USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= -0.128 USER MOD Single : A 426 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.29) USER MOD Single : A 428 THR OG1 : rot -20:sc= 0.112 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ 154:sc= -1.4 (180deg=-2.83!) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 441 THR OG1 : rot 139:sc= -0.496 USER MOD Single : A 443 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl 159:sc= -1.09 (180deg=-1.27) USER MOD Single : A 451 HIS : no HE2:sc= -2.04! C(o=-2!,f=-6.4!) USER MOD Single : A 452 MET CE :methyl 177:sc= -0.928 (180deg=-0.991) USER MOD Single : A 455 THR OG1 : rot -164:sc= 1.1 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 476 MET CE :methyl -163:sc= -0.629 (180deg=-1.16) USER MOD Single : A 479 HIS : no HE2:sc= -10.6! C(o=-10!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 10.211 -12.413 9.882 1.00 0.00 N ATOM 2 CA GLY A -1 11.540 -12.253 10.506 1.00 0.00 C ATOM 3 C GLY A -1 12.204 -10.966 10.095 1.00 0.00 C ATOM 4 O GLY A -1 11.606 -9.893 10.189 1.00 0.00 O ATOM 0 H1 GLY A -1 9.788 -13.312 10.191 1.00 0.00 H new ATOM 0 H2 GLY A -1 9.596 -11.625 10.168 1.00 0.00 H new ATOM 0 H3 GLY A -1 10.312 -12.416 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A -1 11.437 -12.277 11.591 1.00 0.00 H new ATOM 0 HA3 GLY A -1 12.175 -13.094 10.227 1.00 0.00 H new ATOM 10 N SER A 0 13.435 -11.063 9.641 1.00 0.00 N ATOM 11 CA SER A 0 14.177 -9.905 9.195 1.00 0.00 C ATOM 12 C SER A 0 14.613 -10.083 7.741 1.00 0.00 C ATOM 13 O SER A 0 15.285 -11.062 7.399 1.00 0.00 O ATOM 14 CB SER A 0 15.392 -9.686 10.099 1.00 0.00 C ATOM 15 OG SER A 0 15.000 -9.632 11.466 1.00 0.00 O ATOM 0 H SER A 0 13.947 -11.942 9.571 1.00 0.00 H new ATOM 0 HA SER A 0 13.535 -9.026 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 0 16.110 -10.493 9.953 1.00 0.00 H new ATOM 0 HB3 SER A 0 15.894 -8.759 9.823 1.00 0.00 H new ATOM 0 HG SER A 0 15.791 -9.493 12.028 1.00 0.00 H new ATOM 21 N ALA A 417 14.218 -9.151 6.890 1.00 0.00 N ATOM 22 CA ALA A 417 14.557 -9.211 5.480 1.00 0.00 C ATOM 23 C ALA A 417 15.898 -8.544 5.221 1.00 0.00 C ATOM 24 O ALA A 417 15.989 -7.320 5.129 1.00 0.00 O ATOM 25 CB ALA A 417 13.466 -8.568 4.637 1.00 0.00 C ATOM 0 H ALA A 417 13.659 -8.340 7.154 1.00 0.00 H new ATOM 0 HA ALA A 417 14.636 -10.260 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 417 13.740 -8.624 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 417 12.525 -9.095 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 417 13.350 -7.524 4.927 1.00 0.00 H new ATOM 31 N GLU A 418 16.932 -9.352 5.130 1.00 0.00 N ATOM 32 CA GLU A 418 18.272 -8.854 4.896 1.00 0.00 C ATOM 33 C GLU A 418 19.074 -9.886 4.112 1.00 0.00 C ATOM 34 O GLU A 418 18.997 -11.090 4.393 1.00 0.00 O ATOM 35 CB GLU A 418 18.961 -8.552 6.235 1.00 0.00 C ATOM 36 CG GLU A 418 20.277 -7.791 6.110 1.00 0.00 C ATOM 37 CD GLU A 418 20.089 -6.374 5.596 1.00 0.00 C ATOM 38 OE1 GLU A 418 19.762 -5.479 6.411 1.00 0.00 O ATOM 39 OE2 GLU A 418 20.278 -6.146 4.389 1.00 0.00 O ATOM 0 H GLU A 418 16.870 -10.367 5.215 1.00 0.00 H new ATOM 0 HA GLU A 418 18.216 -7.933 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 418 18.279 -7.974 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 418 19.147 -9.492 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 418 20.767 -7.758 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 418 20.942 -8.332 5.437 1.00 0.00 H new ATOM 46 N ALA A 419 19.816 -9.422 3.128 1.00 0.00 N ATOM 47 CA ALA A 419 20.652 -10.282 2.302 1.00 0.00 C ATOM 48 C ALA A 419 21.677 -9.442 1.586 1.00 0.00 C ATOM 49 O ALA A 419 21.718 -8.232 1.769 1.00 0.00 O ATOM 50 CB ALA A 419 19.812 -11.046 1.287 1.00 0.00 C ATOM 0 H ALA A 419 19.860 -8.435 2.874 1.00 0.00 H new ATOM 0 HA ALA A 419 21.151 -11.006 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 419 20.460 -11.681 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 419 19.083 -11.665 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 419 19.291 -10.340 0.641 1.00 0.00 H new ATOM 56 N ARG A 420 22.504 -10.068 0.782 1.00 0.00 N ATOM 57 CA ARG A 420 23.474 -9.333 0.014 1.00 0.00 C ATOM 58 C ARG A 420 22.790 -8.662 -1.166 1.00 0.00 C ATOM 59 O ARG A 420 22.426 -9.318 -2.144 1.00 0.00 O ATOM 60 CB ARG A 420 24.592 -10.242 -0.478 1.00 0.00 C ATOM 61 CG ARG A 420 25.644 -9.496 -1.277 1.00 0.00 C ATOM 62 CD ARG A 420 26.741 -10.405 -1.793 1.00 0.00 C ATOM 63 NE ARG A 420 27.658 -9.665 -2.657 1.00 0.00 N ATOM 64 CZ ARG A 420 28.975 -9.829 -2.694 1.00 0.00 C ATOM 65 NH1 ARG A 420 29.553 -10.797 -1.991 1.00 0.00 N ATOM 66 NH2 ARG A 420 29.714 -9.032 -3.452 1.00 0.00 N ATOM 0 H ARG A 420 22.523 -11.079 0.645 1.00 0.00 H new ATOM 0 HA ARG A 420 23.918 -8.574 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 420 25.065 -10.724 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 420 24.166 -11.033 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 420 25.167 -8.995 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 420 26.085 -8.719 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 420 27.289 -10.834 -0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 420 26.302 -11.236 -2.346 1.00 0.00 H new ATOM 0 HE ARG A 420 27.254 -8.967 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 420 28.984 -11.420 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 420 30.565 -10.917 -2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 420 29.271 -8.297 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 420 30.726 -9.153 -3.484 1.00 0.00 H new ATOM 80 N TRP A 421 22.600 -7.360 -1.066 1.00 0.00 N ATOM 81 CA TRP A 421 21.928 -6.618 -2.111 1.00 0.00 C ATOM 82 C TRP A 421 22.887 -6.313 -3.249 1.00 0.00 C ATOM 83 O TRP A 421 22.468 -6.113 -4.394 1.00 0.00 O ATOM 84 CB TRP A 421 21.304 -5.351 -1.548 1.00 0.00 C ATOM 85 CG TRP A 421 20.456 -5.632 -0.348 1.00 0.00 C ATOM 86 CD1 TRP A 421 20.766 -5.348 0.936 1.00 0.00 C ATOM 87 CD2 TRP A 421 19.182 -6.291 -0.319 1.00 0.00 C ATOM 88 NE1 TRP A 421 19.765 -5.772 1.774 1.00 0.00 N ATOM 89 CE2 TRP A 421 18.780 -6.353 1.030 1.00 0.00 C ATOM 90 CE3 TRP A 421 18.340 -6.827 -1.297 1.00 0.00 C ATOM 91 CZ2 TRP A 421 17.578 -6.930 1.425 1.00 0.00 C ATOM 92 CZ3 TRP A 421 17.147 -7.401 -0.902 1.00 0.00 C ATOM 93 CH2 TRP A 421 16.775 -7.448 0.448 1.00 0.00 C ATOM 0 H TRP A 421 22.902 -6.796 -0.271 1.00 0.00 H new ATOM 0 HA TRP A 421 21.122 -7.231 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 421 22.092 -4.647 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 421 20.698 -4.872 -2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 421 21.673 -4.857 1.257 1.00 0.00 H new ATOM 0 HE1 TRP A 421 19.759 -5.669 2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 421 18.616 -6.793 -2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 17.290 -6.967 2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 16.489 -7.821 -1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 421 15.835 -7.903 0.722 1.00 0.00 H new ATOM 104 N ASP A 422 24.178 -6.277 -2.923 1.00 0.00 N ATOM 105 CA ASP A 422 25.222 -6.112 -3.927 1.00 0.00 C ATOM 106 C ASP A 422 25.309 -7.387 -4.754 1.00 0.00 C ATOM 107 O ASP A 422 25.988 -8.343 -4.380 1.00 0.00 O ATOM 108 CB ASP A 422 26.574 -5.810 -3.255 1.00 0.00 C ATOM 109 CG ASP A 422 27.737 -5.735 -4.239 1.00 0.00 C ATOM 110 OD1 ASP A 422 27.878 -4.703 -4.925 1.00 0.00 O ATOM 111 OD2 ASP A 422 28.533 -6.708 -4.302 1.00 0.00 O ATOM 0 H ASP A 422 24.525 -6.360 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 422 24.978 -5.271 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 422 26.501 -4.864 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 422 26.784 -6.582 -2.515 1.00 0.00 H new ATOM 116 N GLU A 423 24.581 -7.414 -5.847 1.00 0.00 N ATOM 117 CA GLU A 423 24.504 -8.593 -6.678 1.00 0.00 C ATOM 118 C GLU A 423 24.878 -8.264 -8.117 1.00 0.00 C ATOM 119 O GLU A 423 24.826 -7.101 -8.525 1.00 0.00 O ATOM 120 CB GLU A 423 23.083 -9.183 -6.602 1.00 0.00 C ATOM 121 CG GLU A 423 22.931 -10.537 -7.274 1.00 0.00 C ATOM 122 CD GLU A 423 23.952 -11.532 -6.784 1.00 0.00 C ATOM 123 OE1 GLU A 423 25.054 -11.579 -7.357 1.00 0.00 O ATOM 124 OE2 GLU A 423 23.669 -12.260 -5.815 1.00 0.00 O ATOM 0 H GLU A 423 24.029 -6.625 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 423 25.215 -9.334 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 423 22.797 -9.276 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 423 22.386 -8.482 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 423 21.929 -10.924 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 423 23.030 -10.419 -8.353 1.00 0.00 H new ATOM 131 N ALA A 424 25.274 -9.300 -8.868 1.00 0.00 N ATOM 132 CA ALA A 424 25.661 -9.168 -10.272 1.00 0.00 C ATOM 133 C ALA A 424 26.874 -8.259 -10.427 1.00 0.00 C ATOM 134 O ALA A 424 27.008 -7.541 -11.419 1.00 0.00 O ATOM 135 CB ALA A 424 24.485 -8.659 -11.105 1.00 0.00 C ATOM 0 H ALA A 424 25.334 -10.255 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 424 25.941 -10.155 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 424 24.790 -8.567 -12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 424 23.655 -9.362 -11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 424 24.169 -7.685 -10.732 1.00 0.00 H new ATOM 141 N SER A 425 27.770 -8.318 -9.458 1.00 0.00 N ATOM 142 CA SER A 425 28.954 -7.485 -9.477 1.00 0.00 C ATOM 143 C SER A 425 30.024 -8.058 -10.416 1.00 0.00 C ATOM 144 O SER A 425 30.168 -7.598 -11.556 1.00 0.00 O ATOM 145 CB SER A 425 29.509 -7.304 -8.054 1.00 0.00 C ATOM 146 OG SER A 425 30.699 -6.532 -8.055 1.00 0.00 O ATOM 0 H SER A 425 27.698 -8.935 -8.649 1.00 0.00 H new ATOM 0 HA SER A 425 28.671 -6.505 -9.862 1.00 0.00 H new ATOM 0 HB2 SER A 425 28.760 -6.819 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 425 29.708 -8.281 -7.613 1.00 0.00 H new ATOM 0 HG SER A 425 31.026 -6.433 -7.136 1.00 0.00 H new ATOM 152 N ASN A 426 30.757 -9.073 -9.933 1.00 0.00 N ATOM 153 CA ASN A 426 31.849 -9.706 -10.696 1.00 0.00 C ATOM 154 C ASN A 426 32.953 -8.676 -11.009 1.00 0.00 C ATOM 155 O ASN A 426 33.806 -8.889 -11.874 1.00 0.00 O ATOM 156 CB ASN A 426 31.314 -10.346 -12.001 1.00 0.00 C ATOM 157 CG ASN A 426 32.351 -11.203 -12.731 1.00 0.00 C ATOM 158 OD1 ASN A 426 32.366 -11.262 -13.964 1.00 0.00 O ATOM 159 ND2 ASN A 426 33.203 -11.887 -11.985 1.00 0.00 N ATOM 0 H ASN A 426 30.612 -9.478 -9.008 1.00 0.00 H new ATOM 0 HA ASN A 426 32.278 -10.499 -10.083 1.00 0.00 H new ATOM 0 HB2 ASN A 426 30.446 -10.962 -11.765 1.00 0.00 H new ATOM 0 HB3 ASN A 426 30.971 -9.556 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 426 33.900 -12.486 -12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 426 33.163 -11.815 -10.968 1.00 0.00 H new ATOM 166 N VAL A 427 32.947 -7.573 -10.274 1.00 0.00 N ATOM 167 CA VAL A 427 33.918 -6.523 -10.492 1.00 0.00 C ATOM 168 C VAL A 427 35.258 -6.878 -9.857 1.00 0.00 C ATOM 169 O VAL A 427 35.557 -6.482 -8.728 1.00 0.00 O ATOM 170 CB VAL A 427 33.427 -5.148 -9.964 1.00 0.00 C ATOM 171 CG1 VAL A 427 34.417 -4.045 -10.319 1.00 0.00 C ATOM 172 CG2 VAL A 427 32.049 -4.821 -10.520 1.00 0.00 C ATOM 0 H VAL A 427 32.280 -7.387 -9.525 1.00 0.00 H new ATOM 0 HA VAL A 427 34.047 -6.436 -11.571 1.00 0.00 H new ATOM 0 HB VAL A 427 33.357 -5.209 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 427 34.051 -3.091 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 427 35.385 -4.267 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 427 34.524 -3.987 -11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 427 31.723 -3.854 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 427 32.095 -4.785 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 427 31.341 -5.590 -10.212 1.00 0.00 H new ATOM 182 N THR A 428 36.028 -7.680 -10.561 1.00 0.00 N ATOM 183 CA THR A 428 37.359 -8.037 -10.124 1.00 0.00 C ATOM 184 C THR A 428 38.379 -7.258 -10.938 1.00 0.00 C ATOM 185 O THR A 428 39.548 -7.149 -10.568 1.00 0.00 O ATOM 186 CB THR A 428 37.620 -9.562 -10.259 1.00 0.00 C ATOM 187 OG1 THR A 428 38.916 -9.888 -9.741 1.00 0.00 O ATOM 188 CG2 THR A 428 37.525 -10.013 -11.713 1.00 0.00 C ATOM 0 H THR A 428 35.750 -8.101 -11.448 1.00 0.00 H new ATOM 0 HA THR A 428 37.452 -7.783 -9.068 1.00 0.00 H new ATOM 0 HB THR A 428 36.854 -10.084 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 428 39.470 -9.080 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 428 37.713 -11.085 -11.774 1.00 0.00 H new ATOM 0 HG22 THR A 428 36.528 -9.796 -12.097 1.00 0.00 H new ATOM 0 HG23 THR A 428 38.266 -9.480 -12.308 1.00 0.00 H new ATOM 196 N ILE A 429 37.913 -6.709 -12.039 1.00 0.00 N ATOM 197 CA ILE A 429 38.737 -5.916 -12.912 1.00 0.00 C ATOM 198 C ILE A 429 38.579 -4.445 -12.540 1.00 0.00 C ATOM 199 O ILE A 429 37.534 -4.049 -12.008 1.00 0.00 O ATOM 200 CB ILE A 429 38.338 -6.138 -14.402 1.00 0.00 C ATOM 201 CG1 ILE A 429 39.247 -5.339 -15.346 1.00 0.00 C ATOM 202 CG2 ILE A 429 36.869 -5.780 -14.631 1.00 0.00 C ATOM 203 CD1 ILE A 429 38.916 -5.514 -16.813 1.00 0.00 C ATOM 0 H ILE A 429 36.947 -6.803 -12.351 1.00 0.00 H new ATOM 0 HA ILE A 429 39.778 -6.218 -12.794 1.00 0.00 H new ATOM 0 HB ILE A 429 38.471 -7.196 -14.628 1.00 0.00 H new ATOM 0 HG12 ILE A 429 39.178 -4.281 -15.092 1.00 0.00 H new ATOM 0 HG13 ILE A 429 40.281 -5.640 -15.179 1.00 0.00 H new ATOM 0 HG21 ILE A 429 36.614 -5.943 -15.678 1.00 0.00 H new ATOM 0 HG22 ILE A 429 36.239 -6.409 -14.002 1.00 0.00 H new ATOM 0 HG23 ILE A 429 36.706 -4.733 -14.377 1.00 0.00 H new ATOM 0 HD11 ILE A 429 39.602 -4.918 -17.414 1.00 0.00 H new ATOM 0 HD12 ILE A 429 39.014 -6.565 -17.085 1.00 0.00 H new ATOM 0 HD13 ILE A 429 37.893 -5.185 -16.997 1.00 0.00 H new ATOM 215 N LYS A 430 39.604 -3.650 -12.779 1.00 0.00 N ATOM 216 CA LYS A 430 39.532 -2.240 -12.476 1.00 0.00 C ATOM 217 C LYS A 430 38.579 -1.556 -13.440 1.00 0.00 C ATOM 218 O LYS A 430 38.815 -1.526 -14.649 1.00 0.00 O ATOM 219 CB LYS A 430 40.917 -1.595 -12.539 1.00 0.00 C ATOM 220 CG LYS A 430 40.970 -0.174 -12.001 1.00 0.00 C ATOM 221 CD LYS A 430 42.406 0.298 -11.863 1.00 0.00 C ATOM 222 CE LYS A 430 42.489 1.680 -11.241 1.00 0.00 C ATOM 223 NZ LYS A 430 43.891 2.073 -10.964 1.00 0.00 N ATOM 0 H LYS A 430 40.490 -3.957 -13.180 1.00 0.00 H new ATOM 0 HA LYS A 430 39.156 -2.121 -11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 430 41.618 -2.211 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 430 41.257 -1.592 -13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 430 40.426 0.493 -12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 430 40.473 -0.129 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 430 42.964 -0.410 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 430 42.880 0.312 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 430 42.032 2.409 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 430 41.916 1.697 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 43.908 3.022 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 44.319 1.391 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 44.431 2.081 -11.853 1.00 0.00 H new ATOM 237 N VAL A 431 37.494 -1.043 -12.902 1.00 0.00 N ATOM 238 CA VAL A 431 36.485 -0.353 -13.686 1.00 0.00 C ATOM 239 C VAL A 431 37.115 0.820 -14.470 1.00 0.00 C ATOM 240 O VAL A 431 38.038 1.485 -13.979 1.00 0.00 O ATOM 241 CB VAL A 431 35.339 0.136 -12.759 1.00 0.00 C ATOM 242 CG1 VAL A 431 35.872 1.035 -11.666 1.00 0.00 C ATOM 243 CG2 VAL A 431 34.231 0.827 -13.540 1.00 0.00 C ATOM 0 H VAL A 431 37.283 -1.091 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 431 36.063 -1.046 -14.414 1.00 0.00 H new ATOM 0 HB VAL A 431 34.903 -0.747 -12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 431 35.049 1.363 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 431 36.597 0.486 -11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 431 36.355 1.904 -12.113 1.00 0.00 H new ATOM 0 HG21 VAL A 431 33.450 1.153 -12.853 1.00 0.00 H new ATOM 0 HG22 VAL A 431 34.639 1.692 -14.062 1.00 0.00 H new ATOM 0 HG23 VAL A 431 33.809 0.131 -14.265 1.00 0.00 H new ATOM 253 N SER A 432 36.637 1.045 -15.687 1.00 0.00 N ATOM 254 CA SER A 432 37.194 2.076 -16.563 1.00 0.00 C ATOM 255 C SER A 432 36.830 3.489 -16.098 1.00 0.00 C ATOM 256 O SER A 432 37.358 4.473 -16.607 1.00 0.00 O ATOM 257 CB SER A 432 36.718 1.851 -17.995 1.00 0.00 C ATOM 258 OG SER A 432 36.956 0.509 -18.395 1.00 0.00 O ATOM 0 H SER A 432 35.860 0.525 -16.095 1.00 0.00 H new ATOM 0 HA SER A 432 38.280 1.994 -16.521 1.00 0.00 H new ATOM 0 HB2 SER A 432 35.654 2.075 -18.070 1.00 0.00 H new ATOM 0 HB3 SER A 432 37.236 2.534 -18.668 1.00 0.00 H new ATOM 0 HG SER A 432 36.643 0.382 -19.315 1.00 0.00 H new ATOM 264 N THR A 433 35.943 3.580 -15.138 1.00 0.00 N ATOM 265 CA THR A 433 35.539 4.857 -14.610 1.00 0.00 C ATOM 266 C THR A 433 35.751 4.926 -13.103 1.00 0.00 C ATOM 267 O THR A 433 35.272 4.076 -12.354 1.00 0.00 O ATOM 268 CB THR A 433 34.078 5.166 -14.952 1.00 0.00 C ATOM 269 OG1 THR A 433 33.291 3.964 -14.866 1.00 0.00 O ATOM 270 CG2 THR A 433 33.973 5.749 -16.349 1.00 0.00 C ATOM 0 H THR A 433 35.485 2.778 -14.705 1.00 0.00 H new ATOM 0 HA THR A 433 36.169 5.612 -15.081 1.00 0.00 H new ATOM 0 HB THR A 433 33.700 5.897 -14.238 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.358 4.168 -15.084 1.00 0.00 H new ATOM 0 HG21 THR A 433 32.929 5.963 -16.576 1.00 0.00 H new ATOM 0 HG22 THR A 433 34.552 6.671 -16.403 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.363 5.033 -17.072 1.00 0.00 H new ATOM 278 N LYS A 434 36.489 5.930 -12.672 1.00 0.00 N ATOM 279 CA LYS A 434 36.783 6.119 -11.265 1.00 0.00 C ATOM 280 C LYS A 434 36.104 7.395 -10.772 1.00 0.00 C ATOM 281 O LYS A 434 36.099 8.399 -11.470 1.00 0.00 O ATOM 282 CB LYS A 434 38.305 6.204 -11.037 1.00 0.00 C ATOM 283 CG LYS A 434 39.122 5.102 -11.734 1.00 0.00 C ATOM 284 CD LYS A 434 38.643 3.680 -11.390 1.00 0.00 C ATOM 285 CE LYS A 434 39.072 3.217 -9.995 1.00 0.00 C ATOM 286 NZ LYS A 434 38.396 3.957 -8.901 1.00 0.00 N ATOM 0 H LYS A 434 36.900 6.635 -13.284 1.00 0.00 H new ATOM 0 HA LYS A 434 36.401 5.266 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.657 7.175 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.501 6.160 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.067 5.246 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.170 5.203 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 434 37.556 3.644 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.033 2.983 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 434 38.859 2.153 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 434 40.151 3.338 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 38.361 3.362 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 38.924 4.829 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 37.428 4.200 -9.193 1.00 0.00 H new ATOM 300 N PRO A 435 35.506 7.368 -9.578 1.00 0.00 N ATOM 301 CA PRO A 435 34.798 8.525 -9.034 1.00 0.00 C ATOM 302 C PRO A 435 35.730 9.676 -8.670 1.00 0.00 C ATOM 303 O PRO A 435 36.773 9.474 -8.033 1.00 0.00 O ATOM 304 CB PRO A 435 34.126 7.970 -7.773 1.00 0.00 C ATOM 305 CG PRO A 435 34.971 6.816 -7.381 1.00 0.00 C ATOM 306 CD PRO A 435 35.460 6.217 -8.664 1.00 0.00 C ATOM 0 HA PRO A 435 34.104 8.946 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.085 8.719 -6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.100 7.661 -7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 435 35.804 7.136 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 435 34.399 6.090 -6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 435 36.441 5.758 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 435 34.787 5.441 -9.028 1.00 0.00 H new ATOM 314 N CYS A 436 35.356 10.876 -9.095 1.00 0.00 N ATOM 315 CA CYS A 436 36.086 12.079 -8.746 1.00 0.00 C ATOM 316 C CYS A 436 36.068 12.241 -7.232 1.00 0.00 C ATOM 317 O CYS A 436 35.056 11.974 -6.597 1.00 0.00 O ATOM 318 CB CYS A 436 35.430 13.291 -9.440 1.00 0.00 C ATOM 319 SG CYS A 436 36.033 14.938 -8.911 1.00 0.00 S ATOM 0 H CYS A 436 34.542 11.038 -9.688 1.00 0.00 H new ATOM 0 HA CYS A 436 37.121 12.011 -9.080 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.584 13.197 -10.515 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.355 13.246 -9.267 1.00 0.00 H new ATOM 324 N PRO A 437 37.176 12.656 -6.628 1.00 0.00 N ATOM 325 CA PRO A 437 37.247 12.827 -5.179 1.00 0.00 C ATOM 326 C PRO A 437 36.274 13.899 -4.668 1.00 0.00 C ATOM 327 O PRO A 437 36.030 14.009 -3.468 1.00 0.00 O ATOM 328 CB PRO A 437 38.701 13.241 -4.919 1.00 0.00 C ATOM 329 CG PRO A 437 39.226 13.702 -6.236 1.00 0.00 C ATOM 330 CD PRO A 437 38.443 12.982 -7.299 1.00 0.00 C ATOM 0 HA PRO A 437 36.962 11.915 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 437 38.756 14.036 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.285 12.404 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.114 14.781 -6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.290 13.482 -6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.283 13.610 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 437 38.959 12.085 -7.640 1.00 0.00 H new ATOM 338 N LYS A 438 35.707 14.670 -5.587 1.00 0.00 N ATOM 339 CA LYS A 438 34.777 15.728 -5.222 1.00 0.00 C ATOM 340 C LYS A 438 33.366 15.429 -5.714 1.00 0.00 C ATOM 341 O LYS A 438 32.417 15.406 -4.933 1.00 0.00 O ATOM 342 CB LYS A 438 35.242 17.084 -5.770 1.00 0.00 C ATOM 343 CG LYS A 438 36.462 17.669 -5.056 1.00 0.00 C ATOM 344 CD LYS A 438 37.752 16.996 -5.484 1.00 0.00 C ATOM 345 CE LYS A 438 38.896 17.291 -4.517 1.00 0.00 C ATOM 346 NZ LYS A 438 39.157 18.747 -4.359 1.00 0.00 N ATOM 0 H LYS A 438 35.875 14.582 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 438 34.758 15.774 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.474 16.974 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.418 17.794 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.525 18.737 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 438 36.337 17.560 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.597 15.919 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 438 38.025 17.336 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.662 16.861 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 438 39.802 16.801 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 39.943 18.889 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 39.408 19.157 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 38.303 19.215 -3.993 1.00 0.00 H new ATOM 360 N CYS A 439 33.236 15.195 -7.008 1.00 0.00 N ATOM 361 CA CYS A 439 31.933 14.944 -7.613 1.00 0.00 C ATOM 362 C CYS A 439 31.538 13.484 -7.486 1.00 0.00 C ATOM 363 O CYS A 439 30.349 13.150 -7.503 1.00 0.00 O ATOM 364 CB CYS A 439 31.976 15.312 -9.088 1.00 0.00 C ATOM 365 SG CYS A 439 32.921 16.814 -9.447 1.00 0.00 S ATOM 0 H CYS A 439 34.017 15.173 -7.664 1.00 0.00 H new ATOM 0 HA CYS A 439 31.197 15.553 -7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 439 32.408 14.482 -9.646 1.00 0.00 H new ATOM 0 HB3 CYS A 439 30.956 15.442 -9.449 1.00 0.00 H new ATOM 370 N ARG A 440 32.541 12.628 -7.372 1.00 0.00 N ATOM 371 CA ARG A 440 32.343 11.177 -7.351 1.00 0.00 C ATOM 372 C ARG A 440 31.708 10.705 -8.651 1.00 0.00 C ATOM 373 O ARG A 440 31.057 9.663 -8.703 1.00 0.00 O ATOM 374 CB ARG A 440 31.531 10.711 -6.129 1.00 0.00 C ATOM 375 CG ARG A 440 32.376 10.475 -4.881 1.00 0.00 C ATOM 376 CD ARG A 440 32.814 11.776 -4.225 1.00 0.00 C ATOM 377 NE ARG A 440 31.708 12.431 -3.538 1.00 0.00 N ATOM 378 CZ ARG A 440 31.844 13.351 -2.583 1.00 0.00 C ATOM 379 NH1 ARG A 440 33.054 13.765 -2.210 1.00 0.00 N ATOM 380 NH2 ARG A 440 30.768 13.861 -2.005 1.00 0.00 N ATOM 0 H ARG A 440 33.517 12.914 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 440 33.327 10.718 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 440 30.769 11.458 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.008 9.789 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 440 31.805 9.884 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.257 9.890 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 440 33.615 11.574 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 440 33.221 12.447 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 440 30.761 12.166 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 440 33.886 13.378 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 440 33.149 14.469 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 440 29.840 13.550 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 440 30.867 14.565 -1.274 1.00 0.00 H new ATOM 394 N THR A 441 31.930 11.478 -9.702 1.00 0.00 N ATOM 395 CA THR A 441 31.428 11.169 -11.017 1.00 0.00 C ATOM 396 C THR A 441 32.306 10.120 -11.690 1.00 0.00 C ATOM 397 O THR A 441 33.490 9.996 -11.362 1.00 0.00 O ATOM 398 CB THR A 441 31.393 12.436 -11.882 1.00 0.00 C ATOM 399 OG1 THR A 441 32.555 13.237 -11.595 1.00 0.00 O ATOM 400 CG2 THR A 441 30.136 13.243 -11.603 1.00 0.00 C ATOM 0 H THR A 441 32.469 12.343 -9.658 1.00 0.00 H new ATOM 0 HA THR A 441 30.417 10.774 -10.913 1.00 0.00 H new ATOM 0 HB THR A 441 31.390 12.146 -12.933 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.914 13.603 -12.430 1.00 0.00 H new ATOM 0 HG21 THR A 441 30.132 14.137 -12.227 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.258 12.638 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.116 13.534 -10.553 1.00 0.00 H new ATOM 408 N PRO A 442 31.743 9.355 -12.633 1.00 0.00 N ATOM 409 CA PRO A 442 32.479 8.311 -13.340 1.00 0.00 C ATOM 410 C PRO A 442 33.534 8.885 -14.289 1.00 0.00 C ATOM 411 O PRO A 442 33.249 9.189 -15.452 1.00 0.00 O ATOM 412 CB PRO A 442 31.391 7.578 -14.127 1.00 0.00 C ATOM 413 CG PRO A 442 30.324 8.600 -14.320 1.00 0.00 C ATOM 414 CD PRO A 442 30.341 9.446 -13.086 1.00 0.00 C ATOM 0 HA PRO A 442 33.033 7.668 -12.656 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.769 7.212 -15.082 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.018 6.713 -13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.515 9.201 -15.209 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.351 8.128 -14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.053 10.475 -13.300 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.649 9.071 -12.332 1.00 0.00 H new ATOM 422 N THR A 443 34.733 9.058 -13.779 1.00 0.00 N ATOM 423 CA THR A 443 35.826 9.583 -14.559 1.00 0.00 C ATOM 424 C THR A 443 36.484 8.475 -15.363 1.00 0.00 C ATOM 425 O THR A 443 37.044 7.538 -14.794 1.00 0.00 O ATOM 426 CB THR A 443 36.878 10.242 -13.646 1.00 0.00 C ATOM 427 OG1 THR A 443 36.274 11.316 -12.915 1.00 0.00 O ATOM 428 CG2 THR A 443 38.049 10.770 -14.452 1.00 0.00 C ATOM 0 H THR A 443 34.975 8.838 -12.813 1.00 0.00 H new ATOM 0 HA THR A 443 35.423 10.333 -15.239 1.00 0.00 H new ATOM 0 HB THR A 443 37.252 9.487 -12.955 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.944 11.733 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.775 11.229 -13.781 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.521 9.948 -14.989 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.694 11.513 -15.166 1.00 0.00 H new ATOM 436 N GLU A 444 36.397 8.573 -16.680 1.00 0.00 N ATOM 437 CA GLU A 444 37.017 7.593 -17.548 1.00 0.00 C ATOM 438 C GLU A 444 38.520 7.648 -17.396 1.00 0.00 C ATOM 439 O GLU A 444 39.155 8.647 -17.755 1.00 0.00 O ATOM 440 CB GLU A 444 36.654 7.834 -19.010 1.00 0.00 C ATOM 441 CG GLU A 444 35.174 7.733 -19.322 1.00 0.00 C ATOM 442 CD GLU A 444 34.908 7.845 -20.803 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.332 8.845 -21.411 1.00 0.00 O ATOM 444 OE2 GLU A 444 34.299 6.918 -21.377 1.00 0.00 O ATOM 0 H GLU A 444 35.903 9.321 -17.168 1.00 0.00 H new ATOM 0 HA GLU A 444 36.647 6.610 -17.256 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.005 8.825 -19.298 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.191 7.113 -19.627 1.00 0.00 H new ATOM 0 HG2 GLU A 444 34.788 6.782 -18.954 1.00 0.00 H new ATOM 0 HG3 GLU A 444 34.636 8.521 -18.795 1.00 0.00 H new ATOM 451 N ARG A 445 39.085 6.593 -16.849 1.00 0.00 N ATOM 452 CA ARG A 445 40.516 6.516 -16.678 1.00 0.00 C ATOM 453 C ARG A 445 41.185 6.310 -18.031 1.00 0.00 C ATOM 454 O ARG A 445 41.249 5.197 -18.554 1.00 0.00 O ATOM 455 CB ARG A 445 40.903 5.415 -15.680 1.00 0.00 C ATOM 456 CG ARG A 445 40.375 4.034 -16.018 1.00 0.00 C ATOM 457 CD ARG A 445 41.033 2.979 -15.160 1.00 0.00 C ATOM 458 NE ARG A 445 40.504 1.638 -15.428 1.00 0.00 N ATOM 459 CZ ARG A 445 41.111 0.727 -16.201 1.00 0.00 C ATOM 460 NH1 ARG A 445 42.240 1.028 -16.828 1.00 0.00 N ATOM 461 NH2 ARG A 445 40.582 -0.477 -16.351 1.00 0.00 N ATOM 0 H ARG A 445 38.572 5.777 -16.515 1.00 0.00 H new ATOM 0 HA ARG A 445 40.870 7.457 -16.258 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.990 5.367 -15.617 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.539 5.696 -14.692 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.295 4.007 -15.870 1.00 0.00 H new ATOM 0 HG3 ARG A 445 40.558 3.818 -17.071 1.00 0.00 H new ATOM 0 HD2 ARG A 445 42.108 2.986 -15.339 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.883 3.223 -14.108 1.00 0.00 H new ATOM 0 HE ARG A 445 39.615 1.382 -14.998 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.650 1.956 -16.723 1.00 0.00 H new ATOM 0 HH12 ARG A 445 42.699 0.331 -17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 445 39.710 -0.714 -15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 445 41.046 -1.168 -16.940 1.00 0.00 H new ATOM 475 N ASP A 446 41.649 7.391 -18.597 1.00 0.00 N ATOM 476 CA ASP A 446 42.239 7.372 -19.922 1.00 0.00 C ATOM 477 C ASP A 446 43.437 8.294 -19.982 1.00 0.00 C ATOM 478 O ASP A 446 43.302 9.512 -19.834 1.00 0.00 O ATOM 479 CB ASP A 446 41.192 7.800 -20.954 1.00 0.00 C ATOM 480 CG ASP A 446 41.719 7.819 -22.373 1.00 0.00 C ATOM 481 OD1 ASP A 446 41.897 6.729 -22.963 1.00 0.00 O ATOM 482 OD2 ASP A 446 41.932 8.922 -22.916 1.00 0.00 O ATOM 0 H ASP A 446 41.632 8.312 -18.159 1.00 0.00 H new ATOM 0 HA ASP A 446 42.574 6.359 -20.146 1.00 0.00 H new ATOM 0 HB2 ASP A 446 40.341 7.122 -20.900 1.00 0.00 H new ATOM 0 HB3 ASP A 446 40.825 8.794 -20.697 1.00 0.00 H new ATOM 487 N GLY A 447 44.606 7.721 -20.183 1.00 0.00 N ATOM 488 CA GLY A 447 45.806 8.518 -20.264 1.00 0.00 C ATOM 489 C GLY A 447 47.045 7.734 -19.900 1.00 0.00 C ATOM 490 O GLY A 447 47.272 7.425 -18.726 1.00 0.00 O ATOM 0 H GLY A 447 44.747 6.717 -20.292 1.00 0.00 H new ATOM 0 HA2 GLY A 447 45.911 8.909 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.714 9.376 -19.599 1.00 0.00 H new ATOM 494 N GLY A 448 47.854 7.420 -20.904 1.00 0.00 N ATOM 495 CA GLY A 448 49.081 6.673 -20.682 1.00 0.00 C ATOM 496 C GLY A 448 50.090 7.455 -19.866 1.00 0.00 C ATOM 497 O GLY A 448 50.971 6.873 -19.223 1.00 0.00 O ATOM 0 H GLY A 448 47.681 7.671 -21.877 1.00 0.00 H new ATOM 0 HA2 GLY A 448 48.848 5.739 -20.170 1.00 0.00 H new ATOM 0 HA3 GLY A 448 49.521 6.408 -21.643 1.00 0.00 H new ATOM 501 N CYS A 449 49.950 8.780 -19.872 1.00 0.00 N ATOM 502 CA CYS A 449 50.836 9.651 -19.111 1.00 0.00 C ATOM 503 C CYS A 449 50.453 9.664 -17.634 1.00 0.00 C ATOM 504 O CYS A 449 50.939 10.486 -16.877 1.00 0.00 O ATOM 505 CB CYS A 449 50.807 11.068 -19.664 1.00 0.00 C ATOM 506 SG CYS A 449 51.198 11.180 -21.427 1.00 0.00 S ATOM 0 H CYS A 449 49.228 9.272 -20.398 1.00 0.00 H new ATOM 0 HA CYS A 449 51.848 9.257 -19.206 1.00 0.00 H new ATOM 0 HB2 CYS A 449 49.818 11.493 -19.494 1.00 0.00 H new ATOM 0 HB3 CYS A 449 51.516 11.679 -19.106 1.00 0.00 H new ATOM 0 HG CYS A 449 51.146 12.423 -21.805 1.00 0.00 H new ATOM 512 N MET A 450 49.540 8.766 -17.257 1.00 0.00 N ATOM 513 CA MET A 450 49.139 8.572 -15.864 1.00 0.00 C ATOM 514 C MET A 450 48.490 9.845 -15.263 1.00 0.00 C ATOM 515 O MET A 450 48.530 10.076 -14.052 1.00 0.00 O ATOM 516 CB MET A 450 50.356 8.096 -15.040 1.00 0.00 C ATOM 517 CG MET A 450 49.997 7.443 -13.724 1.00 0.00 C ATOM 518 SD MET A 450 51.381 6.607 -12.936 1.00 0.00 S ATOM 519 CE MET A 450 52.269 7.998 -12.266 1.00 0.00 C ATOM 0 H MET A 450 49.057 8.151 -17.912 1.00 0.00 H new ATOM 0 HA MET A 450 48.370 7.800 -15.826 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.932 7.390 -15.638 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.004 8.950 -14.844 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.607 8.202 -13.045 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.196 6.723 -13.891 1.00 0.00 H new ATOM 0 HE1 MET A 450 52.918 7.660 -11.458 1.00 0.00 H new ATOM 0 HE2 MET A 450 52.874 8.455 -13.049 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.560 8.731 -11.881 1.00 0.00 H new ATOM 529 N HIS A 451 47.882 10.643 -16.125 1.00 0.00 N ATOM 530 CA HIS A 451 47.163 11.844 -15.703 1.00 0.00 C ATOM 531 C HIS A 451 45.667 11.654 -15.984 1.00 0.00 C ATOM 532 O HIS A 451 45.282 11.368 -17.117 1.00 0.00 O ATOM 533 CB HIS A 451 47.706 13.067 -16.467 1.00 0.00 C ATOM 534 CG HIS A 451 47.188 14.397 -15.991 1.00 0.00 C ATOM 535 ND1 HIS A 451 48.008 15.302 -15.365 1.00 0.00 N ATOM 536 CD2 HIS A 451 45.951 14.934 -16.109 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.258 16.362 -15.123 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.006 16.188 -15.558 1.00 0.00 N ATOM 0 H HIS A 451 47.870 10.482 -17.132 1.00 0.00 H new ATOM 0 HA HIS A 451 47.308 12.011 -14.636 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.793 13.070 -16.392 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.460 12.955 -17.523 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.994 15.181 -15.134 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.086 14.464 -16.553 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.612 17.258 -14.635 1.00 0.00 H new ATOM 546 N MET A 452 44.827 11.786 -14.957 1.00 0.00 N ATOM 547 CA MET A 452 43.390 11.590 -15.134 1.00 0.00 C ATOM 548 C MET A 452 42.635 12.912 -15.024 1.00 0.00 C ATOM 549 O MET A 452 43.003 13.790 -14.244 1.00 0.00 O ATOM 550 CB MET A 452 42.842 10.587 -14.113 1.00 0.00 C ATOM 551 CG MET A 452 41.887 9.571 -14.722 1.00 0.00 C ATOM 552 SD MET A 452 41.013 8.572 -13.497 1.00 0.00 S ATOM 553 CE MET A 452 42.376 7.821 -12.615 1.00 0.00 C ATOM 0 H MET A 452 45.112 12.024 -14.007 1.00 0.00 H new ATOM 0 HA MET A 452 43.237 11.187 -16.135 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.675 10.060 -13.649 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.327 11.130 -13.321 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.157 10.096 -15.338 1.00 0.00 H new ATOM 0 HG3 MET A 452 42.447 8.911 -15.384 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.990 7.218 -11.794 1.00 0.00 H new ATOM 0 HE2 MET A 452 42.944 7.186 -13.295 1.00 0.00 H new ATOM 0 HE3 MET A 452 43.026 8.601 -12.218 1.00 0.00 H new ATOM 563 N VAL A 453 41.576 13.048 -15.810 1.00 0.00 N ATOM 564 CA VAL A 453 40.775 14.264 -15.821 1.00 0.00 C ATOM 565 C VAL A 453 39.309 13.940 -15.557 1.00 0.00 C ATOM 566 O VAL A 453 38.734 13.088 -16.242 1.00 0.00 O ATOM 567 CB VAL A 453 40.873 14.989 -17.189 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.101 16.300 -17.166 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.326 15.219 -17.584 1.00 0.00 C ATOM 0 H VAL A 453 41.250 12.326 -16.452 1.00 0.00 H new ATOM 0 HA VAL A 453 41.165 14.913 -15.037 1.00 0.00 H new ATOM 0 HB VAL A 453 40.420 14.345 -17.942 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.185 16.789 -18.137 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.051 16.100 -16.950 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.513 16.951 -16.395 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.365 15.729 -18.547 1.00 0.00 H new ATOM 0 HG22 VAL A 453 42.816 15.833 -16.828 1.00 0.00 H new ATOM 0 HG23 VAL A 453 42.839 14.260 -17.660 1.00 0.00 H new ATOM 579 N CYS A 454 38.713 14.618 -14.567 1.00 0.00 N ATOM 580 CA CYS A 454 37.298 14.433 -14.225 1.00 0.00 C ATOM 581 C CYS A 454 36.437 14.642 -15.456 1.00 0.00 C ATOM 582 O CYS A 454 36.650 15.585 -16.227 1.00 0.00 O ATOM 583 CB CYS A 454 36.880 15.411 -13.109 1.00 0.00 C ATOM 584 SG CYS A 454 35.153 15.234 -12.525 1.00 0.00 S ATOM 0 H CYS A 454 39.194 15.304 -13.986 1.00 0.00 H new ATOM 0 HA CYS A 454 37.156 13.415 -13.862 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.550 15.276 -12.260 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.023 16.430 -13.468 1.00 0.00 H new ATOM 589 N THR A 455 35.478 13.775 -15.637 1.00 0.00 N ATOM 590 CA THR A 455 34.626 13.815 -16.798 1.00 0.00 C ATOM 591 C THR A 455 33.494 14.823 -16.655 1.00 0.00 C ATOM 592 O THR A 455 32.716 15.024 -17.585 1.00 0.00 O ATOM 593 CB THR A 455 34.059 12.427 -17.087 1.00 0.00 C ATOM 594 OG1 THR A 455 33.617 11.830 -15.856 1.00 0.00 O ATOM 595 CG2 THR A 455 35.125 11.553 -17.726 1.00 0.00 C ATOM 0 H THR A 455 35.264 13.020 -14.985 1.00 0.00 H new ATOM 0 HA THR A 455 35.243 14.139 -17.636 1.00 0.00 H new ATOM 0 HB THR A 455 33.217 12.517 -17.774 1.00 0.00 H new ATOM 0 HG1 THR A 455 33.485 10.868 -15.988 1.00 0.00 H new ATOM 0 HG21 THR A 455 34.712 10.565 -17.929 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.456 12.007 -18.660 1.00 0.00 H new ATOM 0 HG23 THR A 455 35.973 11.459 -17.048 1.00 0.00 H new ATOM 603 N ARG A 456 33.408 15.458 -15.503 1.00 0.00 N ATOM 604 CA ARG A 456 32.382 16.449 -15.273 1.00 0.00 C ATOM 605 C ARG A 456 32.811 17.786 -15.874 1.00 0.00 C ATOM 606 O ARG A 456 33.855 18.334 -15.511 1.00 0.00 O ATOM 607 CB ARG A 456 32.108 16.579 -13.775 1.00 0.00 C ATOM 608 CG ARG A 456 31.041 17.597 -13.414 1.00 0.00 C ATOM 609 CD ARG A 456 30.763 17.579 -11.924 1.00 0.00 C ATOM 610 NE ARG A 456 29.824 18.620 -11.519 1.00 0.00 N ATOM 611 CZ ARG A 456 29.748 19.116 -10.280 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.545 18.651 -9.321 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.874 20.071 -10.001 1.00 0.00 N ATOM 0 H ARG A 456 34.036 15.304 -14.714 1.00 0.00 H new ATOM 0 HA ARG A 456 31.458 16.136 -15.760 1.00 0.00 H new ATOM 0 HB2 ARG A 456 31.808 15.605 -13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 456 33.036 16.850 -13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 456 31.365 18.593 -13.716 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.124 17.380 -13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.363 16.604 -11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.699 17.707 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 456 29.187 18.992 -12.224 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.217 17.913 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.483 19.033 -8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 456 28.258 20.428 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.816 20.449 -9.055 1.00 0.00 H new ATOM 627 N ALA A 457 32.007 18.297 -16.802 1.00 0.00 N ATOM 628 CA ALA A 457 32.309 19.552 -17.492 1.00 0.00 C ATOM 629 C ALA A 457 32.347 20.726 -16.521 1.00 0.00 C ATOM 630 O ALA A 457 33.134 21.657 -16.685 1.00 0.00 O ATOM 631 CB ALA A 457 31.297 19.808 -18.598 1.00 0.00 C ATOM 0 H ALA A 457 31.134 17.859 -17.097 1.00 0.00 H new ATOM 0 HA ALA A 457 33.299 19.457 -17.938 1.00 0.00 H new ATOM 0 HB1 ALA A 457 31.537 20.745 -19.101 1.00 0.00 H new ATOM 0 HB2 ALA A 457 31.331 18.991 -19.319 1.00 0.00 H new ATOM 0 HB3 ALA A 457 30.297 19.872 -18.169 1.00 0.00 H new ATOM 637 N GLY A 458 31.500 20.670 -15.507 1.00 0.00 N ATOM 638 CA GLY A 458 31.466 21.719 -14.506 1.00 0.00 C ATOM 639 C GLY A 458 32.545 21.542 -13.453 1.00 0.00 C ATOM 640 O GLY A 458 32.549 22.232 -12.431 1.00 0.00 O ATOM 0 H GLY A 458 30.832 19.914 -15.357 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.590 22.687 -14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.488 21.727 -14.024 1.00 0.00 H new ATOM 644 N CYS A 459 33.457 20.615 -13.705 1.00 0.00 N ATOM 645 CA CYS A 459 34.540 20.342 -12.789 1.00 0.00 C ATOM 646 C CYS A 459 35.877 20.583 -13.476 1.00 0.00 C ATOM 647 O CYS A 459 36.602 21.520 -13.132 1.00 0.00 O ATOM 648 CB CYS A 459 34.457 18.896 -12.291 1.00 0.00 C ATOM 649 SG CYS A 459 35.553 18.515 -10.893 1.00 0.00 S ATOM 0 H CYS A 459 33.463 20.038 -14.546 1.00 0.00 H new ATOM 0 HA CYS A 459 34.456 21.013 -11.934 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.429 18.685 -11.998 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.697 18.226 -13.117 1.00 0.00 H new ATOM 654 N GLY A 460 36.191 19.742 -14.463 1.00 0.00 N ATOM 655 CA GLY A 460 37.465 19.852 -15.163 1.00 0.00 C ATOM 656 C GLY A 460 38.629 19.576 -14.235 1.00 0.00 C ATOM 657 O GLY A 460 39.744 20.039 -14.459 1.00 0.00 O ATOM 0 H GLY A 460 35.587 18.988 -14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.487 19.149 -15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.564 20.851 -15.587 1.00 0.00 H new ATOM 661 N PHE A 461 38.352 18.821 -13.196 1.00 0.00 N ATOM 662 CA PHE A 461 39.320 18.496 -12.169 1.00 0.00 C ATOM 663 C PHE A 461 40.372 17.528 -12.687 1.00 0.00 C ATOM 664 O PHE A 461 40.051 16.462 -13.191 1.00 0.00 O ATOM 665 CB PHE A 461 38.581 17.890 -10.987 1.00 0.00 C ATOM 666 CG PHE A 461 39.407 17.628 -9.784 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.990 18.663 -9.087 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.573 16.342 -9.331 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.725 18.412 -7.955 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.308 16.085 -8.207 1.00 0.00 C ATOM 671 CZ PHE A 461 40.884 17.115 -7.518 1.00 0.00 C ATOM 0 H PHE A 461 37.433 18.408 -13.037 1.00 0.00 H new ATOM 0 HA PHE A 461 39.839 19.405 -11.864 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.767 18.559 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.128 16.952 -11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.868 19.679 -9.433 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.117 15.524 -9.869 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.177 19.227 -7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 461 40.433 15.069 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.464 16.912 -6.630 1.00 0.00 H new ATOM 681 N GLU A 462 41.623 17.906 -12.564 1.00 0.00 N ATOM 682 CA GLU A 462 42.710 17.057 -12.999 1.00 0.00 C ATOM 683 C GLU A 462 43.448 16.501 -11.802 1.00 0.00 C ATOM 684 O GLU A 462 44.107 17.237 -11.072 1.00 0.00 O ATOM 685 CB GLU A 462 43.662 17.825 -13.903 1.00 0.00 C ATOM 686 CG GLU A 462 43.030 18.277 -15.205 1.00 0.00 C ATOM 687 CD GLU A 462 43.974 19.094 -16.046 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.986 18.540 -16.521 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.717 20.301 -16.219 1.00 0.00 O ATOM 0 H GLU A 462 41.915 18.798 -12.165 1.00 0.00 H new ATOM 0 HA GLU A 462 42.295 16.227 -13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.034 18.698 -13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.524 17.197 -14.126 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.706 17.404 -15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.138 18.865 -14.988 1.00 0.00 H new ATOM 696 N TRP A 463 43.325 15.213 -11.597 1.00 0.00 N ATOM 697 CA TRP A 463 43.958 14.555 -10.478 1.00 0.00 C ATOM 698 C TRP A 463 44.918 13.485 -10.953 1.00 0.00 C ATOM 699 O TRP A 463 44.689 12.836 -11.982 1.00 0.00 O ATOM 700 CB TRP A 463 42.917 13.982 -9.495 1.00 0.00 C ATOM 701 CG TRP A 463 41.745 13.260 -10.126 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.772 13.802 -10.921 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.399 11.877 -9.970 1.00 0.00 C ATOM 704 NE1 TRP A 463 39.853 12.849 -11.270 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.212 11.658 -10.702 1.00 0.00 C ATOM 706 CE3 TRP A 463 41.977 10.800 -9.289 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.595 10.416 -10.765 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.361 9.567 -9.356 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.179 9.385 -10.087 1.00 0.00 C ATOM 0 H TRP A 463 42.785 14.591 -12.199 1.00 0.00 H new ATOM 0 HA TRP A 463 44.535 15.304 -9.935 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.423 13.293 -8.819 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.531 14.800 -8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.734 14.836 -11.230 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.034 13.002 -11.858 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.887 10.931 -8.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.686 10.271 -11.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.797 8.727 -8.836 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.720 8.408 -10.114 1.00 0.00 H new ATOM 720 N CYS A 464 46.004 13.314 -10.221 1.00 0.00 N ATOM 721 CA CYS A 464 47.004 12.350 -10.592 1.00 0.00 C ATOM 722 C CYS A 464 46.541 10.917 -10.317 1.00 0.00 C ATOM 723 O CYS A 464 46.028 10.608 -9.254 1.00 0.00 O ATOM 724 CB CYS A 464 48.344 12.669 -9.934 1.00 0.00 C ATOM 725 SG CYS A 464 48.241 13.274 -8.221 1.00 0.00 S ATOM 0 H CYS A 464 46.209 13.834 -9.368 1.00 0.00 H new ATOM 0 HA CYS A 464 47.153 12.420 -11.669 1.00 0.00 H new ATOM 0 HB2 CYS A 464 48.961 11.770 -9.949 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.857 13.418 -10.537 1.00 0.00 H new ATOM 730 N TRP A 465 46.763 10.075 -11.305 1.00 0.00 N ATOM 731 CA TRP A 465 46.336 8.665 -11.341 1.00 0.00 C ATOM 732 C TRP A 465 46.599 7.895 -10.030 1.00 0.00 C ATOM 733 O TRP A 465 45.705 7.216 -9.518 1.00 0.00 O ATOM 734 CB TRP A 465 47.087 8.008 -12.478 1.00 0.00 C ATOM 735 CG TRP A 465 46.663 6.636 -12.861 1.00 0.00 C ATOM 736 CD1 TRP A 465 47.072 5.467 -12.297 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.800 6.289 -13.941 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.486 4.406 -12.945 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.700 4.889 -13.961 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.089 7.034 -14.887 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.920 4.216 -14.897 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.318 6.365 -15.812 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.238 4.968 -15.812 1.00 0.00 C ATOM 0 H TRP A 465 47.266 10.353 -12.148 1.00 0.00 H new ATOM 0 HA TRP A 465 45.255 8.639 -11.479 1.00 0.00 H new ATOM 0 HB2 TRP A 465 47.000 8.647 -13.356 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.144 7.975 -12.212 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.755 5.385 -11.464 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.614 3.422 -12.710 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.143 8.113 -14.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.856 3.138 -14.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.766 6.928 -16.550 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.624 4.474 -16.551 1.00 0.00 H new ATOM 754 N VAL A 466 47.828 7.972 -9.522 1.00 0.00 N ATOM 755 CA VAL A 466 48.207 7.225 -8.311 1.00 0.00 C ATOM 756 C VAL A 466 47.454 7.729 -7.074 1.00 0.00 C ATOM 757 O VAL A 466 46.980 6.928 -6.261 1.00 0.00 O ATOM 758 CB VAL A 466 49.731 7.290 -8.040 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.129 6.340 -6.919 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.522 6.999 -9.304 1.00 0.00 C ATOM 0 H VAL A 466 48.577 8.537 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 466 47.929 6.188 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 466 49.969 8.304 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.204 6.406 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.601 6.613 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.868 5.319 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.589 7.051 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.274 6.001 -9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.271 7.735 -10.068 1.00 0.00 H new ATOM 770 N CYS A 467 47.345 9.046 -6.944 1.00 0.00 N ATOM 771 CA CYS A 467 46.654 9.645 -5.812 1.00 0.00 C ATOM 772 C CYS A 467 45.142 9.499 -5.974 1.00 0.00 C ATOM 773 O CYS A 467 44.660 8.967 -6.974 1.00 0.00 O ATOM 774 CB CYS A 467 47.030 11.135 -5.675 1.00 0.00 C ATOM 775 SG CYS A 467 48.784 11.457 -5.245 1.00 0.00 S ATOM 0 H CYS A 467 47.727 9.718 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 467 46.963 9.123 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 467 46.804 11.639 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 467 46.396 11.585 -4.911 1.00 0.00 H new ATOM 780 N GLN A 468 44.404 9.948 -4.989 1.00 0.00 N ATOM 781 CA GLN A 468 42.957 9.902 -5.053 1.00 0.00 C ATOM 782 C GLN A 468 42.392 11.218 -4.534 1.00 0.00 C ATOM 783 O GLN A 468 41.235 11.311 -4.119 1.00 0.00 O ATOM 784 CB GLN A 468 42.422 8.710 -4.250 1.00 0.00 C ATOM 785 CG GLN A 468 41.015 8.282 -4.649 1.00 0.00 C ATOM 786 CD GLN A 468 40.561 7.019 -3.946 1.00 0.00 C ATOM 787 OE1 GLN A 468 40.961 6.742 -2.815 1.00 0.00 O ATOM 788 NE2 GLN A 468 39.727 6.241 -4.608 1.00 0.00 N ATOM 0 H GLN A 468 44.779 10.351 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 468 42.640 9.767 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 468 43.099 7.865 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 468 42.427 8.966 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 468 40.318 9.088 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 468 40.981 8.124 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 468 39.418 6.504 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 468 39.391 5.376 -4.184 1.00 0.00 H new ATOM 797 N THR A 469 43.228 12.231 -4.577 1.00 0.00 N ATOM 798 CA THR A 469 42.877 13.560 -4.139 1.00 0.00 C ATOM 799 C THR A 469 43.286 14.566 -5.210 1.00 0.00 C ATOM 800 O THR A 469 43.592 14.175 -6.334 1.00 0.00 O ATOM 801 CB THR A 469 43.582 13.901 -2.803 1.00 0.00 C ATOM 802 OG1 THR A 469 44.983 13.601 -2.898 1.00 0.00 O ATOM 803 CG2 THR A 469 42.973 13.114 -1.649 1.00 0.00 C ATOM 0 H THR A 469 44.184 12.152 -4.923 1.00 0.00 H new ATOM 0 HA THR A 469 41.800 13.606 -3.980 1.00 0.00 H new ATOM 0 HB THR A 469 43.446 14.965 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 469 45.423 13.821 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 469 43.486 13.372 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 469 41.915 13.360 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 469 43.082 12.046 -1.839 1.00 0.00 H new ATOM 811 N GLU A 470 43.287 15.841 -4.878 1.00 0.00 N ATOM 812 CA GLU A 470 43.692 16.858 -5.834 1.00 0.00 C ATOM 813 C GLU A 470 45.180 16.835 -6.049 1.00 0.00 C ATOM 814 O GLU A 470 45.948 16.455 -5.158 1.00 0.00 O ATOM 815 CB GLU A 470 43.220 18.272 -5.429 1.00 0.00 C ATOM 816 CG GLU A 470 43.482 18.653 -3.983 1.00 0.00 C ATOM 817 CD GLU A 470 42.480 18.042 -3.034 1.00 0.00 C ATOM 818 OE1 GLU A 470 41.410 18.648 -2.819 1.00 0.00 O ATOM 819 OE2 GLU A 470 42.747 16.942 -2.511 1.00 0.00 O ATOM 0 H GLU A 470 43.015 16.198 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 470 43.200 16.615 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.712 19.000 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.150 18.348 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 470 44.485 18.333 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 470 43.455 19.738 -3.886 1.00 0.00 H new ATOM 826 N TRP A 471 45.572 17.230 -7.239 1.00 0.00 N ATOM 827 CA TRP A 471 46.954 17.263 -7.625 1.00 0.00 C ATOM 828 C TRP A 471 47.748 18.162 -6.688 1.00 0.00 C ATOM 829 O TRP A 471 47.291 19.241 -6.299 1.00 0.00 O ATOM 830 CB TRP A 471 47.089 17.759 -9.080 1.00 0.00 C ATOM 831 CG TRP A 471 46.826 19.235 -9.261 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.763 20.206 -9.452 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.553 19.909 -9.259 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.163 21.430 -9.570 1.00 0.00 N ATOM 835 CE2 TRP A 471 45.810 21.278 -9.455 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.226 19.492 -9.113 1.00 0.00 C ATOM 837 CZ2 TRP A 471 44.795 22.228 -9.508 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.222 20.438 -9.164 1.00 0.00 C ATOM 839 CH2 TRP A 471 43.511 21.788 -9.360 1.00 0.00 C ATOM 0 H TRP A 471 44.930 17.539 -7.969 1.00 0.00 H new ATOM 0 HA TRP A 471 47.356 16.252 -7.559 1.00 0.00 H new ATOM 0 HB2 TRP A 471 48.095 17.535 -9.436 1.00 0.00 H new ATOM 0 HB3 TRP A 471 46.396 17.199 -9.708 1.00 0.00 H new ATOM 0 HD1 TRP A 471 48.828 20.034 -9.503 1.00 0.00 H new ATOM 0 HE1 TRP A 471 47.648 22.315 -9.720 1.00 0.00 H new ATOM 0 HE3 TRP A 471 43.991 18.449 -8.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.015 23.274 -9.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.194 20.127 -9.050 1.00 0.00 H new ATOM 0 HH2 TRP A 471 42.701 22.502 -9.396 1.00 0.00 H new ATOM 850 N THR A 472 48.904 17.710 -6.308 1.00 0.00 N ATOM 851 CA THR A 472 49.771 18.491 -5.481 1.00 0.00 C ATOM 852 C THR A 472 51.051 18.767 -6.238 1.00 0.00 C ATOM 853 O THR A 472 51.483 17.951 -7.054 1.00 0.00 O ATOM 854 CB THR A 472 50.072 17.800 -4.123 1.00 0.00 C ATOM 855 OG1 THR A 472 51.009 18.578 -3.370 1.00 0.00 O ATOM 856 CG2 THR A 472 50.621 16.398 -4.322 1.00 0.00 C ATOM 0 H THR A 472 49.272 16.793 -6.561 1.00 0.00 H new ATOM 0 HA THR A 472 49.268 19.428 -5.244 1.00 0.00 H new ATOM 0 HB THR A 472 49.133 17.726 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 472 51.190 18.134 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 472 50.820 15.944 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 472 49.891 15.795 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 472 51.546 16.448 -4.896 1.00 0.00 H new ATOM 864 N ARG A 473 51.647 19.912 -5.992 1.00 0.00 N ATOM 865 CA ARG A 473 52.860 20.284 -6.689 1.00 0.00 C ATOM 866 C ARG A 473 54.051 19.516 -6.115 1.00 0.00 C ATOM 867 O ARG A 473 55.177 19.626 -6.607 1.00 0.00 O ATOM 868 CB ARG A 473 53.083 21.794 -6.597 1.00 0.00 C ATOM 869 CG ARG A 473 54.110 22.333 -7.578 1.00 0.00 C ATOM 870 CD ARG A 473 54.228 23.840 -7.471 1.00 0.00 C ATOM 871 NE ARG A 473 54.675 24.268 -6.142 1.00 0.00 N ATOM 872 CZ ARG A 473 54.258 25.387 -5.535 1.00 0.00 C ATOM 873 NH1 ARG A 473 53.341 26.161 -6.111 1.00 0.00 N ATOM 874 NH2 ARG A 473 54.745 25.722 -4.345 1.00 0.00 N ATOM 0 H ARG A 473 51.314 20.600 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 473 52.760 20.022 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 473 52.133 22.301 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.400 22.042 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 473 55.079 21.874 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 473 53.826 22.059 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 473 54.930 24.202 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 473 53.262 24.295 -7.691 1.00 0.00 H new ATOM 0 HE ARG A 473 55.345 23.677 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 473 52.953 25.903 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 473 53.026 27.012 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 473 55.438 25.127 -3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 473 54.426 26.575 -3.885 1.00 0.00 H new ATOM 888 N ASP A 474 53.790 18.746 -5.065 1.00 0.00 N ATOM 889 CA ASP A 474 54.807 17.908 -4.448 1.00 0.00 C ATOM 890 C ASP A 474 55.159 16.745 -5.360 1.00 0.00 C ATOM 891 O ASP A 474 56.317 16.567 -5.738 1.00 0.00 O ATOM 892 CB ASP A 474 54.327 17.377 -3.100 1.00 0.00 C ATOM 893 CG ASP A 474 55.277 16.352 -2.515 1.00 0.00 C ATOM 894 OD1 ASP A 474 56.264 16.754 -1.862 1.00 0.00 O ATOM 895 OD2 ASP A 474 55.046 15.134 -2.711 1.00 0.00 O ATOM 0 H ASP A 474 52.874 18.686 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 474 55.695 18.519 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.218 18.208 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.341 16.929 -3.219 1.00 0.00 H new ATOM 900 N CYS A 475 54.151 15.951 -5.717 1.00 0.00 N ATOM 901 CA CYS A 475 54.366 14.813 -6.584 1.00 0.00 C ATOM 902 C CYS A 475 54.443 15.256 -8.043 1.00 0.00 C ATOM 903 O CYS A 475 55.003 14.556 -8.895 1.00 0.00 O ATOM 904 CB CYS A 475 53.282 13.737 -6.359 1.00 0.00 C ATOM 905 SG CYS A 475 51.550 14.233 -6.720 1.00 0.00 S ATOM 0 H CYS A 475 53.185 16.081 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 475 55.324 14.358 -6.332 1.00 0.00 H new ATOM 0 HB2 CYS A 475 53.525 12.873 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 475 53.335 13.411 -5.320 1.00 0.00 H new ATOM 910 N MET A 476 53.886 16.434 -8.312 1.00 0.00 N ATOM 911 CA MET A 476 53.905 17.039 -9.644 1.00 0.00 C ATOM 912 C MET A 476 55.314 17.044 -10.232 1.00 0.00 C ATOM 913 O MET A 476 56.245 17.592 -9.642 1.00 0.00 O ATOM 914 CB MET A 476 53.374 18.470 -9.571 1.00 0.00 C ATOM 915 CG MET A 476 53.452 19.243 -10.877 1.00 0.00 C ATOM 916 SD MET A 476 52.774 20.911 -10.745 1.00 0.00 S ATOM 917 CE MET A 476 51.057 20.552 -10.400 1.00 0.00 C ATOM 0 H MET A 476 53.407 16.999 -7.611 1.00 0.00 H new ATOM 0 HA MET A 476 53.266 16.442 -10.295 1.00 0.00 H new ATOM 0 HB2 MET A 476 52.335 18.441 -9.243 1.00 0.00 H new ATOM 0 HB3 MET A 476 53.934 19.013 -8.809 1.00 0.00 H new ATOM 0 HG2 MET A 476 54.492 19.303 -11.197 1.00 0.00 H new ATOM 0 HG3 MET A 476 52.912 18.696 -11.650 1.00 0.00 H new ATOM 0 HE1 MET A 476 50.455 21.441 -10.588 1.00 0.00 H new ATOM 0 HE2 MET A 476 50.718 19.741 -11.045 1.00 0.00 H new ATOM 0 HE3 MET A 476 50.950 20.255 -9.357 1.00 0.00 H new ATOM 927 N GLY A 477 55.459 16.423 -11.385 1.00 0.00 N ATOM 928 CA GLY A 477 56.741 16.368 -12.038 1.00 0.00 C ATOM 929 C GLY A 477 57.232 14.953 -12.188 1.00 0.00 C ATOM 930 O GLY A 477 57.806 14.592 -13.210 1.00 0.00 O ATOM 0 H GLY A 477 54.704 15.952 -11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 477 56.668 16.834 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.466 16.945 -11.464 1.00 0.00 H new ATOM 934 N ALA A 478 56.982 14.142 -11.175 1.00 0.00 N ATOM 935 CA ALA A 478 57.424 12.755 -11.183 1.00 0.00 C ATOM 936 C ALA A 478 56.244 11.801 -11.049 1.00 0.00 C ATOM 937 O ALA A 478 56.399 10.585 -11.141 1.00 0.00 O ATOM 938 CB ALA A 478 58.406 12.526 -10.051 1.00 0.00 C ATOM 0 H ALA A 478 56.475 14.419 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 478 57.913 12.556 -12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 478 58.735 11.487 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 478 59.268 13.181 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 478 57.922 12.745 -9.099 1.00 0.00 H new ATOM 944 N HIS A 479 55.074 12.363 -10.851 1.00 0.00 N ATOM 945 CA HIS A 479 53.866 11.582 -10.616 1.00 0.00 C ATOM 946 C HIS A 479 53.009 11.502 -11.876 1.00 0.00 C ATOM 947 O HIS A 479 51.882 11.013 -11.837 1.00 0.00 O ATOM 948 CB HIS A 479 53.083 12.259 -9.508 1.00 0.00 C ATOM 949 CG HIS A 479 52.068 11.424 -8.799 1.00 0.00 C ATOM 950 ND1 HIS A 479 50.885 11.036 -9.352 1.00 0.00 N ATOM 951 CD2 HIS A 479 52.042 10.995 -7.518 1.00 0.00 C ATOM 952 CE1 HIS A 479 50.177 10.412 -8.417 1.00 0.00 C ATOM 953 NE2 HIS A 479 50.834 10.361 -7.281 1.00 0.00 N ATOM 0 H HIS A 479 54.925 13.372 -10.847 1.00 0.00 H new ATOM 0 HA HIS A 479 54.139 10.565 -10.336 1.00 0.00 H new ATOM 0 HB2 HIS A 479 53.792 12.633 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 479 52.575 13.126 -9.931 1.00 0.00 H new ATOM 0 HD1 HIS A 479 50.594 11.197 -10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 479 52.835 11.125 -6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 479 49.190 10.001 -8.571 1.00 0.00 H new ATOM 961 N TRP A 480 53.522 11.982 -12.981 1.00 0.00 N ATOM 962 CA TRP A 480 52.756 11.937 -14.199 1.00 0.00 C ATOM 963 C TRP A 480 53.281 10.847 -15.119 1.00 0.00 C ATOM 964 O TRP A 480 52.860 9.702 -15.034 1.00 0.00 O ATOM 965 CB TRP A 480 52.759 13.289 -14.930 1.00 0.00 C ATOM 966 CG TRP A 480 52.586 14.489 -14.040 1.00 0.00 C ATOM 967 CD1 TRP A 480 53.504 15.470 -13.835 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.435 14.846 -13.246 1.00 0.00 C ATOM 969 NE1 TRP A 480 53.009 16.415 -12.976 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.745 16.058 -12.597 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.175 14.265 -13.020 1.00 0.00 C ATOM 972 CZ2 TRP A 480 50.852 16.701 -11.740 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.295 14.911 -12.174 1.00 0.00 C ATOM 974 CH2 TRP A 480 49.636 16.115 -11.546 1.00 0.00 C ATOM 0 H TRP A 480 54.449 12.401 -13.062 1.00 0.00 H new ATOM 0 HA TRP A 480 51.726 11.710 -13.924 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.698 13.390 -15.473 1.00 0.00 H new ATOM 0 HB3 TRP A 480 51.960 13.287 -15.672 1.00 0.00 H new ATOM 0 HD1 TRP A 480 54.485 15.500 -14.286 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.504 17.252 -12.668 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.902 13.335 -13.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 51.113 17.627 -11.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.322 14.478 -11.993 1.00 0.00 H new ATOM 0 HH2 TRP A 480 48.919 16.591 -10.893 1.00 0.00 H new ATOM 985 N PHE A 481 54.243 11.193 -15.948 1.00 0.00 N ATOM 986 CA PHE A 481 54.764 10.274 -16.944 1.00 0.00 C ATOM 987 C PHE A 481 55.533 9.134 -16.287 1.00 0.00 C ATOM 988 O PHE A 481 56.579 9.348 -15.664 1.00 0.00 O ATOM 989 CB PHE A 481 55.660 11.017 -17.936 1.00 0.00 C ATOM 990 CG PHE A 481 55.179 12.404 -18.265 1.00 0.00 C ATOM 991 CD1 PHE A 481 54.137 12.601 -19.151 1.00 0.00 C ATOM 992 CD2 PHE A 481 55.770 13.510 -17.673 1.00 0.00 C ATOM 993 CE1 PHE A 481 53.694 13.875 -19.445 1.00 0.00 C ATOM 994 CE2 PHE A 481 55.331 14.785 -17.963 1.00 0.00 C ATOM 995 CZ PHE A 481 54.292 14.969 -18.850 1.00 0.00 C ATOM 0 H PHE A 481 54.685 12.112 -15.953 1.00 0.00 H new ATOM 0 HA PHE A 481 53.920 9.846 -17.485 1.00 0.00 H new ATOM 0 HB2 PHE A 481 56.668 11.080 -17.525 1.00 0.00 H new ATOM 0 HB3 PHE A 481 55.726 10.437 -18.857 1.00 0.00 H new ATOM 0 HD1 PHE A 481 53.664 11.750 -19.618 1.00 0.00 H new ATOM 0 HD2 PHE A 481 56.584 13.371 -16.977 1.00 0.00 H new ATOM 0 HE1 PHE A 481 52.880 14.016 -20.140 1.00 0.00 H new ATOM 0 HE2 PHE A 481 55.801 15.638 -17.496 1.00 0.00 H new ATOM 0 HZ PHE A 481 53.946 15.966 -19.079 1.00 0.00 H new ATOM 1005 N GLY A 482 54.995 7.938 -16.401 1.00 0.00 N ATOM 1006 CA GLY A 482 55.633 6.778 -15.844 1.00 0.00 C ATOM 1007 C GLY A 482 54.646 5.667 -15.616 1.00 0.00 C ATOM 1008 O GLY A 482 54.868 4.843 -14.706 1.00 0.00 O ATOM 1009 OXT GLY A 482 53.638 5.608 -16.353 1.00 0.00 O ATOM 0 H GLY A 482 54.113 7.750 -16.878 1.00 0.00 H new ATOM 0 HA2 GLY A 482 56.420 6.436 -16.516 1.00 0.00 H new ATOM 0 HA3 GLY A 482 56.111 7.041 -14.901 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 35.012 16.253 -10.527 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 49.878 12.572 -6.881 1.00 0.00 ZN