 1.1: A 420 CYS SG : rot 180:sc= -3.28 USER MOD Set 1.2: A 459 MET CE :methyl -130:sc= -4.3 (180deg=-4.88!) USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0932 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc=-0.00544 K(o=-0.0054,f=-0.96) USER MOD Single : A 429 THR OG1 : rot -34:sc= 0.854 USER MOD Single : A 434 TYR OH : rot 180:sc=-0.000409 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.4) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -147:sc= -5.49! (180deg=-10.8!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -5.79! C(o=-5.8!,f=-4.6!) USER MOD Single : A 457 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.32) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0839 USER MOD Single : A 468 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.96) USER MOD Single : A 470 SER OG : rot -21:sc= 0.678 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 180:sc= -1.67 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.55) USER MOD Single : A 483 GLN : amide:sc= -0.0965 K(o=-0.096,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 57.410 -15.467 -15.439 1.00 0.00 N ATOM 2 CA GLY A 406 58.595 -15.813 -14.603 1.00 0.00 C ATOM 3 C GLY A 406 59.876 -15.625 -15.421 1.00 0.00 C ATOM 4 O GLY A 406 60.554 -14.626 -15.285 1.00 0.00 O ATOM 0 HA2 GLY A 406 58.623 -15.181 -13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 406 58.520 -16.844 -14.258 1.00 0.00 H new ATOM 10 N PRO A 407 60.168 -16.596 -16.248 1.00 0.00 N ATOM 11 CA PRO A 407 61.384 -16.530 -17.095 1.00 0.00 C ATOM 12 C PRO A 407 61.193 -15.518 -18.227 1.00 0.00 C ATOM 13 O PRO A 407 62.131 -14.883 -18.670 1.00 0.00 O ATOM 14 CB PRO A 407 61.513 -17.947 -17.650 1.00 0.00 C ATOM 15 CG PRO A 407 60.126 -18.507 -17.611 1.00 0.00 C ATOM 16 CD PRO A 407 59.406 -17.832 -16.472 1.00 0.00 C ATOM 0 HA PRO A 407 62.270 -16.210 -16.547 1.00 0.00 H new ATOM 0 HB2 PRO A 407 61.906 -17.938 -18.666 1.00 0.00 H new ATOM 0 HB3 PRO A 407 62.197 -18.546 -17.049 1.00 0.00 H new ATOM 0 HG2 PRO A 407 59.611 -18.325 -18.554 1.00 0.00 H new ATOM 0 HG3 PRO A 407 60.151 -19.587 -17.465 1.00 0.00 H new ATOM 0 HD2 PRO A 407 58.368 -17.619 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 407 59.393 -18.459 -15.581 1.00 0.00 H new ATOM 24 N LEU A 408 59.984 -15.364 -18.699 1.00 0.00 N ATOM 25 CA LEU A 408 59.729 -14.392 -19.803 1.00 0.00 C ATOM 26 C LEU A 408 59.171 -13.083 -19.236 1.00 0.00 C ATOM 27 O LEU A 408 58.445 -12.370 -19.901 1.00 0.00 O ATOM 28 CB LEU A 408 58.692 -15.074 -20.701 1.00 0.00 C ATOM 29 CG LEU A 408 59.323 -15.427 -22.053 1.00 0.00 C ATOM 30 CD1 LEU A 408 59.842 -14.155 -22.728 1.00 0.00 C ATOM 31 CD2 LEU A 408 60.485 -16.400 -21.837 1.00 0.00 C ATOM 0 H LEU A 408 59.162 -15.869 -18.368 1.00 0.00 H new ATOM 0 HA LEU A 408 60.638 -14.140 -20.350 1.00 0.00 H new ATOM 0 HB2 LEU A 408 58.318 -15.977 -20.218 1.00 0.00 H new ATOM 0 HB3 LEU A 408 57.837 -14.414 -20.850 1.00 0.00 H new ATOM 0 HG LEU A 408 58.571 -15.893 -22.690 1.00 0.00 H new ATOM 0 HD11 LEU A 408 60.290 -14.410 -23.689 1.00 0.00 H new ATOM 0 HD12 LEU A 408 59.015 -13.463 -22.885 1.00 0.00 H new ATOM 0 HD13 LEU A 408 60.592 -13.685 -22.091 1.00 0.00 H new ATOM 0 HD21 LEU A 408 60.933 -16.651 -22.798 1.00 0.00 H new ATOM 0 HD22 LEU A 408 61.235 -15.935 -21.197 1.00 0.00 H new ATOM 0 HD23 LEU A 408 60.115 -17.308 -21.361 1.00 0.00 H new ATOM 43 N GLY A 409 59.505 -12.763 -18.015 1.00 0.00 N ATOM 44 CA GLY A 409 58.994 -11.501 -17.405 1.00 0.00 C ATOM 45 C GLY A 409 59.685 -11.266 -16.062 1.00 0.00 C ATOM 46 O GLY A 409 60.890 -11.128 -15.989 1.00 0.00 O ATOM 0 H GLY A 409 60.110 -13.321 -17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 409 59.180 -10.660 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 409 57.915 -11.564 -17.264 1.00 0.00 H new ATOM 50 N SER A 410 58.929 -11.218 -14.996 1.00 0.00 N ATOM 51 CA SER A 410 59.541 -10.992 -13.655 1.00 0.00 C ATOM 52 C SER A 410 59.045 -12.051 -12.662 1.00 0.00 C ATOM 53 O SER A 410 57.896 -12.446 -12.706 1.00 0.00 O ATOM 54 CB SER A 410 59.069 -9.601 -13.233 1.00 0.00 C ATOM 55 OG SER A 410 57.663 -9.505 -13.423 1.00 0.00 O ATOM 0 H SER A 410 57.915 -11.326 -14.997 1.00 0.00 H new ATOM 0 HA SER A 410 60.628 -11.063 -13.680 1.00 0.00 H new ATOM 0 HB2 SER A 410 59.320 -9.421 -12.188 1.00 0.00 H new ATOM 0 HB3 SER A 410 59.580 -8.837 -13.819 1.00 0.00 H new ATOM 0 HG SER A 410 57.356 -8.615 -13.152 1.00 0.00 H new ATOM 61 N PRO A 411 59.928 -12.482 -11.794 1.00 0.00 N ATOM 62 CA PRO A 411 59.559 -13.506 -10.787 1.00 0.00 C ATOM 63 C PRO A 411 58.678 -12.890 -9.697 1.00 0.00 C ATOM 64 O PRO A 411 58.172 -11.794 -9.841 1.00 0.00 O ATOM 65 CB PRO A 411 60.903 -13.946 -10.213 1.00 0.00 C ATOM 66 CG PRO A 411 61.821 -12.786 -10.438 1.00 0.00 C ATOM 67 CD PRO A 411 61.331 -12.064 -11.667 1.00 0.00 C ATOM 0 HA PRO A 411 58.989 -14.334 -11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 411 60.820 -14.183 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 411 61.271 -14.842 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 411 61.820 -12.121 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 411 62.847 -13.128 -10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 411 61.416 -10.983 -11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 411 61.910 -12.339 -12.548 1.00 0.00 H new ATOM 75 N GLU A 412 58.492 -13.588 -8.609 1.00 0.00 N ATOM 76 CA GLU A 412 57.645 -13.046 -7.507 1.00 0.00 C ATOM 77 C GLU A 412 57.931 -13.794 -6.203 1.00 0.00 C ATOM 78 O GLU A 412 57.039 -14.068 -5.425 1.00 0.00 O ATOM 79 CB GLU A 412 56.205 -13.287 -7.958 1.00 0.00 C ATOM 80 CG GLU A 412 55.327 -12.113 -7.518 1.00 0.00 C ATOM 81 CD GLU A 412 55.209 -11.104 -8.662 1.00 0.00 C ATOM 82 OE1 GLU A 412 54.928 -11.527 -9.771 1.00 0.00 O ATOM 83 OE2 GLU A 412 55.403 -9.927 -8.410 1.00 0.00 O ATOM 0 H GLU A 412 58.890 -14.511 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 412 57.841 -11.991 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 412 56.166 -13.397 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 412 55.829 -14.216 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 412 54.338 -12.472 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 412 55.758 -11.633 -6.639 1.00 0.00 H new ATOM 90 N PHE A 413 59.171 -14.129 -5.959 1.00 0.00 N ATOM 91 CA PHE A 413 59.516 -14.862 -4.706 1.00 0.00 C ATOM 92 C PHE A 413 60.582 -14.092 -3.920 1.00 0.00 C ATOM 93 O PHE A 413 61.544 -14.661 -3.442 1.00 0.00 O ATOM 94 CB PHE A 413 60.065 -16.212 -5.174 1.00 0.00 C ATOM 95 CG PHE A 413 59.003 -16.944 -5.960 1.00 0.00 C ATOM 96 CD1 PHE A 413 57.743 -17.172 -5.392 1.00 0.00 C ATOM 97 CD2 PHE A 413 59.277 -17.396 -7.256 1.00 0.00 C ATOM 98 CE1 PHE A 413 56.759 -17.851 -6.121 1.00 0.00 C ATOM 99 CE2 PHE A 413 58.293 -18.074 -7.985 1.00 0.00 C ATOM 100 CZ PHE A 413 57.034 -18.301 -7.416 1.00 0.00 C ATOM 0 H PHE A 413 59.959 -13.926 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 413 58.657 -14.979 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 413 60.951 -16.062 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 413 60.373 -16.809 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 413 57.531 -16.824 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 413 60.249 -17.221 -7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 413 55.788 -18.027 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 413 58.505 -18.422 -8.985 1.00 0.00 H new ATOM 0 HZ PHE A 413 56.274 -18.824 -7.978 1.00 0.00 H new ATOM 110 N GLY A 414 60.417 -12.803 -3.782 1.00 0.00 N ATOM 111 CA GLY A 414 61.418 -11.997 -3.027 1.00 0.00 C ATOM 112 C GLY A 414 61.202 -10.511 -3.317 1.00 0.00 C ATOM 113 O GLY A 414 60.282 -10.132 -4.017 1.00 0.00 O ATOM 0 H GLY A 414 59.631 -12.274 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 414 61.322 -12.187 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 414 62.428 -12.291 -3.313 1.00 0.00 H new ATOM 117 N TYR A 415 62.042 -9.664 -2.783 1.00 0.00 N ATOM 118 CA TYR A 415 61.888 -8.200 -3.026 1.00 0.00 C ATOM 119 C TYR A 415 62.797 -7.754 -4.174 1.00 0.00 C ATOM 120 O TYR A 415 63.225 -6.618 -4.234 1.00 0.00 O ATOM 121 CB TYR A 415 62.311 -7.537 -1.715 1.00 0.00 C ATOM 122 CG TYR A 415 61.082 -7.179 -0.915 1.00 0.00 C ATOM 123 CD1 TYR A 415 60.097 -6.365 -1.482 1.00 0.00 C ATOM 124 CD2 TYR A 415 60.927 -7.661 0.390 1.00 0.00 C ATOM 125 CE1 TYR A 415 58.955 -6.032 -0.746 1.00 0.00 C ATOM 126 CE2 TYR A 415 59.785 -7.328 1.128 1.00 0.00 C ATOM 127 CZ TYR A 415 58.798 -6.512 0.560 1.00 0.00 C ATOM 128 OH TYR A 415 57.673 -6.183 1.287 1.00 0.00 O ATOM 0 H TYR A 415 62.829 -9.923 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 415 60.870 -7.932 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.947 -8.212 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.898 -6.642 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 415 60.218 -5.993 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.688 -8.290 0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 415 58.194 -5.404 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 415 59.665 -7.700 2.135 1.00 0.00 H new ATOM 0 HH TYR A 415 57.722 -6.600 2.173 1.00 0.00 H new ATOM 138 N TRP A 416 63.091 -8.641 -5.085 1.00 0.00 N ATOM 139 CA TRP A 416 63.969 -8.277 -6.236 1.00 0.00 C ATOM 140 C TRP A 416 63.137 -7.584 -7.319 1.00 0.00 C ATOM 141 O TRP A 416 63.057 -8.041 -8.443 1.00 0.00 O ATOM 142 CB TRP A 416 64.514 -9.614 -6.749 1.00 0.00 C ATOM 143 CG TRP A 416 65.258 -10.297 -5.646 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.974 -11.524 -5.156 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.397 -9.806 -4.888 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.868 -11.818 -4.142 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.766 -10.789 -3.940 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.138 -8.614 -4.932 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.835 -10.593 -3.065 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.213 -8.414 -4.055 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.563 -9.400 -3.123 1.00 0.00 C ATOM 0 H TRP A 416 62.760 -9.606 -5.083 1.00 0.00 H new ATOM 0 HA TRP A 416 64.769 -7.592 -5.956 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.696 -10.245 -7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.174 -9.449 -7.601 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.179 -12.169 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.864 -12.688 -3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.878 -7.847 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.098 -11.357 -2.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.776 -7.493 -4.098 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.393 -9.239 -2.451 1.00 0.00 H new ATOM 162 N ILE A 417 62.504 -6.490 -6.984 1.00 0.00 N ATOM 163 CA ILE A 417 61.662 -5.775 -7.990 1.00 0.00 C ATOM 164 C ILE A 417 62.138 -4.331 -8.171 1.00 0.00 C ATOM 165 O ILE A 417 63.259 -3.988 -7.851 1.00 0.00 O ATOM 166 CB ILE A 417 60.245 -5.804 -7.407 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.211 -5.023 -6.090 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.835 -7.253 -7.143 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.769 -4.929 -5.587 1.00 0.00 C ATOM 0 H ILE A 417 62.533 -6.061 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 417 61.715 -6.243 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 417 59.555 -5.348 -8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.835 -5.518 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.622 -4.024 -6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.827 -7.276 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.856 -7.813 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.529 -7.704 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.746 -4.373 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.158 -4.415 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.375 -5.932 -5.424 1.00 0.00 H new ATOM 181 N THR A 418 61.283 -3.485 -8.685 1.00 0.00 N ATOM 182 CA THR A 418 61.667 -2.061 -8.895 1.00 0.00 C ATOM 183 C THR A 418 61.040 -1.181 -7.808 1.00 0.00 C ATOM 184 O THR A 418 60.128 -1.588 -7.114 1.00 0.00 O ATOM 185 CB THR A 418 61.107 -1.696 -10.272 1.00 0.00 C ATOM 186 OG1 THR A 418 59.930 -2.454 -10.524 1.00 0.00 O ATOM 187 CG2 THR A 418 62.150 -1.997 -11.351 1.00 0.00 C ATOM 0 H THR A 418 60.332 -3.722 -8.969 1.00 0.00 H new ATOM 0 HA THR A 418 62.745 -1.911 -8.843 1.00 0.00 H new ATOM 0 HB THR A 418 60.866 -0.633 -10.291 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.571 -2.218 -11.405 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.747 -1.736 -12.330 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.050 -1.412 -11.161 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.397 -3.058 -11.332 1.00 0.00 H new ATOM 195 N CYS A 419 61.531 0.018 -7.654 1.00 0.00 N ATOM 196 CA CYS A 419 60.979 0.933 -6.610 1.00 0.00 C ATOM 197 C CYS A 419 61.065 2.394 -7.083 1.00 0.00 C ATOM 198 O CYS A 419 60.874 3.316 -6.313 1.00 0.00 O ATOM 199 CB CYS A 419 61.860 0.666 -5.379 1.00 0.00 C ATOM 200 SG CYS A 419 63.160 1.917 -5.216 1.00 0.00 S ATOM 0 H CYS A 419 62.294 0.407 -8.208 1.00 0.00 H new ATOM 0 HA CYS A 419 59.925 0.760 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.242 0.661 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.312 -0.323 -5.460 1.00 0.00 H new ATOM 205 N CYS A 420 61.353 2.610 -8.342 1.00 0.00 N ATOM 206 CA CYS A 420 61.457 4.004 -8.870 1.00 0.00 C ATOM 207 C CYS A 420 61.700 3.960 -10.385 1.00 0.00 C ATOM 208 O CYS A 420 61.675 2.900 -10.978 1.00 0.00 O ATOM 209 CB CYS A 420 62.661 4.612 -8.140 1.00 0.00 C ATOM 210 SG CYS A 420 62.135 6.064 -7.194 1.00 0.00 S ATOM 0 H CYS A 420 61.521 1.876 -9.030 1.00 0.00 H new ATOM 0 HA CYS A 420 60.552 4.589 -8.707 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.105 3.873 -7.473 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.430 4.894 -8.859 1.00 0.00 H new ATOM 0 HG CYS A 420 63.159 6.573 -6.576 1.00 0.00 H new ATOM 216 N PRO A 421 61.930 5.111 -10.973 1.00 0.00 N ATOM 217 CA PRO A 421 62.176 5.169 -12.430 1.00 0.00 C ATOM 218 C PRO A 421 63.622 4.769 -12.749 1.00 0.00 C ATOM 219 O PRO A 421 63.974 4.538 -13.889 1.00 0.00 O ATOM 220 CB PRO A 421 61.917 6.630 -12.780 1.00 0.00 C ATOM 221 CG PRO A 421 62.150 7.395 -11.513 1.00 0.00 C ATOM 222 CD PRO A 421 61.984 6.441 -10.354 1.00 0.00 C ATOM 0 HA PRO A 421 61.546 4.485 -12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.586 6.968 -13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.899 6.772 -13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 421 63.150 7.829 -11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 421 61.443 8.221 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.816 6.519 -9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 421 61.074 6.654 -9.793 1.00 0.00 H new ATOM 230 N THR A 422 64.460 4.682 -11.749 1.00 0.00 N ATOM 231 CA THR A 422 65.880 4.292 -11.991 1.00 0.00 C ATOM 232 C THR A 422 66.338 3.300 -10.916 1.00 0.00 C ATOM 233 O THR A 422 67.421 3.413 -10.374 1.00 0.00 O ATOM 234 CB THR A 422 66.674 5.596 -11.891 1.00 0.00 C ATOM 235 OG1 THR A 422 66.183 6.366 -10.802 1.00 0.00 O ATOM 236 CG2 THR A 422 66.518 6.390 -13.190 1.00 0.00 C ATOM 0 H THR A 422 64.222 4.865 -10.774 1.00 0.00 H new ATOM 0 HA THR A 422 66.019 3.807 -12.957 1.00 0.00 H new ATOM 0 HB THR A 422 67.728 5.369 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.692 7.201 -10.736 1.00 0.00 H new ATOM 0 HG21 THR A 422 67.084 7.319 -13.119 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.894 5.799 -14.025 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.465 6.618 -13.353 1.00 0.00 H new ATOM 244 N CYS A 423 65.517 2.334 -10.603 1.00 0.00 N ATOM 245 CA CYS A 423 65.891 1.333 -9.560 1.00 0.00 C ATOM 246 C CYS A 423 66.698 0.187 -10.180 1.00 0.00 C ATOM 247 O CYS A 423 66.676 -0.026 -11.375 1.00 0.00 O ATOM 248 CB CYS A 423 64.557 0.818 -9.018 1.00 0.00 C ATOM 249 SG CYS A 423 64.855 -0.395 -7.706 1.00 0.00 S ATOM 0 H CYS A 423 64.600 2.194 -11.026 1.00 0.00 H new ATOM 0 HA CYS A 423 66.514 1.766 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.966 1.648 -8.631 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.979 0.363 -9.822 1.00 0.00 H new ATOM 254 N ASP A 424 67.408 -0.552 -9.368 1.00 0.00 N ATOM 255 CA ASP A 424 68.216 -1.688 -9.896 1.00 0.00 C ATOM 256 C ASP A 424 68.486 -2.702 -8.779 1.00 0.00 C ATOM 257 O ASP A 424 69.500 -3.375 -8.771 1.00 0.00 O ATOM 258 CB ASP A 424 69.524 -1.057 -10.376 1.00 0.00 C ATOM 259 CG ASP A 424 69.503 -0.930 -11.901 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.963 0.051 -12.386 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.027 -1.815 -12.557 1.00 0.00 O ATOM 0 H ASP A 424 67.462 -0.416 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 424 67.706 -2.223 -10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.654 -0.075 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.371 -1.668 -10.063 1.00 0.00 H new ATOM 266 N VAL A 425 67.587 -2.813 -7.837 1.00 0.00 N ATOM 267 CA VAL A 425 67.790 -3.780 -6.717 1.00 0.00 C ATOM 268 C VAL A 425 67.826 -5.213 -7.254 1.00 0.00 C ATOM 269 O VAL A 425 66.927 -5.656 -7.942 1.00 0.00 O ATOM 270 CB VAL A 425 66.590 -3.571 -5.787 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.558 -4.662 -4.712 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.715 -2.205 -5.110 1.00 0.00 C ATOM 0 H VAL A 425 66.721 -2.276 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 425 68.734 -3.619 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 425 65.672 -3.619 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.701 -4.503 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.475 -5.639 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.475 -4.621 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 425 65.865 -2.049 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.638 -2.169 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.731 -1.423 -5.869 1.00 0.00 H new ATOM 282 N ASP A 426 68.864 -5.938 -6.939 1.00 0.00 N ATOM 283 CA ASP A 426 68.978 -7.345 -7.419 1.00 0.00 C ATOM 284 C ASP A 426 70.143 -8.041 -6.711 1.00 0.00 C ATOM 285 O ASP A 426 71.231 -7.508 -6.622 1.00 0.00 O ATOM 286 CB ASP A 426 69.249 -7.235 -8.922 1.00 0.00 C ATOM 287 CG ASP A 426 68.404 -8.267 -9.671 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.192 -8.224 -9.535 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.982 -9.083 -10.371 1.00 0.00 O ATOM 0 H ASP A 426 69.643 -5.614 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 426 68.081 -7.929 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.010 -6.231 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.307 -7.400 -9.124 1.00 0.00 H new ATOM 294 N ILE A 427 69.922 -9.224 -6.202 1.00 0.00 N ATOM 295 CA ILE A 427 71.019 -9.950 -5.493 1.00 0.00 C ATOM 296 C ILE A 427 72.267 -10.034 -6.378 1.00 0.00 C ATOM 297 O ILE A 427 73.376 -10.138 -5.891 1.00 0.00 O ATOM 298 CB ILE A 427 70.458 -11.342 -5.207 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.501 -12.166 -4.443 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.113 -12.042 -6.524 1.00 0.00 C ATOM 301 CD1 ILE A 427 71.028 -12.386 -3.004 1.00 0.00 C ATOM 0 H ILE A 427 69.031 -9.719 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 427 71.323 -9.442 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 427 69.555 -11.250 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.654 -13.126 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.461 -11.649 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.713 -13.034 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.368 -11.457 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.012 -12.134 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.771 -12.972 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.898 -11.422 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 427 70.078 -12.921 -3.011 1.00 0.00 H new ATOM 313 N ASN A 428 72.097 -9.977 -7.675 1.00 0.00 N ATOM 314 CA ASN A 428 73.280 -10.041 -8.587 1.00 0.00 C ATOM 315 C ASN A 428 74.299 -8.970 -8.185 1.00 0.00 C ATOM 316 O ASN A 428 75.486 -9.107 -8.412 1.00 0.00 O ATOM 317 CB ASN A 428 72.725 -9.756 -9.983 1.00 0.00 C ATOM 318 CG ASN A 428 73.845 -9.893 -11.017 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.716 -10.729 -10.878 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.860 -9.102 -12.054 1.00 0.00 N ATOM 0 H ASN A 428 71.194 -9.889 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 428 73.788 -11.005 -8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.917 -10.450 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.303 -8.752 -10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 428 74.603 -9.185 -12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.129 -8.400 -12.171 1.00 0.00 H new ATOM 327 N THR A 429 73.835 -7.910 -7.580 1.00 0.00 N ATOM 328 CA THR A 429 74.757 -6.824 -7.143 1.00 0.00 C ATOM 329 C THR A 429 74.261 -6.216 -5.826 1.00 0.00 C ATOM 330 O THR A 429 74.645 -5.125 -5.452 1.00 0.00 O ATOM 331 CB THR A 429 74.717 -5.786 -8.269 1.00 0.00 C ATOM 332 OG1 THR A 429 75.580 -4.706 -7.944 1.00 0.00 O ATOM 333 CG2 THR A 429 73.288 -5.264 -8.444 1.00 0.00 C ATOM 0 H THR A 429 72.850 -7.749 -7.369 1.00 0.00 H new ATOM 0 HA THR A 429 75.770 -7.185 -6.966 1.00 0.00 H new ATOM 0 HB THR A 429 75.045 -6.250 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.570 -4.559 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.266 -4.526 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.626 -6.093 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.954 -4.801 -7.516 1.00 0.00 H new ATOM 341 N TRP A 430 73.410 -6.917 -5.119 1.00 0.00 N ATOM 342 CA TRP A 430 72.889 -6.383 -3.827 1.00 0.00 C ATOM 343 C TRP A 430 73.474 -7.167 -2.653 1.00 0.00 C ATOM 344 O TRP A 430 74.049 -8.223 -2.822 1.00 0.00 O ATOM 345 CB TRP A 430 71.380 -6.599 -3.874 1.00 0.00 C ATOM 346 CG TRP A 430 70.746 -5.884 -2.734 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.359 -4.588 -2.701 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.433 -6.439 -1.456 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.819 -4.326 -1.447 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.846 -5.452 -0.643 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.612 -7.713 -0.950 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.445 -5.735 0.663 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.215 -8.020 0.361 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.630 -7.029 1.169 1.00 0.00 C ATOM 0 H TRP A 430 73.055 -7.836 -5.382 1.00 0.00 H new ATOM 0 HA TRP A 430 73.156 -5.335 -3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.978 -6.231 -4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.152 -7.664 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.453 -3.879 -3.510 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.450 -3.420 -1.157 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.060 -8.477 -1.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.998 -4.967 1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.359 -9.018 0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.324 -7.264 2.178 1.00 0.00 H new ATOM 365 N VAL A 431 73.310 -6.660 -1.462 1.00 0.00 N ATOM 366 CA VAL A 431 73.834 -7.369 -0.260 1.00 0.00 C ATOM 367 C VAL A 431 73.025 -6.961 0.977 1.00 0.00 C ATOM 368 O VAL A 431 72.325 -5.968 0.954 1.00 0.00 O ATOM 369 CB VAL A 431 75.287 -6.914 -0.115 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.112 -7.413 -1.303 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.346 -5.384 -0.063 1.00 0.00 C ATOM 0 H VAL A 431 72.833 -5.780 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 431 73.760 -8.452 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 431 75.697 -7.327 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.145 -7.085 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.079 -8.502 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.700 -7.008 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.383 -5.063 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.929 -4.972 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.769 -5.026 0.790 1.00 0.00 H new ATOM 381 N PRO A 432 73.145 -7.739 2.023 1.00 0.00 N ATOM 382 CA PRO A 432 72.411 -7.433 3.276 1.00 0.00 C ATOM 383 C PRO A 432 73.016 -6.203 3.958 1.00 0.00 C ATOM 384 O PRO A 432 74.045 -6.281 4.600 1.00 0.00 O ATOM 385 CB PRO A 432 72.611 -8.686 4.125 1.00 0.00 C ATOM 386 CG PRO A 432 73.869 -9.305 3.608 1.00 0.00 C ATOM 387 CD PRO A 432 73.962 -8.954 2.147 1.00 0.00 C ATOM 0 HA PRO A 432 71.358 -7.202 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.699 -8.437 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.766 -9.368 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.736 -8.929 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.852 -10.386 3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.994 -8.774 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.580 -9.758 1.518 1.00 0.00 H new ATOM 395 N PHE A 433 72.384 -5.068 3.820 1.00 0.00 N ATOM 396 CA PHE A 433 72.919 -3.829 4.454 1.00 0.00 C ATOM 397 C PHE A 433 72.200 -3.559 5.778 1.00 0.00 C ATOM 398 O PHE A 433 72.749 -2.963 6.684 1.00 0.00 O ATOM 399 CB PHE A 433 72.625 -2.714 3.447 1.00 0.00 C ATOM 400 CG PHE A 433 73.838 -1.827 3.298 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.022 -2.346 2.759 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.779 -0.487 3.696 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.147 -1.522 2.618 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.903 0.336 3.557 1.00 0.00 C ATOM 405 CZ PHE A 433 76.087 -0.181 3.018 1.00 0.00 C ATOM 0 H PHE A 433 71.518 -4.946 3.294 1.00 0.00 H new ATOM 0 HA PHE A 433 73.982 -3.906 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.357 -3.144 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.771 -2.125 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.068 -3.380 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.866 -0.087 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.060 -1.921 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.857 1.370 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.954 0.454 2.911 1.00 0.00 H new ATOM 415 N TYR A 434 70.973 -3.993 5.895 1.00 0.00 N ATOM 416 CA TYR A 434 70.213 -3.760 7.159 1.00 0.00 C ATOM 417 C TYR A 434 70.521 -4.870 8.168 1.00 0.00 C ATOM 418 O TYR A 434 70.743 -6.008 7.803 1.00 0.00 O ATOM 419 CB TYR A 434 68.735 -3.793 6.756 1.00 0.00 C ATOM 420 CG TYR A 434 68.515 -2.911 5.548 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.688 -1.525 5.650 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.143 -3.481 4.325 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.489 -0.710 4.528 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.943 -2.667 3.204 1.00 0.00 C ATOM 425 CZ TYR A 434 68.116 -1.281 3.306 1.00 0.00 C ATOM 426 OH TYR A 434 67.920 -0.479 2.201 1.00 0.00 O ATOM 0 H TYR A 434 70.464 -4.499 5.170 1.00 0.00 H new ATOM 0 HA TYR A 434 70.480 -2.814 7.631 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.432 -4.816 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.115 -3.452 7.585 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.975 -1.085 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.010 -4.550 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.623 0.359 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.655 -3.108 2.261 1.00 0.00 H new ATOM 0 HH TYR A 434 67.666 -1.034 1.435 1.00 0.00 H new ATOM 436 N SER A 435 70.537 -4.547 9.433 1.00 0.00 N ATOM 437 CA SER A 435 70.834 -5.582 10.466 1.00 0.00 C ATOM 438 C SER A 435 69.600 -6.455 10.714 1.00 0.00 C ATOM 439 O SER A 435 69.689 -7.666 10.784 1.00 0.00 O ATOM 440 CB SER A 435 71.197 -4.796 11.724 1.00 0.00 C ATOM 441 OG SER A 435 71.627 -5.699 12.733 1.00 0.00 O ATOM 0 H SER A 435 70.357 -3.611 9.796 1.00 0.00 H new ATOM 0 HA SER A 435 71.638 -6.251 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.986 -4.077 11.503 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.335 -4.227 12.072 1.00 0.00 H new ATOM 0 HG SER A 435 71.862 -5.198 13.542 1.00 0.00 H new ATOM 447 N THR A 436 68.449 -5.850 10.847 1.00 0.00 N ATOM 448 CA THR A 436 67.209 -6.646 11.091 1.00 0.00 C ATOM 449 C THR A 436 66.962 -7.612 9.928 1.00 0.00 C ATOM 450 O THR A 436 66.341 -8.645 10.088 1.00 0.00 O ATOM 451 CB THR A 436 66.080 -5.616 11.185 1.00 0.00 C ATOM 452 OG1 THR A 436 64.846 -6.289 11.401 1.00 0.00 O ATOM 453 CG2 THR A 436 66.000 -4.809 9.887 1.00 0.00 C ATOM 0 H THR A 436 68.313 -4.840 10.797 1.00 0.00 H new ATOM 0 HA THR A 436 67.281 -7.250 11.995 1.00 0.00 H new ATOM 0 HB THR A 436 66.280 -4.938 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 436 64.122 -5.632 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.194 -4.078 9.962 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.945 -4.292 9.721 1.00 0.00 H new ATOM 0 HG23 THR A 436 65.804 -5.481 9.052 1.00 0.00 H new ATOM 461 N GLU A 437 67.444 -7.284 8.759 1.00 0.00 N ATOM 462 CA GLU A 437 67.238 -8.182 7.585 1.00 0.00 C ATOM 463 C GLU A 437 68.302 -9.282 7.565 1.00 0.00 C ATOM 464 O GLU A 437 69.128 -9.376 8.453 1.00 0.00 O ATOM 465 CB GLU A 437 67.381 -7.275 6.363 1.00 0.00 C ATOM 466 CG GLU A 437 66.291 -6.202 6.391 1.00 0.00 C ATOM 467 CD GLU A 437 64.949 -6.826 6.005 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.658 -6.871 4.821 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.236 -7.250 6.900 1.00 0.00 O ATOM 0 H GLU A 437 67.972 -6.433 8.566 1.00 0.00 H new ATOM 0 HA GLU A 437 66.269 -8.680 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.366 -6.808 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.303 -7.864 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.226 -5.761 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.541 -5.396 5.701 1.00 0.00 H new ATOM 476 N LEU A 438 68.288 -10.114 6.558 1.00 0.00 N ATOM 477 CA LEU A 438 69.297 -11.210 6.476 1.00 0.00 C ATOM 478 C LEU A 438 69.883 -11.278 5.064 1.00 0.00 C ATOM 479 O LEU A 438 71.083 -11.350 4.882 1.00 0.00 O ATOM 480 CB LEU A 438 68.520 -12.488 6.798 1.00 0.00 C ATOM 481 CG LEU A 438 69.364 -13.390 7.706 1.00 0.00 C ATOM 482 CD1 LEU A 438 68.727 -13.458 9.096 1.00 0.00 C ATOM 483 CD2 LEU A 438 69.429 -14.798 7.109 1.00 0.00 C ATOM 0 H LEU A 438 67.620 -10.082 5.788 1.00 0.00 H new ATOM 0 HA LEU A 438 70.132 -11.059 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.579 -12.239 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.269 -13.015 5.877 1.00 0.00 H new ATOM 0 HG LEU A 438 70.371 -12.980 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 438 69.328 -14.100 9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 438 68.679 -12.457 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 438 67.720 -13.866 9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 438 70.029 -15.440 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 438 68.421 -15.206 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 438 69.883 -14.753 6.119 1.00 0.00 H new ATOM 495 N ASN A 439 69.045 -11.257 4.063 1.00 0.00 N ATOM 496 CA ASN A 439 69.547 -11.319 2.660 1.00 0.00 C ATOM 497 C ASN A 439 68.530 -10.687 1.706 1.00 0.00 C ATOM 498 O ASN A 439 68.303 -11.174 0.616 1.00 0.00 O ATOM 499 CB ASN A 439 69.708 -12.807 2.362 1.00 0.00 C ATOM 500 CG ASN A 439 70.464 -12.985 1.043 1.00 0.00 C ATOM 501 OD1 ASN A 439 69.922 -13.496 0.084 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.701 -12.582 0.956 1.00 0.00 N ATOM 0 H ASN A 439 68.031 -11.199 4.157 1.00 0.00 H new ATOM 0 HA ASN A 439 70.483 -10.775 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 439 70.250 -13.294 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.730 -13.284 2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 439 72.214 -12.696 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 439 72.155 -12.153 1.762 1.00 0.00 H new ATOM 509 N LYS A 440 67.918 -9.606 2.110 1.00 0.00 N ATOM 510 CA LYS A 440 66.915 -8.941 1.228 1.00 0.00 C ATOM 511 C LYS A 440 66.713 -7.481 1.657 1.00 0.00 C ATOM 512 O LYS A 440 66.889 -7.148 2.813 1.00 0.00 O ATOM 513 CB LYS A 440 65.623 -9.742 1.418 1.00 0.00 C ATOM 514 CG LYS A 440 65.218 -9.734 2.896 1.00 0.00 C ATOM 515 CD LYS A 440 63.730 -9.400 3.019 1.00 0.00 C ATOM 516 CE LYS A 440 62.898 -10.564 2.476 1.00 0.00 C ATOM 517 NZ LYS A 440 61.628 -10.523 3.254 1.00 0.00 N ATOM 0 H LYS A 440 68.069 -9.155 3.012 1.00 0.00 H new ATOM 0 HA LYS A 440 67.232 -8.923 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.826 -9.313 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.767 -10.767 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.421 -10.707 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.812 -9.001 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.474 -9.212 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.504 -8.489 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 440 62.711 -10.452 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.413 -11.515 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 61.003 -11.292 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 61.837 -10.639 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 61.156 -9.609 3.101 1.00 0.00 H new ATOM 531 N PRO A 441 66.347 -6.655 0.709 1.00 0.00 N ATOM 532 CA PRO A 441 66.119 -5.218 1.000 1.00 0.00 C ATOM 533 C PRO A 441 64.837 -5.024 1.814 1.00 0.00 C ATOM 534 O PRO A 441 63.859 -5.721 1.626 1.00 0.00 O ATOM 535 CB PRO A 441 65.979 -4.587 -0.384 1.00 0.00 C ATOM 536 CG PRO A 441 65.537 -5.703 -1.275 1.00 0.00 C ATOM 537 CD PRO A 441 66.114 -6.974 -0.706 1.00 0.00 C ATOM 0 HA PRO A 441 66.921 -4.775 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.251 -3.776 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.925 -4.163 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.449 -5.757 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.886 -5.544 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.425 -7.811 -0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 441 67.039 -7.253 -1.210 1.00 0.00 H new ATOM 545 N ALA A 442 64.835 -4.074 2.712 1.00 0.00 N ATOM 546 CA ALA A 442 63.616 -3.822 3.536 1.00 0.00 C ATOM 547 C ALA A 442 62.734 -2.776 2.849 1.00 0.00 C ATOM 548 O ALA A 442 62.780 -1.603 3.168 1.00 0.00 O ATOM 549 CB ALA A 442 64.144 -3.290 4.870 1.00 0.00 C ATOM 0 H ALA A 442 65.626 -3.461 2.911 1.00 0.00 H new ATOM 0 HA ALA A 442 63.008 -4.717 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.306 -3.079 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 442 64.792 -4.037 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.710 -2.374 4.698 1.00 0.00 H new ATOM 555 N MET A 443 61.938 -3.191 1.900 1.00 0.00 N ATOM 556 CA MET A 443 61.057 -2.224 1.178 1.00 0.00 C ATOM 557 C MET A 443 60.146 -1.482 2.159 1.00 0.00 C ATOM 558 O MET A 443 59.789 -1.992 3.203 1.00 0.00 O ATOM 559 CB MET A 443 60.222 -3.081 0.225 1.00 0.00 C ATOM 560 CG MET A 443 60.842 -3.047 -1.172 1.00 0.00 C ATOM 561 SD MET A 443 59.564 -3.398 -2.404 1.00 0.00 S ATOM 562 CE MET A 443 60.382 -2.617 -3.813 1.00 0.00 C ATOM 0 H MET A 443 61.859 -4.160 1.592 1.00 0.00 H new ATOM 0 HA MET A 443 61.636 -1.465 0.652 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.176 -4.108 0.589 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.198 -2.710 0.188 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.287 -2.070 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.644 -3.782 -1.244 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.632 -2.191 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 443 61.042 -1.826 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.966 -3.362 -4.353 1.00 0.00 H new ATOM 572 N ILE A 444 59.766 -0.280 1.821 1.00 0.00 N ATOM 573 CA ILE A 444 58.874 0.511 2.711 1.00 0.00 C ATOM 574 C ILE A 444 57.553 0.805 1.991 1.00 0.00 C ATOM 575 O ILE A 444 57.461 0.690 0.783 1.00 0.00 O ATOM 576 CB ILE A 444 59.638 1.808 2.989 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.862 2.574 1.677 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.991 1.480 3.625 1.00 0.00 C ATOM 579 CD1 ILE A 444 58.904 3.766 1.603 1.00 0.00 C ATOM 0 H ILE A 444 60.039 0.191 0.958 1.00 0.00 H new ATOM 0 HA ILE A 444 58.628 -0.017 3.632 1.00 0.00 H new ATOM 0 HB ILE A 444 59.055 2.427 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.894 2.921 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.700 1.912 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.534 2.404 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.833 0.945 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.571 0.857 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.067 4.306 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 444 57.875 3.409 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 444 59.087 4.433 2.445 1.00 0.00 H new ATOM 591 N TYR A 445 56.533 1.179 2.717 1.00 0.00 N ATOM 592 CA TYR A 445 55.225 1.473 2.065 1.00 0.00 C ATOM 593 C TYR A 445 54.972 2.988 2.026 1.00 0.00 C ATOM 594 O TYR A 445 55.117 3.676 3.017 1.00 0.00 O ATOM 595 CB TYR A 445 54.179 0.749 2.926 1.00 0.00 C ATOM 596 CG TYR A 445 53.837 1.571 4.149 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.843 2.553 4.070 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.511 1.351 5.356 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.520 3.315 5.198 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.189 2.115 6.485 1.00 0.00 C ATOM 601 CZ TYR A 445 53.194 3.096 6.406 1.00 0.00 C ATOM 602 OH TYR A 445 52.876 3.848 7.519 1.00 0.00 O ATOM 0 H TYR A 445 56.549 1.293 3.730 1.00 0.00 H new ATOM 0 HA TYR A 445 55.191 1.135 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.279 0.568 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.562 -0.225 3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.325 2.723 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.278 0.593 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.752 4.071 5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.709 1.947 7.417 1.00 0.00 H new ATOM 0 HH TYR A 445 53.436 3.569 8.273 1.00 0.00 H new ATOM 612 N CYS A 446 54.591 3.509 0.887 1.00 0.00 N ATOM 613 CA CYS A 446 54.327 4.977 0.789 1.00 0.00 C ATOM 614 C CYS A 446 53.030 5.325 1.527 1.00 0.00 C ATOM 615 O CYS A 446 52.102 4.541 1.570 1.00 0.00 O ATOM 616 CB CYS A 446 54.187 5.264 -0.709 1.00 0.00 C ATOM 617 SG CYS A 446 54.187 7.055 -0.986 1.00 0.00 S ATOM 0 H CYS A 446 54.452 2.984 0.024 1.00 0.00 H new ATOM 0 HA CYS A 446 55.123 5.570 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.008 4.801 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.264 4.827 -1.089 1.00 0.00 H new ATOM 622 N SER A 447 52.962 6.491 2.112 1.00 0.00 N ATOM 623 CA SER A 447 51.727 6.887 2.851 1.00 0.00 C ATOM 624 C SER A 447 50.756 7.626 1.923 1.00 0.00 C ATOM 625 O SER A 447 49.568 7.681 2.175 1.00 0.00 O ATOM 626 CB SER A 447 52.213 7.815 3.963 1.00 0.00 C ATOM 627 OG SER A 447 51.119 8.151 4.806 1.00 0.00 O ATOM 0 H SER A 447 53.708 7.187 2.110 1.00 0.00 H new ATOM 0 HA SER A 447 51.190 6.023 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.997 7.328 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.648 8.718 3.535 1.00 0.00 H new ATOM 0 HG SER A 447 51.428 8.745 5.522 1.00 0.00 H new ATOM 633 N HIS A 448 51.252 8.196 0.856 1.00 0.00 N ATOM 634 CA HIS A 448 50.354 8.933 -0.084 1.00 0.00 C ATOM 635 C HIS A 448 49.236 8.016 -0.589 1.00 0.00 C ATOM 636 O HIS A 448 49.168 6.855 -0.233 1.00 0.00 O ATOM 637 CB HIS A 448 51.259 9.361 -1.241 1.00 0.00 C ATOM 638 CG HIS A 448 50.698 10.595 -1.891 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.067 10.992 -3.167 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.793 11.532 -1.454 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.394 12.122 -3.451 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.603 12.495 -2.441 1.00 0.00 N ATOM 0 H HIS A 448 52.238 8.184 0.595 1.00 0.00 H new ATOM 0 HA HIS A 448 49.869 9.784 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.267 9.557 -0.874 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.337 8.556 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.304 11.523 -0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.482 12.662 -4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 448 48.991 13.310 -2.402 1.00 0.00 H new ATOM 650 N GLY A 449 48.362 8.527 -1.415 1.00 0.00 N ATOM 651 CA GLY A 449 47.248 7.686 -1.946 1.00 0.00 C ATOM 652 C GLY A 449 47.830 6.484 -2.689 1.00 0.00 C ATOM 653 O GLY A 449 48.878 6.570 -3.299 1.00 0.00 O ATOM 0 H GLY A 449 48.371 9.492 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.611 7.349 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.622 8.274 -2.617 1.00 0.00 H new ATOM 657 N ASP A 450 47.164 5.358 -2.639 1.00 0.00 N ATOM 658 CA ASP A 450 47.684 4.143 -3.339 1.00 0.00 C ATOM 659 C ASP A 450 49.136 3.880 -2.922 1.00 0.00 C ATOM 660 O ASP A 450 50.031 3.841 -3.744 1.00 0.00 O ATOM 661 CB ASP A 450 47.601 4.471 -4.831 1.00 0.00 C ATOM 662 CG ASP A 450 46.183 4.200 -5.336 1.00 0.00 C ATOM 663 OD1 ASP A 450 45.316 5.019 -5.076 1.00 0.00 O ATOM 664 OD2 ASP A 450 45.986 3.178 -5.973 1.00 0.00 O ATOM 0 H ASP A 450 46.282 5.227 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 450 47.113 3.248 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.865 5.515 -5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 450 48.318 3.867 -5.387 1.00 0.00 H new ATOM 669 N GLY A 451 49.371 3.712 -1.648 1.00 0.00 N ATOM 670 CA GLY A 451 50.760 3.462 -1.163 1.00 0.00 C ATOM 671 C GLY A 451 51.360 2.253 -1.886 1.00 0.00 C ATOM 672 O GLY A 451 50.672 1.302 -2.205 1.00 0.00 O ATOM 0 H GLY A 451 48.658 3.737 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.378 4.343 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.752 3.285 -0.087 1.00 0.00 H new ATOM 676 N HIS A 452 52.643 2.278 -2.129 1.00 0.00 N ATOM 677 CA HIS A 452 53.299 1.128 -2.813 1.00 0.00 C ATOM 678 C HIS A 452 54.525 0.682 -2.027 1.00 0.00 C ATOM 679 O HIS A 452 54.894 1.280 -1.035 1.00 0.00 O ATOM 680 CB HIS A 452 53.703 1.604 -4.214 1.00 0.00 C ATOM 681 CG HIS A 452 54.467 2.905 -4.154 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.712 3.054 -4.750 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.175 4.127 -3.598 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.114 4.322 -4.539 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.212 5.012 -3.841 1.00 0.00 N ATOM 0 H HIS A 452 53.266 3.047 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 452 52.621 0.277 -2.879 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.316 0.842 -4.696 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.811 1.732 -4.828 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.228 2.334 -5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.272 4.362 -3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.050 4.729 -4.891 1.00 0.00 H new ATOM 693 N TRP A 453 55.150 -0.369 -2.467 1.00 0.00 N ATOM 694 CA TRP A 453 56.351 -0.881 -1.758 1.00 0.00 C ATOM 695 C TRP A 453 57.622 -0.535 -2.539 1.00 0.00 C ATOM 696 O TRP A 453 57.740 -0.837 -3.709 1.00 0.00 O ATOM 697 CB TRP A 453 56.145 -2.391 -1.721 1.00 0.00 C ATOM 698 CG TRP A 453 55.296 -2.752 -0.544 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.057 -3.288 -0.617 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.601 -2.612 0.873 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.581 -3.486 0.666 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.495 -3.085 1.619 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.716 -2.125 1.577 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.496 -3.076 3.014 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.721 -2.114 2.982 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.613 -2.589 3.698 1.00 0.00 C ATOM 0 H TRP A 453 54.879 -0.900 -3.294 1.00 0.00 H new ATOM 0 HA TRP A 453 56.468 -0.448 -0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.669 -2.726 -2.642 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.108 -2.898 -1.657 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.526 -3.523 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.665 -3.881 0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.574 -1.757 1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.640 -3.443 3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.583 -1.738 3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 453 55.623 -2.578 4.778 1.00 0.00 H new ATOM 717 N VAL A 454 58.575 0.091 -1.899 1.00 0.00 N ATOM 718 CA VAL A 454 59.836 0.447 -2.614 1.00 0.00 C ATOM 719 C VAL A 454 61.032 0.396 -1.654 1.00 0.00 C ATOM 720 O VAL A 454 60.909 0.682 -0.481 1.00 0.00 O ATOM 721 CB VAL A 454 59.618 1.868 -3.140 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.425 1.885 -4.097 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.339 2.812 -1.973 1.00 0.00 C ATOM 0 H VAL A 454 58.535 0.370 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 454 60.057 -0.250 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 454 60.514 2.195 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.272 2.898 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.621 1.216 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.531 1.554 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.184 3.822 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.445 2.482 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.188 2.806 -1.290 1.00 0.00 H new ATOM 733 N HIS A 455 62.189 0.029 -2.145 1.00 0.00 N ATOM 734 CA HIS A 455 63.394 -0.043 -1.258 1.00 0.00 C ATOM 735 C HIS A 455 63.655 1.322 -0.616 1.00 0.00 C ATOM 736 O HIS A 455 63.259 2.347 -1.136 1.00 0.00 O ATOM 737 CB HIS A 455 64.566 -0.436 -2.169 1.00 0.00 C ATOM 738 CG HIS A 455 64.201 -1.633 -2.993 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.056 -1.570 -4.383 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.913 -2.919 -2.638 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.681 -2.801 -4.807 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.587 -3.627 -3.777 1.00 0.00 N ATOM 0 H HIS A 455 62.353 -0.224 -3.120 1.00 0.00 H new ATOM 0 HA HIS A 455 63.258 -0.763 -0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.825 0.398 -2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.447 -0.655 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.936 -3.316 -1.634 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.487 -3.069 -5.835 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.321 -4.611 -3.818 1.00 0.00 H new ATOM 750 N ALA A 456 64.318 1.344 0.509 1.00 0.00 N ATOM 751 CA ALA A 456 64.602 2.643 1.185 1.00 0.00 C ATOM 752 C ALA A 456 65.924 3.227 0.677 1.00 0.00 C ATOM 753 O ALA A 456 65.983 4.358 0.235 1.00 0.00 O ATOM 754 CB ALA A 456 64.706 2.300 2.671 1.00 0.00 C ATOM 0 H ALA A 456 64.675 0.518 0.989 1.00 0.00 H new ATOM 0 HA ALA A 456 63.830 3.387 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.915 3.206 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.765 1.867 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.512 1.582 2.823 1.00 0.00 H new ATOM 760 N GLN A 457 66.983 2.464 0.738 1.00 0.00 N ATOM 761 CA GLN A 457 68.305 2.972 0.261 1.00 0.00 C ATOM 762 C GLN A 457 68.205 3.443 -1.196 1.00 0.00 C ATOM 763 O GLN A 457 68.949 4.300 -1.631 1.00 0.00 O ATOM 764 CB GLN A 457 69.256 1.777 0.384 1.00 0.00 C ATOM 765 CG GLN A 457 70.624 2.136 -0.202 1.00 0.00 C ATOM 766 CD GLN A 457 71.252 3.265 0.619 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.290 3.202 1.832 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.751 4.302 0.003 1.00 0.00 N ATOM 0 H GLN A 457 66.991 1.510 1.098 1.00 0.00 H new ATOM 0 HA GLN A 457 68.652 3.828 0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.363 1.492 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.841 0.916 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 457 71.275 1.262 -0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.516 2.445 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 457 71.719 4.355 -1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.173 5.060 0.540 1.00 0.00 H new ATOM 777 N CYS A 458 67.291 2.891 -1.950 1.00 0.00 N ATOM 778 CA CYS A 458 67.146 3.312 -3.375 1.00 0.00 C ATOM 779 C CYS A 458 66.763 4.793 -3.451 1.00 0.00 C ATOM 780 O CYS A 458 67.110 5.486 -4.387 1.00 0.00 O ATOM 781 CB CYS A 458 66.019 2.447 -3.940 1.00 0.00 C ATOM 782 SG CYS A 458 66.703 0.905 -4.600 1.00 0.00 S ATOM 0 H CYS A 458 66.640 2.169 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 458 68.074 3.188 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.290 2.228 -3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.492 2.988 -4.726 1.00 0.00 H new ATOM 787 N MET A 459 66.046 5.280 -2.473 1.00 0.00 N ATOM 788 CA MET A 459 65.634 6.714 -2.489 1.00 0.00 C ATOM 789 C MET A 459 66.738 7.594 -1.891 1.00 0.00 C ATOM 790 O MET A 459 67.539 8.164 -2.606 1.00 0.00 O ATOM 791 CB MET A 459 64.368 6.772 -1.632 1.00 0.00 C ATOM 792 CG MET A 459 63.140 6.535 -2.515 1.00 0.00 C ATOM 793 SD MET A 459 62.880 4.757 -2.722 1.00 0.00 S ATOM 794 CE MET A 459 61.864 4.850 -4.215 1.00 0.00 C ATOM 0 H MET A 459 65.728 4.747 -1.664 1.00 0.00 H new ATOM 0 HA MET A 459 65.457 7.081 -3.500 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.414 6.019 -0.846 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.293 7.742 -1.140 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.260 6.992 -2.062 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.281 7.008 -3.487 1.00 0.00 H new ATOM 0 HE1 MET A 459 60.962 4.253 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.588 5.888 -4.403 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.429 4.465 -5.064 1.00 0.00 H new ATOM 804 N ASP A 460 66.792 7.705 -0.586 1.00 0.00 N ATOM 805 CA ASP A 460 67.843 8.541 0.058 1.00 0.00 C ATOM 806 C ASP A 460 67.726 8.455 1.583 1.00 0.00 C ATOM 807 O ASP A 460 67.849 9.444 2.279 1.00 0.00 O ATOM 808 CB ASP A 460 67.582 9.974 -0.418 1.00 0.00 C ATOM 809 CG ASP A 460 66.152 10.384 -0.060 1.00 0.00 C ATOM 810 OD1 ASP A 460 65.873 10.523 1.120 1.00 0.00 O ATOM 811 OD2 ASP A 460 65.359 10.554 -0.971 1.00 0.00 O ATOM 0 H ASP A 460 66.148 7.249 0.061 1.00 0.00 H new ATOM 0 HA ASP A 460 68.846 8.206 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.293 10.657 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 460 67.731 10.042 -1.496 1.00 0.00 H new ATOM 816 N LEU A 461 67.489 7.282 2.106 1.00 0.00 N ATOM 817 CA LEU A 461 67.365 7.135 3.586 1.00 0.00 C ATOM 818 C LEU A 461 68.573 6.380 4.146 1.00 0.00 C ATOM 819 O LEU A 461 69.374 5.839 3.410 1.00 0.00 O ATOM 820 CB LEU A 461 66.082 6.332 3.797 1.00 0.00 C ATOM 821 CG LEU A 461 64.875 7.181 3.394 1.00 0.00 C ATOM 822 CD1 LEU A 461 63.763 6.271 2.871 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.368 7.955 4.613 1.00 0.00 C ATOM 0 H LEU A 461 67.376 6.420 1.573 1.00 0.00 H new ATOM 0 HA LEU A 461 67.331 8.098 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.111 5.418 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 461 65.996 6.032 4.841 1.00 0.00 H new ATOM 0 HG LEU A 461 65.168 7.882 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 461 62.903 6.876 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.123 5.718 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 461 63.469 5.570 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.508 8.561 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.075 7.253 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.160 8.604 4.987 1.00 0.00 H new ATOM 835 N GLU A 462 68.708 6.342 5.445 1.00 0.00 N ATOM 836 CA GLU A 462 69.863 5.624 6.058 1.00 0.00 C ATOM 837 C GLU A 462 69.363 4.554 7.032 1.00 0.00 C ATOM 838 O GLU A 462 68.178 4.428 7.275 1.00 0.00 O ATOM 839 CB GLU A 462 70.648 6.704 6.803 1.00 0.00 C ATOM 840 CG GLU A 462 72.087 6.231 7.022 1.00 0.00 C ATOM 841 CD GLU A 462 73.003 7.445 7.192 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.819 8.407 6.465 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.872 7.391 8.047 1.00 0.00 O ATOM 0 H GLU A 462 68.067 6.778 6.109 1.00 0.00 H new ATOM 0 HA GLU A 462 70.476 5.114 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.642 7.632 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.174 6.917 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.141 5.595 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.416 5.629 6.175 1.00 0.00 H new ATOM 850 N GLU A 463 70.257 3.784 7.593 1.00 0.00 N ATOM 851 CA GLU A 463 69.835 2.722 8.553 1.00 0.00 C ATOM 852 C GLU A 463 69.105 3.346 9.747 1.00 0.00 C ATOM 853 O GLU A 463 68.071 2.870 10.171 1.00 0.00 O ATOM 854 CB GLU A 463 71.135 2.055 9.006 1.00 0.00 C ATOM 855 CG GLU A 463 70.814 0.906 9.966 1.00 0.00 C ATOM 856 CD GLU A 463 70.066 -0.194 9.213 1.00 0.00 C ATOM 857 OE1 GLU A 463 70.549 -0.606 8.170 1.00 0.00 O ATOM 858 OE2 GLU A 463 69.021 -0.607 9.690 1.00 0.00 O ATOM 0 H GLU A 463 71.262 3.844 7.428 1.00 0.00 H new ATOM 0 HA GLU A 463 69.148 2.007 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.683 1.679 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.778 2.785 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 463 71.734 0.508 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.208 1.270 10.796 1.00 0.00 H new ATOM 865 N ARG A 464 69.639 4.408 10.288 1.00 0.00 N ATOM 866 CA ARG A 464 68.977 5.066 11.453 1.00 0.00 C ATOM 867 C ARG A 464 67.605 5.605 11.046 1.00 0.00 C ATOM 868 O ARG A 464 66.593 5.221 11.598 1.00 0.00 O ATOM 869 CB ARG A 464 69.911 6.213 11.845 1.00 0.00 C ATOM 870 CG ARG A 464 69.377 6.900 13.103 1.00 0.00 C ATOM 871 CD ARG A 464 70.055 8.262 13.268 1.00 0.00 C ATOM 872 NE ARG A 464 69.504 8.815 14.535 1.00 0.00 N ATOM 873 CZ ARG A 464 69.378 10.105 14.685 1.00 0.00 C ATOM 874 NH1 ARG A 464 70.372 10.896 14.389 1.00 0.00 N ATOM 875 NH2 ARG A 464 68.257 10.603 15.132 1.00 0.00 N ATOM 0 H ARG A 464 70.504 4.848 9.975 1.00 0.00 H new ATOM 0 HA ARG A 464 68.813 4.375 12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.916 5.832 12.025 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.984 6.932 11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 464 68.297 7.026 13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 464 69.567 6.279 13.978 1.00 0.00 H new ATOM 0 HD2 ARG A 464 71.139 8.160 13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 464 69.837 8.916 12.424 1.00 0.00 H new ATOM 0 HE ARG A 464 69.225 8.185 15.287 1.00 0.00 H new ATOM 0 HH11 ARG A 464 71.248 10.506 14.040 1.00 0.00 H new ATOM 0 HH12 ARG A 464 70.274 11.904 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 464 67.480 9.984 15.364 1.00 0.00 H new ATOM 0 HH22 ARG A 464 68.158 11.611 15.250 1.00 0.00 H new ATOM 889 N THR A 465 67.563 6.489 10.082 1.00 0.00 N ATOM 890 CA THR A 465 66.253 7.055 9.634 1.00 0.00 C ATOM 891 C THR A 465 65.232 5.935 9.424 1.00 0.00 C ATOM 892 O THR A 465 64.079 6.061 9.787 1.00 0.00 O ATOM 893 CB THR A 465 66.554 7.761 8.310 1.00 0.00 C ATOM 894 OG1 THR A 465 67.769 8.490 8.429 1.00 0.00 O ATOM 895 CG2 THR A 465 65.414 8.721 7.970 1.00 0.00 C ATOM 0 H THR A 465 68.380 6.844 9.585 1.00 0.00 H new ATOM 0 HA THR A 465 65.828 7.736 10.371 1.00 0.00 H new ATOM 0 HB THR A 465 66.650 7.019 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.964 8.941 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.630 9.223 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.483 8.162 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.315 9.464 8.762 1.00 0.00 H new ATOM 903 N LEU A 466 65.650 4.833 8.859 1.00 0.00 N ATOM 904 CA LEU A 466 64.702 3.701 8.647 1.00 0.00 C ATOM 905 C LEU A 466 64.238 3.176 10.007 1.00 0.00 C ATOM 906 O LEU A 466 63.086 2.831 10.189 1.00 0.00 O ATOM 907 CB LEU A 466 65.501 2.633 7.895 1.00 0.00 C ATOM 908 CG LEU A 466 64.766 2.254 6.608 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.647 1.328 5.768 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.462 1.534 6.961 1.00 0.00 C ATOM 0 H LEU A 466 66.604 4.668 8.536 1.00 0.00 H new ATOM 0 HA LEU A 466 63.815 3.994 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.497 3.008 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.632 1.752 8.524 1.00 0.00 H new ATOM 0 HG LEU A 466 64.543 3.156 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.122 1.059 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.576 1.839 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.871 0.425 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.937 1.263 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.687 0.632 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.833 2.193 7.559 1.00 0.00 H new ATOM 922 N ILE A 467 65.123 3.135 10.971 1.00 0.00 N ATOM 923 CA ILE A 467 64.721 2.658 12.325 1.00 0.00 C ATOM 924 C ILE A 467 63.714 3.647 12.904 1.00 0.00 C ATOM 925 O ILE A 467 62.650 3.283 13.366 1.00 0.00 O ATOM 926 CB ILE A 467 66.026 2.626 13.149 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.132 1.280 13.872 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.051 3.760 14.192 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.530 0.193 12.871 1.00 0.00 C ATOM 0 H ILE A 467 66.101 3.410 10.878 1.00 0.00 H new ATOM 0 HA ILE A 467 64.249 1.675 12.320 1.00 0.00 H new ATOM 0 HB ILE A 467 66.867 2.761 12.468 1.00 0.00 H new ATOM 0 HG12 ILE A 467 66.871 1.342 14.671 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.179 1.029 14.338 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.981 3.713 14.758 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.983 4.722 13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.207 3.648 14.872 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.606 -0.765 13.385 1.00 0.00 H new ATOM 0 HD12 ILE A 467 65.775 0.126 12.088 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.493 0.443 12.426 1.00 0.00 H new ATOM 941 N HIS A 468 64.051 4.906 12.864 1.00 0.00 N ATOM 942 CA HIS A 468 63.136 5.947 13.393 1.00 0.00 C ATOM 943 C HIS A 468 61.794 5.840 12.668 1.00 0.00 C ATOM 944 O HIS A 468 60.743 5.765 13.276 1.00 0.00 O ATOM 945 CB HIS A 468 63.838 7.271 13.071 1.00 0.00 C ATOM 946 CG HIS A 468 62.957 8.417 13.464 1.00 0.00 C ATOM 947 ND1 HIS A 468 63.378 9.433 14.307 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.669 8.716 13.128 1.00 0.00 C ATOM 949 CE1 HIS A 468 62.350 10.292 14.446 1.00 0.00 C ATOM 950 NE2 HIS A 468 61.280 9.900 13.748 1.00 0.00 N ATOM 0 H HIS A 468 64.930 5.258 12.484 1.00 0.00 H new ATOM 0 HA HIS A 468 62.934 5.853 14.460 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.787 7.330 13.604 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.066 7.323 12.006 1.00 0.00 H new ATOM 0 HD2 HIS A 468 61.044 8.122 12.478 1.00 0.00 H new ATOM 0 HE1 HIS A 468 62.386 11.188 15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.375 10.367 13.684 1.00 0.00 H new ATOM 958 N LEU A 469 61.834 5.821 11.366 1.00 0.00 N ATOM 959 CA LEU A 469 60.579 5.710 10.575 1.00 0.00 C ATOM 960 C LEU A 469 59.903 4.358 10.832 1.00 0.00 C ATOM 961 O LEU A 469 58.749 4.163 10.504 1.00 0.00 O ATOM 962 CB LEU A 469 61.030 5.827 9.120 1.00 0.00 C ATOM 963 CG LEU A 469 60.880 7.279 8.663 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.657 7.490 7.363 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.398 7.595 8.433 1.00 0.00 C ATOM 0 H LEU A 469 62.689 5.878 10.812 1.00 0.00 H new ATOM 0 HA LEU A 469 59.849 6.475 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.067 5.507 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.433 5.170 8.487 1.00 0.00 H new ATOM 0 HG LEU A 469 61.276 7.942 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.549 8.525 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.711 7.270 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.265 6.826 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.293 8.630 8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.999 6.931 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.846 7.449 9.362 1.00 0.00 H new ATOM 977 N SER A 470 60.607 3.425 11.421 1.00 0.00 N ATOM 978 CA SER A 470 59.992 2.096 11.702 1.00 0.00 C ATOM 979 C SER A 470 59.293 2.111 13.066 1.00 0.00 C ATOM 980 O SER A 470 58.819 1.096 13.539 1.00 0.00 O ATOM 981 CB SER A 470 61.160 1.109 11.706 1.00 0.00 C ATOM 982 OG SER A 470 60.687 -0.176 12.085 1.00 0.00 O ATOM 0 H SER A 470 61.577 3.527 11.718 1.00 0.00 H new ATOM 0 HA SER A 470 59.237 1.828 10.963 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.617 1.064 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 470 61.932 1.444 12.399 1.00 0.00 H new ATOM 0 HG SER A 470 59.839 -0.083 12.567 1.00 0.00 H new ATOM 988 N GLU A 471 59.223 3.254 13.702 1.00 0.00 N ATOM 989 CA GLU A 471 58.552 3.327 15.034 1.00 0.00 C ATOM 990 C GLU A 471 57.070 3.686 14.866 1.00 0.00 C ATOM 991 O GLU A 471 56.413 4.093 15.804 1.00 0.00 O ATOM 992 CB GLU A 471 59.288 4.435 15.788 1.00 0.00 C ATOM 993 CG GLU A 471 58.988 4.323 17.284 1.00 0.00 C ATOM 994 CD GLU A 471 59.590 3.028 17.831 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.805 2.919 17.836 1.00 0.00 O ATOM 996 OE2 GLU A 471 58.827 2.166 18.235 1.00 0.00 O ATOM 0 H GLU A 471 59.601 4.136 13.357 1.00 0.00 H new ATOM 0 HA GLU A 471 58.589 2.376 15.565 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.361 4.356 15.615 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.976 5.411 15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.402 5.181 17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 471 57.911 4.335 17.451 1.00 0.00 H new ATOM 1003 N GLY A 472 56.538 3.538 13.680 1.00 0.00 N ATOM 1004 CA GLY A 472 55.102 3.871 13.458 1.00 0.00 C ATOM 1005 C GLY A 472 54.945 5.385 13.303 1.00 0.00 C ATOM 1006 O GLY A 472 55.904 6.129 13.386 1.00 0.00 O ATOM 0 H GLY A 472 57.037 3.201 12.857 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.734 3.364 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 472 54.502 3.517 14.296 1.00 0.00 H new ATOM 1010 N SER A 473 53.742 5.848 13.078 1.00 0.00 N ATOM 1011 CA SER A 473 53.516 7.317 12.915 1.00 0.00 C ATOM 1012 C SER A 473 54.451 7.887 11.842 1.00 0.00 C ATOM 1013 O SER A 473 54.889 7.182 10.954 1.00 0.00 O ATOM 1014 CB SER A 473 53.832 7.923 14.284 1.00 0.00 C ATOM 1015 OG SER A 473 53.226 7.133 15.298 1.00 0.00 O ATOM 0 H SER A 473 52.904 5.271 13.000 1.00 0.00 H new ATOM 0 HA SER A 473 52.499 7.543 12.596 1.00 0.00 H new ATOM 0 HB2 SER A 473 54.911 7.965 14.436 1.00 0.00 H new ATOM 0 HB3 SER A 473 53.463 8.947 14.335 1.00 0.00 H new ATOM 0 HG SER A 473 53.428 7.517 16.177 1.00 0.00 H new ATOM 1021 N ASN A 474 54.758 9.158 11.920 1.00 0.00 N ATOM 1022 CA ASN A 474 55.665 9.790 10.909 1.00 0.00 C ATOM 1023 C ASN A 474 55.107 9.605 9.494 1.00 0.00 C ATOM 1024 O ASN A 474 55.111 8.518 8.950 1.00 0.00 O ATOM 1025 CB ASN A 474 57.011 9.073 11.057 1.00 0.00 C ATOM 1026 CG ASN A 474 57.521 9.228 12.492 1.00 0.00 C ATOM 1027 OD1 ASN A 474 57.969 8.275 13.095 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.469 10.399 13.067 1.00 0.00 N ATOM 0 H ASN A 474 54.418 9.790 12.645 1.00 0.00 H new ATOM 0 HA ASN A 474 55.762 10.864 11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.901 8.017 10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.735 9.489 10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.805 10.513 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.092 11.200 12.560 1.00 0.00 H new ATOM 1035 N LYS A 475 54.629 10.663 8.896 1.00 0.00 N ATOM 1036 CA LYS A 475 54.068 10.559 7.514 1.00 0.00 C ATOM 1037 C LYS A 475 55.148 10.096 6.529 1.00 0.00 C ATOM 1038 O LYS A 475 55.775 10.893 5.859 1.00 0.00 O ATOM 1039 CB LYS A 475 53.590 11.973 7.161 1.00 0.00 C ATOM 1040 CG LYS A 475 54.722 12.981 7.390 1.00 0.00 C ATOM 1041 CD LYS A 475 54.707 14.031 6.276 1.00 0.00 C ATOM 1042 CE LYS A 475 55.915 14.958 6.434 1.00 0.00 C ATOM 1043 NZ LYS A 475 56.108 15.570 5.090 1.00 0.00 N ATOM 0 H LYS A 475 54.602 11.597 9.304 1.00 0.00 H new ATOM 0 HA LYS A 475 53.258 9.832 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 475 53.266 12.007 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 475 52.727 12.237 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 475 54.602 13.463 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 475 55.683 12.467 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 475 54.734 13.544 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 475 53.784 14.609 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 475 55.732 15.720 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 475 56.800 14.404 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 56.920 16.220 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 56.287 14.822 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 55.252 16.097 4.822 1.00 0.00 H new ATOM 1057 N TYR A 476 55.366 8.811 6.437 1.00 0.00 N ATOM 1058 CA TYR A 476 56.404 8.292 5.496 1.00 0.00 C ATOM 1059 C TYR A 476 56.003 8.592 4.049 1.00 0.00 C ATOM 1060 O TYR A 476 54.881 8.362 3.644 1.00 0.00 O ATOM 1061 CB TYR A 476 56.441 6.781 5.736 1.00 0.00 C ATOM 1062 CG TYR A 476 57.793 6.236 5.337 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.255 6.398 4.025 1.00 0.00 C ATOM 1064 CD2 TYR A 476 58.585 5.568 6.280 1.00 0.00 C ATOM 1065 CE1 TYR A 476 59.508 5.894 3.656 1.00 0.00 C ATOM 1066 CE2 TYR A 476 59.837 5.062 5.909 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.298 5.225 4.597 1.00 0.00 C ATOM 1068 OH TYR A 476 61.533 4.728 4.233 1.00 0.00 O ATOM 0 H TYR A 476 54.871 8.098 6.972 1.00 0.00 H new ATOM 0 HA TYR A 476 57.377 8.755 5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.246 6.565 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 476 55.656 6.292 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.644 6.912 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.230 5.443 7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 476 59.865 6.022 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 476 60.447 4.546 6.635 1.00 0.00 H new ATOM 0 HH TYR A 476 61.951 4.293 5.005 1.00 0.00 H new ATOM 1078 N TYR A 477 56.917 9.102 3.266 1.00 0.00 N ATOM 1079 CA TYR A 477 56.597 9.416 1.844 1.00 0.00 C ATOM 1080 C TYR A 477 57.757 8.991 0.939 1.00 0.00 C ATOM 1081 O TYR A 477 58.901 9.316 1.191 1.00 0.00 O ATOM 1082 CB TYR A 477 56.413 10.933 1.802 1.00 0.00 C ATOM 1083 CG TYR A 477 54.974 11.277 2.107 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.943 10.714 1.347 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.673 12.160 3.151 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.610 11.035 1.631 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.341 12.479 3.436 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.308 11.917 2.675 1.00 0.00 C ATOM 1089 OH TYR A 477 50.994 12.233 2.955 1.00 0.00 O ATOM 0 H TYR A 477 57.873 9.315 3.551 1.00 0.00 H new ATOM 0 HA TYR A 477 55.709 8.890 1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.073 11.410 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.689 11.316 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.175 10.032 0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 477 55.469 12.595 3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.814 10.602 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 477 53.109 13.159 4.243 1.00 0.00 H new ATOM 0 HH TYR A 477 50.961 12.857 3.710 1.00 0.00 H new ATOM 1099 N CYS A 478 57.471 8.269 -0.112 1.00 0.00 N ATOM 1100 CA CYS A 478 58.560 7.827 -1.033 1.00 0.00 C ATOM 1101 C CYS A 478 59.273 9.053 -1.621 1.00 0.00 C ATOM 1102 O CYS A 478 59.134 10.156 -1.129 1.00 0.00 O ATOM 1103 CB CYS A 478 57.854 6.998 -2.122 1.00 0.00 C ATOM 1104 SG CYS A 478 57.177 8.082 -3.404 1.00 0.00 S ATOM 0 H CYS A 478 56.532 7.966 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 478 59.327 7.237 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.559 6.295 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.053 6.408 -1.676 1.00 0.00 H new ATOM 1109 N ASN A 479 60.036 8.872 -2.666 1.00 0.00 N ATOM 1110 CA ASN A 479 60.756 10.030 -3.275 1.00 0.00 C ATOM 1111 C ASN A 479 59.869 10.737 -4.306 1.00 0.00 C ATOM 1112 O ASN A 479 59.894 11.946 -4.432 1.00 0.00 O ATOM 1113 CB ASN A 479 61.983 9.422 -3.955 1.00 0.00 C ATOM 1114 CG ASN A 479 62.884 10.542 -4.478 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.606 11.136 -5.500 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.963 10.857 -3.813 1.00 0.00 N ATOM 0 H ASN A 479 60.192 7.974 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 479 61.027 10.778 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.532 8.799 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.674 8.776 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.572 11.602 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.197 10.358 -2.955 1.00 0.00 H new ATOM 1123 N GLU A 480 59.095 9.993 -5.050 1.00 0.00 N ATOM 1124 CA GLU A 480 58.215 10.621 -6.081 1.00 0.00 C ATOM 1125 C GLU A 480 56.925 11.170 -5.453 1.00 0.00 C ATOM 1126 O GLU A 480 56.056 11.663 -6.146 1.00 0.00 O ATOM 1127 CB GLU A 480 57.892 9.493 -7.062 1.00 0.00 C ATOM 1128 CG GLU A 480 57.926 10.034 -8.493 1.00 0.00 C ATOM 1129 CD GLU A 480 58.497 8.968 -9.430 1.00 0.00 C ATOM 1130 OE1 GLU A 480 58.188 7.805 -9.230 1.00 0.00 O ATOM 1131 OE2 GLU A 480 59.235 9.333 -10.330 1.00 0.00 O ATOM 0 H GLU A 480 59.033 8.977 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 480 58.703 11.467 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.613 8.683 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.909 9.077 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.921 10.312 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.536 10.936 -8.537 1.00 0.00 H new ATOM 1138 N HIS A 481 56.789 11.095 -4.153 1.00 0.00 N ATOM 1139 CA HIS A 481 55.553 11.619 -3.503 1.00 0.00 C ATOM 1140 C HIS A 481 55.913 12.412 -2.244 1.00 0.00 C ATOM 1141 O HIS A 481 55.231 12.343 -1.240 1.00 0.00 O ATOM 1142 CB HIS A 481 54.739 10.377 -3.137 1.00 0.00 C ATOM 1143 CG HIS A 481 54.346 9.644 -4.391 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.451 8.251 -4.507 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.850 10.085 -5.598 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.032 7.911 -5.742 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.664 8.989 -6.417 1.00 0.00 N ATOM 0 H HIS A 481 57.479 10.695 -3.517 1.00 0.00 H new ATOM 0 HA HIS A 481 54.998 12.293 -4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.324 9.724 -2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.849 10.665 -2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.642 11.112 -5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.001 6.902 -6.127 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.307 9.007 -7.372 1.00 0.00 H new ATOM 1155 N VAL A 482 56.980 13.165 -2.289 1.00 0.00 N ATOM 1156 CA VAL A 482 57.385 13.962 -1.092 1.00 0.00 C ATOM 1157 C VAL A 482 57.325 15.458 -1.401 1.00 0.00 C ATOM 1158 O VAL A 482 57.074 16.275 -0.536 1.00 0.00 O ATOM 1159 CB VAL A 482 58.819 13.521 -0.787 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.767 14.011 -1.888 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.256 14.110 0.556 1.00 0.00 C ATOM 0 H VAL A 482 57.589 13.263 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 482 56.723 13.796 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 482 58.855 12.432 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.784 13.692 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.460 13.591 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.732 15.099 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.277 13.797 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.212 15.198 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.591 13.755 1.343 1.00 0.00 H new ATOM 1171 N GLN A 483 57.555 15.814 -2.629 1.00 0.00 N ATOM 1172 CA GLN A 483 57.518 17.257 -3.014 1.00 0.00 C ATOM 1173 C GLN A 483 56.328 17.527 -3.941 1.00 0.00 C ATOM 1174 O GLN A 483 56.416 18.311 -4.865 1.00 0.00 O ATOM 1175 CB GLN A 483 58.840 17.509 -3.745 1.00 0.00 C ATOM 1176 CG GLN A 483 58.955 16.572 -4.951 1.00 0.00 C ATOM 1177 CD GLN A 483 60.061 17.070 -5.882 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.437 18.225 -5.838 1.00 0.00 O ATOM 1179 NE2 GLN A 483 60.605 16.241 -6.731 1.00 0.00 N ATOM 0 H GLN A 483 57.768 15.169 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 483 57.401 17.912 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.892 18.547 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 483 59.678 17.347 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.176 15.558 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.006 16.532 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.291 15.271 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 483 61.344 16.563 -7.356 1.00 0.00 H new ATOM 1188 N ILE A 484 55.218 16.881 -3.701 1.00 0.00 N ATOM 1189 CA ILE A 484 54.023 17.098 -4.567 1.00 0.00 C ATOM 1190 C ILE A 484 53.194 18.278 -4.051 1.00 0.00 C ATOM 1191 O ILE A 484 52.001 18.167 -3.853 1.00 0.00 O ATOM 1192 CB ILE A 484 53.225 15.795 -4.472 1.00 0.00 C ATOM 1193 CG1 ILE A 484 52.855 15.515 -3.009 1.00 0.00 C ATOM 1194 CG2 ILE A 484 54.067 14.638 -5.011 1.00 0.00 C ATOM 1195 CD1 ILE A 484 51.461 14.889 -2.945 1.00 0.00 C ATOM 0 H ILE A 484 55.087 16.212 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 484 54.297 17.335 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 484 52.314 15.891 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 484 53.587 14.844 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 484 52.876 16.441 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 484 53.498 13.711 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 484 54.325 14.830 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 484 54.980 14.547 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 484 51.199 14.690 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 484 50.734 15.576 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 484 51.456 13.954 -3.506 1.00 0.00 H new ATOM 1207 N ALA A 485 53.819 19.408 -3.836 1.00 0.00 N ATOM 1208 CA ALA A 485 53.077 20.608 -3.333 1.00 0.00 C ATOM 1209 C ALA A 485 52.385 20.294 -2.000 1.00 0.00 C ATOM 1210 O ALA A 485 52.902 20.590 -0.941 1.00 0.00 O ATOM 1211 CB ALA A 485 52.048 20.940 -4.421 1.00 0.00 C ATOM 0 H ALA A 485 54.817 19.553 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 485 53.744 21.449 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 485 51.467 21.811 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 485 52.564 21.155 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 485 51.380 20.090 -4.562 1.00 0.00 H new ATOM 1217 N ARG A 486 51.221 19.701 -2.044 1.00 0.00 N ATOM 1218 CA ARG A 486 50.495 19.370 -0.779 1.00 0.00 C ATOM 1219 C ARG A 486 51.399 18.563 0.160 1.00 0.00 C ATOM 1220 O ARG A 486 51.657 17.397 -0.064 1.00 0.00 O ATOM 1221 CB ARG A 486 49.293 18.529 -1.218 1.00 0.00 C ATOM 1222 CG ARG A 486 48.007 19.343 -1.050 1.00 0.00 C ATOM 1223 CD ARG A 486 46.799 18.464 -1.386 1.00 0.00 C ATOM 1224 NE ARG A 486 45.612 19.297 -1.051 1.00 0.00 N ATOM 1225 CZ ARG A 486 45.242 20.260 -1.851 1.00 0.00 C ATOM 1226 NH1 ARG A 486 45.168 20.049 -3.136 1.00 0.00 N ATOM 1227 NH2 ARG A 486 44.945 21.435 -1.365 1.00 0.00 N ATOM 0 H ARG A 486 50.740 19.431 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 486 50.191 20.264 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 486 49.410 18.225 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 486 49.238 17.617 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 486 47.929 19.712 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 486 48.028 20.215 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 486 46.798 18.180 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 486 46.809 17.541 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 486 45.087 19.115 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 486 45.399 19.131 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 486 44.879 20.802 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 486 45.002 21.601 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 486 44.656 22.187 -1.990 1.00 0.00 H new ATOM 1241 N ALA A 487 51.878 19.179 1.210 1.00 0.00 N ATOM 1242 CA ALA A 487 52.766 18.455 2.171 1.00 0.00 C ATOM 1243 C ALA A 487 53.925 17.782 1.429 1.00 0.00 C ATOM 1244 O ALA A 487 54.316 18.295 0.393 1.00 0.00 O ATOM 1245 CB ALA A 487 51.870 17.405 2.832 1.00 0.00 C ATOM 1246 OXT ALA A 487 54.401 16.767 1.910 1.00 0.00 O ATOM 0 H ALA A 487 51.693 20.154 1.445 1.00 0.00 H new ATOM 0 HA ALA A 487 53.211 19.130 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 487 52.453 16.831 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 487 51.045 17.901 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 487 51.473 16.734 2.070 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.644 0.111 -5.421 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.161 6.923 -3.123 1.00 0.00 ZN