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+ -122:sc= 0.1 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 426 ASN : amide:sc= -3.03! C(o=-3!,f=-5.7!) USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 433 THR OG1 : rot -140:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ 149:sc= -1.08 (180deg=-2.17!) USER MOD Single : A 438 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 441 THR OG1 : rot 97:sc= -0.564 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl -176:sc= 0 (180deg=-0.0273) USER MOD Single : A 451 HIS : no HD1:sc= 0.255 K(o=0.25,f=-3.3!) USER MOD Single : A 452 MET CE :methyl 146:sc= -0.903 (180deg=-3.14!) USER MOD Single : A 455 THR OG1 : rot -22:sc= 1.06 USER MOD Single : A 468 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 90:sc= 0.00783 USER MOD Single : A 476 MET CE :methyl 165:sc= -0.0698 (180deg=-0.439) USER MOD Single : A 479 HIS : no HD1:sc= -12.7! C(o=-13!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.006 9.623 -7.906 1.00 0.00 N ATOM 2 CA GLY A -1 7.458 8.964 -9.142 1.00 0.00 C ATOM 3 C GLY A -1 8.624 8.048 -8.888 1.00 0.00 C ATOM 4 O GLY A -1 8.980 7.795 -7.734 1.00 0.00 O ATOM 0 H1 GLY A -1 6.005 9.398 -7.739 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.575 9.285 -7.104 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.118 10.653 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.635 8.395 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.741 9.719 -9.875 1.00 0.00 H new ATOM 10 N SER A 0 9.217 7.547 -9.952 1.00 0.00 N ATOM 11 CA SER A 0 10.361 6.671 -9.841 1.00 0.00 C ATOM 12 C SER A 0 11.654 7.487 -9.846 1.00 0.00 C ATOM 13 O SER A 0 11.779 8.466 -10.584 1.00 0.00 O ATOM 14 CB SER A 0 10.360 5.671 -10.996 1.00 0.00 C ATOM 15 OG SER A 0 9.129 4.969 -11.057 1.00 0.00 O ATOM 0 H SER A 0 8.921 7.735 -10.910 1.00 0.00 H new ATOM 0 HA SER A 0 10.301 6.125 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.531 6.195 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.180 4.964 -10.871 1.00 0.00 H new ATOM 0 HG SER A 0 9.150 4.336 -11.805 1.00 0.00 H new ATOM 21 N ALA A 417 12.602 7.088 -9.015 1.00 0.00 N ATOM 22 CA ALA A 417 13.878 7.783 -8.919 1.00 0.00 C ATOM 23 C ALA A 417 14.971 7.007 -9.631 1.00 0.00 C ATOM 24 O ALA A 417 16.129 7.445 -9.682 1.00 0.00 O ATOM 25 CB ALA A 417 14.252 8.000 -7.465 1.00 0.00 C ATOM 0 H ALA A 417 12.513 6.284 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 417 13.774 8.753 -9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 417 15.208 8.521 -7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 417 13.483 8.599 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 417 14.334 7.036 -6.963 1.00 0.00 H new ATOM 31 N GLU A 418 14.600 5.856 -10.168 1.00 0.00 N ATOM 32 CA GLU A 418 15.525 4.992 -10.882 1.00 0.00 C ATOM 33 C GLU A 418 16.113 5.704 -12.092 1.00 0.00 C ATOM 34 O GLU A 418 15.385 6.235 -12.936 1.00 0.00 O ATOM 35 CB GLU A 418 14.823 3.701 -11.328 1.00 0.00 C ATOM 36 CG GLU A 418 14.554 2.692 -10.211 1.00 0.00 C ATOM 37 CD GLU A 418 13.685 3.236 -9.094 1.00 0.00 C ATOM 38 OE1 GLU A 418 12.653 3.878 -9.385 1.00 0.00 O ATOM 39 OE2 GLU A 418 14.019 3.010 -7.910 1.00 0.00 O ATOM 0 H GLU A 418 13.647 5.494 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 418 16.337 4.738 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 418 13.874 3.964 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 418 15.432 3.220 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 418 14.073 1.811 -10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 418 15.506 2.365 -9.792 1.00 0.00 H new ATOM 46 N ALA A 419 17.423 5.723 -12.166 1.00 0.00 N ATOM 47 CA ALA A 419 18.120 6.348 -13.270 1.00 0.00 C ATOM 48 C ALA A 419 18.927 5.302 -14.019 1.00 0.00 C ATOM 49 O ALA A 419 18.676 4.102 -13.870 1.00 0.00 O ATOM 50 CB ALA A 419 19.023 7.462 -12.755 1.00 0.00 C ATOM 0 H ALA A 419 18.036 5.307 -11.465 1.00 0.00 H new ATOM 0 HA ALA A 419 17.395 6.787 -13.955 1.00 0.00 H new ATOM 0 HB1 ALA A 419 19.543 7.926 -13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 419 18.420 8.212 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 419 19.753 7.047 -12.060 1.00 0.00 H new ATOM 56 N ARG A 420 19.876 5.746 -14.832 1.00 0.00 N ATOM 57 CA ARG A 420 20.738 4.832 -15.558 1.00 0.00 C ATOM 58 C ARG A 420 21.533 3.996 -14.564 1.00 0.00 C ATOM 59 O ARG A 420 22.120 4.537 -13.624 1.00 0.00 O ATOM 60 CB ARG A 420 21.685 5.605 -16.478 1.00 0.00 C ATOM 61 CG ARG A 420 22.536 4.720 -17.371 1.00 0.00 C ATOM 62 CD ARG A 420 23.455 5.547 -18.247 1.00 0.00 C ATOM 63 NE ARG A 420 24.257 4.715 -19.143 1.00 0.00 N ATOM 64 CZ ARG A 420 25.233 5.179 -19.923 1.00 0.00 C ATOM 65 NH1 ARG A 420 25.536 6.476 -19.919 1.00 0.00 N ATOM 66 NH2 ARG A 420 25.901 4.345 -20.706 1.00 0.00 N ATOM 0 H ARG A 420 20.066 6.733 -15.003 1.00 0.00 H new ATOM 0 HA ARG A 420 20.125 4.176 -16.176 1.00 0.00 H new ATOM 0 HB2 ARG A 420 21.099 6.278 -17.103 1.00 0.00 H new ATOM 0 HB3 ARG A 420 22.341 6.226 -15.868 1.00 0.00 H new ATOM 0 HG2 ARG A 420 23.128 4.042 -16.757 1.00 0.00 H new ATOM 0 HG3 ARG A 420 21.891 4.103 -17.997 1.00 0.00 H new ATOM 0 HD2 ARG A 420 22.861 6.246 -18.836 1.00 0.00 H new ATOM 0 HD3 ARG A 420 24.116 6.143 -17.617 1.00 0.00 H new ATOM 0 HE ARG A 420 24.057 3.715 -19.173 1.00 0.00 H new ATOM 0 HH11 ARG A 420 25.020 7.118 -19.317 1.00 0.00 H new ATOM 0 HH12 ARG A 420 26.284 6.827 -20.517 1.00 0.00 H new ATOM 0 HH21 ARG A 420 25.668 3.352 -20.710 1.00 0.00 H new ATOM 0 HH22 ARG A 420 26.649 4.696 -21.305 1.00 0.00 H new ATOM 80 N TRP A 421 21.540 2.691 -14.761 1.00 0.00 N ATOM 81 CA TRP A 421 22.203 1.791 -13.841 1.00 0.00 C ATOM 82 C TRP A 421 23.715 1.948 -13.880 1.00 0.00 C ATOM 83 O TRP A 421 24.310 2.456 -12.930 1.00 0.00 O ATOM 84 CB TRP A 421 21.799 0.343 -14.110 1.00 0.00 C ATOM 85 CG TRP A 421 20.343 0.093 -13.878 1.00 0.00 C ATOM 86 CD1 TRP A 421 19.729 -0.109 -12.680 1.00 0.00 C ATOM 87 CD2 TRP A 421 19.315 0.020 -14.869 1.00 0.00 C ATOM 88 NE1 TRP A 421 18.386 -0.298 -12.864 1.00 0.00 N ATOM 89 CE2 TRP A 421 18.106 -0.225 -14.199 1.00 0.00 C ATOM 90 CE3 TRP A 421 19.303 0.141 -16.258 1.00 0.00 C ATOM 91 CZ2 TRP A 421 16.895 -0.352 -14.871 1.00 0.00 C ATOM 92 CZ3 TRP A 421 18.101 0.013 -16.924 1.00 0.00 C ATOM 93 CH2 TRP A 421 16.912 -0.230 -16.231 1.00 0.00 C ATOM 0 H TRP A 421 21.092 2.231 -15.553 1.00 0.00 H new ATOM 0 HA TRP A 421 21.877 2.059 -12.836 1.00 0.00 H new ATOM 0 HB2 TRP A 421 22.047 0.087 -15.140 1.00 0.00 H new ATOM 0 HB3 TRP A 421 22.383 -0.317 -13.468 1.00 0.00 H new ATOM 0 HD1 TRP A 421 20.229 -0.119 -11.723 1.00 0.00 H new ATOM 0 HE1 TRP A 421 17.704 -0.466 -12.124 1.00 0.00 H new ATOM 0 HE3 TRP A 421 20.216 0.331 -16.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 15.975 -0.540 -14.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 18.079 0.102 -18.000 1.00 0.00 H new ATOM 0 HH2 TRP A 421 15.988 -0.323 -16.782 1.00 0.00 H new ATOM 104 N ASP A 422 24.334 1.540 -14.982 1.00 0.00 N ATOM 105 CA ASP A 422 25.790 1.609 -15.097 1.00 0.00 C ATOM 106 C ASP A 422 26.247 1.269 -16.501 1.00 0.00 C ATOM 107 O ASP A 422 25.439 0.918 -17.361 1.00 0.00 O ATOM 108 CB ASP A 422 26.459 0.642 -14.108 1.00 0.00 C ATOM 109 CG ASP A 422 26.219 -0.817 -14.459 1.00 0.00 C ATOM 110 OD1 ASP A 422 25.182 -1.373 -14.047 1.00 0.00 O ATOM 111 OD2 ASP A 422 27.068 -1.418 -15.142 1.00 0.00 O ATOM 0 H ASP A 422 23.859 1.162 -15.801 1.00 0.00 H new ATOM 0 HA ASP A 422 26.084 2.633 -14.865 1.00 0.00 H new ATOM 0 HB2 ASP A 422 27.532 0.835 -14.088 1.00 0.00 H new ATOM 0 HB3 ASP A 422 26.081 0.837 -13.104 1.00 0.00 H new ATOM 116 N GLU A 423 27.544 1.379 -16.719 1.00 0.00 N ATOM 117 CA GLU A 423 28.148 1.046 -17.991 1.00 0.00 C ATOM 118 C GLU A 423 29.086 -0.146 -17.810 1.00 0.00 C ATOM 119 O GLU A 423 29.904 -0.169 -16.883 1.00 0.00 O ATOM 120 CB GLU A 423 28.905 2.255 -18.555 1.00 0.00 C ATOM 121 CG GLU A 423 29.578 2.000 -19.894 1.00 0.00 C ATOM 122 CD GLU A 423 28.610 1.549 -20.967 1.00 0.00 C ATOM 123 OE1 GLU A 423 28.325 0.335 -21.047 1.00 0.00 O ATOM 124 OE2 GLU A 423 28.136 2.404 -21.744 1.00 0.00 O ATOM 0 H GLU A 423 28.208 1.703 -16.016 1.00 0.00 H new ATOM 0 HA GLU A 423 27.368 0.777 -18.703 1.00 0.00 H new ATOM 0 HB2 GLU A 423 28.209 3.087 -18.664 1.00 0.00 H new ATOM 0 HB3 GLU A 423 29.662 2.564 -17.834 1.00 0.00 H new ATOM 0 HG2 GLU A 423 30.077 2.912 -20.223 1.00 0.00 H new ATOM 0 HG3 GLU A 423 30.350 1.241 -19.767 1.00 0.00 H new ATOM 131 N ALA A 424 28.981 -1.115 -18.705 1.00 0.00 N ATOM 132 CA ALA A 424 29.754 -2.349 -18.607 1.00 0.00 C ATOM 133 C ALA A 424 31.074 -2.266 -19.368 1.00 0.00 C ATOM 134 O ALA A 424 31.574 -3.269 -19.879 1.00 0.00 O ATOM 135 CB ALA A 424 28.928 -3.517 -19.115 1.00 0.00 C ATOM 0 H ALA A 424 28.363 -1.072 -19.515 1.00 0.00 H new ATOM 0 HA ALA A 424 29.998 -2.501 -17.556 1.00 0.00 H new ATOM 0 HB1 ALA A 424 29.511 -4.435 -19.039 1.00 0.00 H new ATOM 0 HB2 ALA A 424 28.023 -3.611 -18.515 1.00 0.00 H new ATOM 0 HB3 ALA A 424 28.656 -3.345 -20.156 1.00 0.00 H new ATOM 141 N SER A 425 31.643 -1.080 -19.429 1.00 0.00 N ATOM 142 CA SER A 425 32.932 -0.884 -20.083 1.00 0.00 C ATOM 143 C SER A 425 34.058 -1.020 -19.053 1.00 0.00 C ATOM 144 O SER A 425 35.118 -0.398 -19.172 1.00 0.00 O ATOM 145 CB SER A 425 32.977 0.492 -20.745 1.00 0.00 C ATOM 146 OG SER A 425 31.917 0.642 -21.680 1.00 0.00 O ATOM 0 H SER A 425 31.237 -0.232 -19.034 1.00 0.00 H new ATOM 0 HA SER A 425 33.066 -1.643 -20.853 1.00 0.00 H new ATOM 0 HB2 SER A 425 32.907 1.269 -19.983 1.00 0.00 H new ATOM 0 HB3 SER A 425 33.934 0.626 -21.250 1.00 0.00 H new ATOM 0 HG SER A 425 31.965 1.531 -22.090 1.00 0.00 H new ATOM 152 N ASN A 426 33.815 -1.860 -18.055 1.00 0.00 N ATOM 153 CA ASN A 426 34.744 -2.068 -16.953 1.00 0.00 C ATOM 154 C ASN A 426 36.019 -2.767 -17.411 1.00 0.00 C ATOM 155 O ASN A 426 35.976 -3.862 -17.974 1.00 0.00 O ATOM 156 CB ASN A 426 34.065 -2.878 -15.840 1.00 0.00 C ATOM 157 CG ASN A 426 34.990 -3.167 -14.671 1.00 0.00 C ATOM 158 OD1 ASN A 426 35.101 -2.370 -13.746 1.00 0.00 O ATOM 159 ND2 ASN A 426 35.643 -4.310 -14.698 1.00 0.00 N ATOM 0 H ASN A 426 32.964 -2.418 -17.987 1.00 0.00 H new ATOM 0 HA ASN A 426 35.027 -1.089 -16.567 1.00 0.00 H new ATOM 0 HB2 ASN A 426 33.193 -2.332 -15.480 1.00 0.00 H new ATOM 0 HB3 ASN A 426 33.703 -3.820 -16.252 1.00 0.00 H new ATOM 0 HD21 ASN A 426 36.268 -4.559 -13.931 1.00 0.00 H new ATOM 0 HD22 ASN A 426 35.524 -4.947 -15.486 1.00 0.00 H new ATOM 166 N VAL A 427 37.148 -2.121 -17.168 1.00 0.00 N ATOM 167 CA VAL A 427 38.439 -2.680 -17.512 1.00 0.00 C ATOM 168 C VAL A 427 38.862 -3.701 -16.457 1.00 0.00 C ATOM 169 O VAL A 427 38.795 -3.427 -15.259 1.00 0.00 O ATOM 170 CB VAL A 427 39.518 -1.576 -17.628 1.00 0.00 C ATOM 171 CG1 VAL A 427 40.835 -2.159 -18.103 1.00 0.00 C ATOM 172 CG2 VAL A 427 39.054 -0.471 -18.568 1.00 0.00 C ATOM 0 H VAL A 427 37.193 -1.201 -16.730 1.00 0.00 H new ATOM 0 HA VAL A 427 38.345 -3.170 -18.481 1.00 0.00 H new ATOM 0 HB VAL A 427 39.672 -1.146 -16.639 1.00 0.00 H new ATOM 0 HG11 VAL A 427 41.578 -1.365 -18.177 1.00 0.00 H new ATOM 0 HG12 VAL A 427 41.177 -2.911 -17.392 1.00 0.00 H new ATOM 0 HG13 VAL A 427 40.697 -2.620 -19.081 1.00 0.00 H new ATOM 0 HG21 VAL A 427 39.825 0.296 -18.637 1.00 0.00 H new ATOM 0 HG22 VAL A 427 38.869 -0.889 -19.557 1.00 0.00 H new ATOM 0 HG23 VAL A 427 38.135 -0.028 -18.183 1.00 0.00 H new ATOM 182 N THR A 428 39.305 -4.863 -16.918 1.00 0.00 N ATOM 183 CA THR A 428 39.691 -5.985 -16.060 1.00 0.00 C ATOM 184 C THR A 428 40.677 -5.594 -14.952 1.00 0.00 C ATOM 185 O THR A 428 40.503 -5.968 -13.787 1.00 0.00 O ATOM 186 CB THR A 428 40.318 -7.102 -16.911 1.00 0.00 C ATOM 187 OG1 THR A 428 39.369 -7.574 -17.879 1.00 0.00 O ATOM 188 CG2 THR A 428 40.799 -8.253 -16.048 1.00 0.00 C ATOM 0 H THR A 428 39.409 -5.060 -17.913 1.00 0.00 H new ATOM 0 HA THR A 428 38.777 -6.328 -15.576 1.00 0.00 H new ATOM 0 HB THR A 428 41.184 -6.686 -17.427 1.00 0.00 H new ATOM 0 HG1 THR A 428 39.777 -8.284 -18.418 1.00 0.00 H new ATOM 0 HG21 THR A 428 41.236 -9.025 -16.681 1.00 0.00 H new ATOM 0 HG22 THR A 428 41.550 -7.892 -15.345 1.00 0.00 H new ATOM 0 HG23 THR A 428 39.957 -8.671 -15.496 1.00 0.00 H new ATOM 196 N ILE A 429 41.684 -4.850 -15.318 1.00 0.00 N ATOM 197 CA ILE A 429 42.748 -4.484 -14.391 1.00 0.00 C ATOM 198 C ILE A 429 42.318 -3.391 -13.386 1.00 0.00 C ATOM 199 O ILE A 429 42.963 -3.204 -12.351 1.00 0.00 O ATOM 200 CB ILE A 429 44.032 -4.053 -15.167 1.00 0.00 C ATOM 201 CG1 ILE A 429 45.118 -3.502 -14.222 1.00 0.00 C ATOM 202 CG2 ILE A 429 43.686 -3.056 -16.252 1.00 0.00 C ATOM 203 CD1 ILE A 429 46.377 -3.037 -14.928 1.00 0.00 C ATOM 0 H ILE A 429 41.801 -4.476 -16.260 1.00 0.00 H new ATOM 0 HA ILE A 429 42.973 -5.374 -13.804 1.00 0.00 H new ATOM 0 HB ILE A 429 44.449 -4.942 -15.640 1.00 0.00 H new ATOM 0 HG12 ILE A 429 44.703 -2.668 -13.656 1.00 0.00 H new ATOM 0 HG13 ILE A 429 45.383 -4.275 -13.501 1.00 0.00 H new ATOM 0 HG21 ILE A 429 44.593 -2.766 -16.783 1.00 0.00 H new ATOM 0 HG22 ILE A 429 42.985 -3.509 -16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 429 43.231 -2.173 -15.803 1.00 0.00 H new ATOM 0 HD11 ILE A 429 47.090 -2.664 -14.193 1.00 0.00 H new ATOM 0 HD12 ILE A 429 46.819 -3.872 -15.471 1.00 0.00 H new ATOM 0 HD13 ILE A 429 46.128 -2.240 -15.629 1.00 0.00 H new ATOM 215 N LYS A 430 41.224 -2.699 -13.660 1.00 0.00 N ATOM 216 CA LYS A 430 40.803 -1.636 -12.762 1.00 0.00 C ATOM 217 C LYS A 430 39.296 -1.449 -12.753 1.00 0.00 C ATOM 218 O LYS A 430 38.600 -2.007 -11.909 1.00 0.00 O ATOM 219 CB LYS A 430 41.519 -0.318 -13.111 1.00 0.00 C ATOM 220 CG LYS A 430 41.303 0.804 -12.104 1.00 0.00 C ATOM 221 CD LYS A 430 41.928 0.484 -10.755 1.00 0.00 C ATOM 222 CE LYS A 430 43.448 0.406 -10.837 1.00 0.00 C ATOM 223 NZ LYS A 430 44.057 0.142 -9.511 1.00 0.00 N ATOM 0 H LYS A 430 40.626 -2.847 -14.473 1.00 0.00 H new ATOM 0 HA LYS A 430 41.089 -1.934 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 430 42.588 -0.512 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 430 41.177 0.018 -14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 430 41.732 1.728 -12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 430 40.234 0.977 -11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 430 41.642 1.248 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 430 41.535 -0.464 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 430 43.735 -0.383 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 430 43.839 1.341 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 45.092 0.096 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 43.804 0.908 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 43.703 -0.763 -9.140 1.00 0.00 H new ATOM 237 N VAL A 431 38.802 -0.668 -13.688 1.00 0.00 N ATOM 238 CA VAL A 431 37.389 -0.358 -13.764 1.00 0.00 C ATOM 239 C VAL A 431 37.144 0.510 -14.993 1.00 0.00 C ATOM 240 O VAL A 431 38.098 0.924 -15.650 1.00 0.00 O ATOM 241 CB VAL A 431 36.919 0.402 -12.481 1.00 0.00 C ATOM 242 CG1 VAL A 431 37.513 1.794 -12.429 1.00 0.00 C ATOM 243 CG2 VAL A 431 35.396 0.461 -12.375 1.00 0.00 C ATOM 0 H VAL A 431 39.366 -0.230 -14.416 1.00 0.00 H new ATOM 0 HA VAL A 431 36.822 -1.286 -13.838 1.00 0.00 H new ATOM 0 HB VAL A 431 37.283 -0.163 -11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 431 37.171 2.302 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 431 38.601 1.725 -12.416 1.00 0.00 H new ATOM 0 HG13 VAL A 431 37.195 2.358 -13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 431 35.115 0.998 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 431 34.991 0.979 -13.244 1.00 0.00 H new ATOM 0 HG23 VAL A 431 34.994 -0.552 -12.336 1.00 0.00 H new ATOM 253 N SER A 432 35.890 0.762 -15.317 1.00 0.00 N ATOM 254 CA SER A 432 35.556 1.621 -16.435 1.00 0.00 C ATOM 255 C SER A 432 35.960 3.063 -16.125 1.00 0.00 C ATOM 256 O SER A 432 36.721 3.686 -16.872 1.00 0.00 O ATOM 257 CB SER A 432 34.053 1.547 -16.730 1.00 0.00 C ATOM 258 OG SER A 432 33.711 2.305 -17.880 1.00 0.00 O ATOM 0 H SER A 432 35.084 0.382 -14.820 1.00 0.00 H new ATOM 0 HA SER A 432 36.102 1.281 -17.315 1.00 0.00 H new ATOM 0 HB2 SER A 432 33.761 0.507 -16.878 1.00 0.00 H new ATOM 0 HB3 SER A 432 33.494 1.916 -15.870 1.00 0.00 H new ATOM 0 HG SER A 432 32.747 2.236 -18.042 1.00 0.00 H new ATOM 264 N THR A 433 35.462 3.578 -15.013 1.00 0.00 N ATOM 265 CA THR A 433 35.730 4.944 -14.620 1.00 0.00 C ATOM 266 C THR A 433 36.012 5.038 -13.119 1.00 0.00 C ATOM 267 O THR A 433 35.502 4.236 -12.332 1.00 0.00 O ATOM 268 CB THR A 433 34.528 5.845 -14.961 1.00 0.00 C ATOM 269 OG1 THR A 433 33.323 5.239 -14.474 1.00 0.00 O ATOM 270 CG2 THR A 433 34.412 6.067 -16.464 1.00 0.00 C ATOM 0 H THR A 433 34.866 3.063 -14.365 1.00 0.00 H new ATOM 0 HA THR A 433 36.610 5.280 -15.169 1.00 0.00 H new ATOM 0 HB THR A 433 34.681 6.813 -14.483 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.606 5.363 -15.130 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.554 6.707 -16.672 1.00 0.00 H new ATOM 0 HG22 THR A 433 35.319 6.546 -16.832 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.279 5.108 -16.964 1.00 0.00 H new ATOM 278 N LYS A 434 36.824 6.008 -12.730 1.00 0.00 N ATOM 279 CA LYS A 434 37.131 6.225 -11.326 1.00 0.00 C ATOM 280 C LYS A 434 36.327 7.411 -10.827 1.00 0.00 C ATOM 281 O LYS A 434 36.122 8.362 -11.561 1.00 0.00 O ATOM 282 CB LYS A 434 38.632 6.506 -11.128 1.00 0.00 C ATOM 283 CG LYS A 434 39.559 5.437 -11.694 1.00 0.00 C ATOM 284 CD LYS A 434 39.406 4.084 -11.000 1.00 0.00 C ATOM 285 CE LYS A 434 40.093 4.034 -9.639 1.00 0.00 C ATOM 286 NZ LYS A 434 39.273 4.632 -8.554 1.00 0.00 N ATOM 0 H LYS A 434 37.283 6.658 -13.368 1.00 0.00 H new ATOM 0 HA LYS A 434 36.873 5.326 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.874 7.461 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.830 6.612 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.359 5.317 -12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.592 5.773 -11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 434 38.346 3.863 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.820 3.304 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 434 40.317 2.997 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 434 41.046 4.560 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 39.479 4.148 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 39.501 5.643 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 38.264 4.524 -8.782 1.00 0.00 H new ATOM 300 N PRO A 435 35.832 7.358 -9.599 1.00 0.00 N ATOM 301 CA PRO A 435 35.061 8.458 -9.030 1.00 0.00 C ATOM 302 C PRO A 435 35.940 9.657 -8.672 1.00 0.00 C ATOM 303 O PRO A 435 37.014 9.500 -8.079 1.00 0.00 O ATOM 304 CB PRO A 435 34.453 7.847 -7.766 1.00 0.00 C ATOM 305 CG PRO A 435 35.399 6.763 -7.384 1.00 0.00 C ATOM 306 CD PRO A 435 35.961 6.227 -8.669 1.00 0.00 C ATOM 0 HA PRO A 435 34.322 8.845 -9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.358 8.589 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.454 7.454 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.192 7.146 -6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 435 34.888 5.979 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.000 5.918 -8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.406 5.356 -9.017 1.00 0.00 H new ATOM 314 N CYS A 436 35.489 10.848 -9.061 1.00 0.00 N ATOM 315 CA CYS A 436 36.179 12.081 -8.724 1.00 0.00 C ATOM 316 C CYS A 436 36.227 12.223 -7.212 1.00 0.00 C ATOM 317 O CYS A 436 35.261 11.897 -6.531 1.00 0.00 O ATOM 318 CB CYS A 436 35.435 13.275 -9.360 1.00 0.00 C ATOM 319 SG CYS A 436 36.033 14.941 -8.874 1.00 0.00 S ATOM 0 H CYS A 436 34.642 10.980 -9.614 1.00 0.00 H new ATOM 0 HA CYS A 436 37.198 12.061 -9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.505 13.187 -10.444 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.379 13.199 -9.102 1.00 0.00 H new ATOM 324 N PRO A 437 37.339 12.705 -6.664 1.00 0.00 N ATOM 325 CA PRO A 437 37.482 12.874 -5.223 1.00 0.00 C ATOM 326 C PRO A 437 36.445 13.848 -4.659 1.00 0.00 C ATOM 327 O PRO A 437 36.196 13.880 -3.452 1.00 0.00 O ATOM 328 CB PRO A 437 38.902 13.433 -5.051 1.00 0.00 C ATOM 329 CG PRO A 437 39.293 13.943 -6.396 1.00 0.00 C ATOM 330 CD PRO A 437 38.541 13.114 -7.396 1.00 0.00 C ATOM 0 HA PRO A 437 37.324 11.939 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 437 38.923 14.230 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.590 12.660 -4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.043 14.999 -6.499 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.369 13.854 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.292 13.689 -8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.124 12.253 -7.724 1.00 0.00 H new ATOM 338 N LYS A 438 35.835 14.625 -5.545 1.00 0.00 N ATOM 339 CA LYS A 438 34.828 15.596 -5.157 1.00 0.00 C ATOM 340 C LYS A 438 33.449 15.180 -5.663 1.00 0.00 C ATOM 341 O LYS A 438 32.551 14.887 -4.875 1.00 0.00 O ATOM 342 CB LYS A 438 35.167 16.994 -5.707 1.00 0.00 C ATOM 343 CG LYS A 438 36.268 17.756 -4.950 1.00 0.00 C ATOM 344 CD LYS A 438 37.642 17.131 -5.131 1.00 0.00 C ATOM 345 CE LYS A 438 38.743 18.005 -4.532 1.00 0.00 C ATOM 346 NZ LYS A 438 38.595 18.185 -3.067 1.00 0.00 N ATOM 0 H LYS A 438 36.025 14.598 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 438 34.816 15.634 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.471 16.891 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.260 17.598 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.294 18.789 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 438 36.022 17.783 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.660 16.149 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 438 37.836 16.978 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 438 39.713 17.556 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 438 38.731 18.981 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 39.403 18.728 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 37.713 18.699 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 38.565 17.254 -2.604 1.00 0.00 H new ATOM 360 N CYS A 439 33.300 15.141 -6.982 1.00 0.00 N ATOM 361 CA CYS A 439 32.020 14.825 -7.611 1.00 0.00 C ATOM 362 C CYS A 439 31.674 13.357 -7.467 1.00 0.00 C ATOM 363 O CYS A 439 30.496 12.997 -7.376 1.00 0.00 O ATOM 364 CB CYS A 439 32.076 15.167 -9.089 1.00 0.00 C ATOM 365 SG CYS A 439 32.925 16.723 -9.458 1.00 0.00 S ATOM 0 H CYS A 439 34.055 15.326 -7.642 1.00 0.00 H new ATOM 0 HA CYS A 439 31.253 15.415 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 439 32.578 14.358 -9.619 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.059 15.220 -9.477 1.00 0.00 H new ATOM 370 N ARG A 440 32.706 12.521 -7.461 1.00 0.00 N ATOM 371 CA ARG A 440 32.545 11.066 -7.413 1.00 0.00 C ATOM 372 C ARG A 440 31.861 10.547 -8.671 1.00 0.00 C ATOM 373 O ARG A 440 31.311 9.440 -8.696 1.00 0.00 O ATOM 374 CB ARG A 440 31.816 10.636 -6.153 1.00 0.00 C ATOM 375 CG ARG A 440 32.708 10.686 -4.938 1.00 0.00 C ATOM 376 CD ARG A 440 31.934 10.476 -3.668 1.00 0.00 C ATOM 377 NE ARG A 440 30.963 11.549 -3.440 1.00 0.00 N ATOM 378 CZ ARG A 440 30.729 12.122 -2.258 1.00 0.00 C ATOM 379 NH1 ARG A 440 31.389 11.723 -1.177 1.00 0.00 N ATOM 380 NH2 ARG A 440 29.836 13.098 -2.160 1.00 0.00 N ATOM 0 H ARG A 440 33.678 12.829 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 440 33.538 10.618 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 440 30.953 11.282 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.436 9.623 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 440 33.481 9.922 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.215 11.650 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 440 31.414 9.519 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 440 32.624 10.425 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 440 30.428 11.882 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 440 32.079 10.975 -1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 440 31.206 12.165 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 440 29.329 13.410 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 440 29.657 13.536 -1.257 1.00 0.00 H new ATOM 394 N THR A 441 31.933 11.352 -9.719 1.00 0.00 N ATOM 395 CA THR A 441 31.365 11.028 -11.005 1.00 0.00 C ATOM 396 C THR A 441 32.307 10.117 -11.791 1.00 0.00 C ATOM 397 O THR A 441 33.496 10.027 -11.469 1.00 0.00 O ATOM 398 CB THR A 441 31.104 12.317 -11.803 1.00 0.00 C ATOM 399 OG1 THR A 441 32.189 13.238 -11.588 1.00 0.00 O ATOM 400 CG2 THR A 441 29.794 12.958 -11.367 1.00 0.00 C ATOM 0 H THR A 441 32.396 12.261 -9.693 1.00 0.00 H new ATOM 0 HA THR A 441 30.422 10.505 -10.846 1.00 0.00 H new ATOM 0 HB THR A 441 31.034 12.069 -12.862 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.831 13.164 -12.324 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.625 13.869 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 441 28.973 12.262 -11.540 1.00 0.00 H new ATOM 0 HG23 THR A 441 29.844 13.203 -10.306 1.00 0.00 H new ATOM 408 N PRO A 442 31.790 9.419 -12.821 1.00 0.00 N ATOM 409 CA PRO A 442 32.592 8.513 -13.643 1.00 0.00 C ATOM 410 C PRO A 442 33.695 9.235 -14.426 1.00 0.00 C ATOM 411 O PRO A 442 33.447 9.841 -15.479 1.00 0.00 O ATOM 412 CB PRO A 442 31.568 7.885 -14.602 1.00 0.00 C ATOM 413 CG PRO A 442 30.426 8.833 -14.620 1.00 0.00 C ATOM 414 CD PRO A 442 30.379 9.448 -13.255 1.00 0.00 C ATOM 0 HA PRO A 442 33.122 7.784 -13.030 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.989 7.755 -15.599 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.257 6.899 -14.257 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.564 9.595 -15.387 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.494 8.316 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 442 29.988 10.465 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.739 8.880 -12.580 1.00 0.00 H new ATOM 422 N THR A 443 34.900 9.186 -13.893 1.00 0.00 N ATOM 423 CA THR A 443 36.052 9.780 -14.534 1.00 0.00 C ATOM 424 C THR A 443 36.737 8.758 -15.436 1.00 0.00 C ATOM 425 O THR A 443 37.197 7.711 -14.964 1.00 0.00 O ATOM 426 CB THR A 443 37.061 10.297 -13.483 1.00 0.00 C ATOM 427 OG1 THR A 443 36.449 11.319 -12.694 1.00 0.00 O ATOM 428 CG2 THR A 443 38.314 10.841 -14.145 1.00 0.00 C ATOM 0 H THR A 443 35.106 8.733 -13.003 1.00 0.00 H new ATOM 0 HA THR A 443 35.708 10.622 -15.134 1.00 0.00 H new ATOM 0 HB THR A 443 37.350 9.461 -12.846 1.00 0.00 H new ATOM 0 HG1 THR A 443 37.089 11.645 -12.027 1.00 0.00 H new ATOM 0 HG21 THR A 443 39.004 11.197 -13.380 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.791 10.051 -14.725 1.00 0.00 H new ATOM 0 HG23 THR A 443 38.048 11.666 -14.806 1.00 0.00 H new ATOM 436 N GLU A 444 36.771 9.053 -16.735 1.00 0.00 N ATOM 437 CA GLU A 444 37.411 8.179 -17.713 1.00 0.00 C ATOM 438 C GLU A 444 38.875 7.982 -17.363 1.00 0.00 C ATOM 439 O GLU A 444 39.683 8.901 -17.476 1.00 0.00 O ATOM 440 CB GLU A 444 37.255 8.751 -19.118 1.00 0.00 C ATOM 441 CG GLU A 444 35.806 8.889 -19.550 1.00 0.00 C ATOM 442 CD GLU A 444 35.661 9.406 -20.959 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.850 8.622 -21.906 1.00 0.00 O ATOM 444 OE2 GLU A 444 35.349 10.600 -21.131 1.00 0.00 O ATOM 0 H GLU A 444 36.360 9.896 -17.135 1.00 0.00 H new ATOM 0 HA GLU A 444 36.922 7.205 -17.689 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.735 9.729 -19.161 1.00 0.00 H new ATOM 0 HB3 GLU A 444 37.779 8.108 -19.825 1.00 0.00 H new ATOM 0 HG2 GLU A 444 35.315 7.919 -19.472 1.00 0.00 H new ATOM 0 HG3 GLU A 444 35.291 9.563 -18.866 1.00 0.00 H new ATOM 451 N ARG A 445 39.196 6.787 -16.918 1.00 0.00 N ATOM 452 CA ARG A 445 40.525 6.470 -16.467 1.00 0.00 C ATOM 453 C ARG A 445 41.383 5.831 -17.554 1.00 0.00 C ATOM 454 O ARG A 445 40.885 5.085 -18.400 1.00 0.00 O ATOM 455 CB ARG A 445 40.446 5.564 -15.223 1.00 0.00 C ATOM 456 CG ARG A 445 39.621 4.284 -15.389 1.00 0.00 C ATOM 457 CD ARG A 445 40.501 3.037 -15.464 1.00 0.00 C ATOM 458 NE ARG A 445 41.193 2.926 -16.742 1.00 0.00 N ATOM 459 CZ ARG A 445 42.397 2.380 -16.917 1.00 0.00 C ATOM 460 NH1 ARG A 445 43.083 1.905 -15.880 1.00 0.00 N ATOM 461 NH2 ARG A 445 42.914 2.320 -18.131 1.00 0.00 N ATOM 0 H ARG A 445 38.539 6.009 -16.860 1.00 0.00 H new ATOM 0 HA ARG A 445 41.016 7.407 -16.206 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.459 5.287 -14.932 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.025 6.142 -14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 445 38.929 4.189 -14.552 1.00 0.00 H new ATOM 0 HG3 ARG A 445 39.019 4.357 -16.294 1.00 0.00 H new ATOM 0 HD2 ARG A 445 41.234 3.063 -14.657 1.00 0.00 H new ATOM 0 HD3 ARG A 445 39.886 2.151 -15.308 1.00 0.00 H new ATOM 0 HE ARG A 445 40.719 3.295 -17.567 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.689 1.957 -14.941 1.00 0.00 H new ATOM 0 HH12 ARG A 445 44.003 1.489 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 445 42.393 2.690 -18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 445 43.834 1.904 -18.273 1.00 0.00 H new ATOM 475 N ASP A 446 42.661 6.162 -17.530 1.00 0.00 N ATOM 476 CA ASP A 446 43.663 5.570 -18.409 1.00 0.00 C ATOM 477 C ASP A 446 45.046 5.766 -17.801 1.00 0.00 C ATOM 478 O ASP A 446 45.402 6.867 -17.389 1.00 0.00 O ATOM 479 CB ASP A 446 43.604 6.152 -19.835 1.00 0.00 C ATOM 480 CG ASP A 446 43.754 7.660 -19.889 1.00 0.00 C ATOM 481 OD1 ASP A 446 44.903 8.151 -19.939 1.00 0.00 O ATOM 482 OD2 ASP A 446 42.723 8.355 -19.916 1.00 0.00 O ATOM 0 H ASP A 446 43.042 6.860 -16.891 1.00 0.00 H new ATOM 0 HA ASP A 446 43.450 4.505 -18.498 1.00 0.00 H new ATOM 0 HB2 ASP A 446 44.391 5.697 -20.436 1.00 0.00 H new ATOM 0 HB3 ASP A 446 42.654 5.874 -20.291 1.00 0.00 H new ATOM 487 N GLY A 447 45.810 4.693 -17.713 1.00 0.00 N ATOM 488 CA GLY A 447 47.113 4.769 -17.089 1.00 0.00 C ATOM 489 C GLY A 447 48.234 5.030 -18.070 1.00 0.00 C ATOM 490 O GLY A 447 49.222 4.292 -18.104 1.00 0.00 O ATOM 0 H GLY A 447 45.553 3.770 -18.062 1.00 0.00 H new ATOM 0 HA2 GLY A 447 47.104 5.561 -16.340 1.00 0.00 H new ATOM 0 HA3 GLY A 447 47.311 3.835 -16.563 1.00 0.00 H new ATOM 494 N GLY A 448 48.088 6.070 -18.871 1.00 0.00 N ATOM 495 CA GLY A 448 49.129 6.420 -19.814 1.00 0.00 C ATOM 496 C GLY A 448 50.142 7.352 -19.194 1.00 0.00 C ATOM 497 O GLY A 448 51.245 6.940 -18.838 1.00 0.00 O ATOM 0 H GLY A 448 47.270 6.678 -18.887 1.00 0.00 H new ATOM 0 HA2 GLY A 448 49.628 5.515 -20.160 1.00 0.00 H new ATOM 0 HA3 GLY A 448 48.685 6.893 -20.690 1.00 0.00 H new ATOM 501 N CYS A 449 49.757 8.603 -19.039 1.00 0.00 N ATOM 502 CA CYS A 449 50.622 9.601 -18.434 1.00 0.00 C ATOM 503 C CYS A 449 50.273 9.776 -16.957 1.00 0.00 C ATOM 504 O CYS A 449 50.807 10.643 -16.292 1.00 0.00 O ATOM 505 CB CYS A 449 50.488 10.933 -19.172 1.00 0.00 C ATOM 506 SG CYS A 449 50.793 10.815 -20.948 1.00 0.00 S ATOM 0 H CYS A 449 48.844 8.956 -19.325 1.00 0.00 H new ATOM 0 HA CYS A 449 51.655 9.262 -18.511 1.00 0.00 H new ATOM 0 HB2 CYS A 449 49.485 11.328 -19.010 1.00 0.00 H new ATOM 0 HB3 CYS A 449 51.186 11.649 -18.739 1.00 0.00 H new ATOM 0 HG CYS A 449 50.656 11.988 -21.491 1.00 0.00 H new ATOM 512 N MET A 450 49.342 8.942 -16.477 1.00 0.00 N ATOM 513 CA MET A 450 48.901 8.932 -15.066 1.00 0.00 C ATOM 514 C MET A 450 48.125 10.216 -14.683 1.00 0.00 C ATOM 515 O MET A 450 47.754 10.415 -13.521 1.00 0.00 O ATOM 516 CB MET A 450 50.097 8.714 -14.104 1.00 0.00 C ATOM 517 CG MET A 450 49.670 8.465 -12.667 1.00 0.00 C ATOM 518 SD MET A 450 51.016 8.485 -11.477 1.00 0.00 S ATOM 519 CE MET A 450 51.908 7.010 -11.934 1.00 0.00 C ATOM 0 H MET A 450 48.867 8.249 -17.056 1.00 0.00 H new ATOM 0 HA MET A 450 48.214 8.092 -14.961 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.686 7.866 -14.453 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.746 9.589 -14.137 1.00 0.00 H new ATOM 0 HG2 MET A 450 48.939 9.221 -12.382 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.168 7.499 -12.612 1.00 0.00 H new ATOM 0 HE1 MET A 450 52.731 6.852 -11.237 1.00 0.00 H new ATOM 0 HE2 MET A 450 51.235 6.153 -11.902 1.00 0.00 H new ATOM 0 HE3 MET A 450 52.304 7.122 -12.943 1.00 0.00 H new ATOM 529 N HIS A 451 47.858 11.057 -15.655 1.00 0.00 N ATOM 530 CA HIS A 451 47.147 12.296 -15.397 1.00 0.00 C ATOM 531 C HIS A 451 45.667 12.096 -15.674 1.00 0.00 C ATOM 532 O HIS A 451 45.227 12.145 -16.822 1.00 0.00 O ATOM 533 CB HIS A 451 47.717 13.437 -16.257 1.00 0.00 C ATOM 534 CG HIS A 451 47.316 14.817 -15.806 1.00 0.00 C ATOM 535 ND1 HIS A 451 48.224 15.670 -15.227 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.117 15.441 -15.891 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.561 16.786 -14.975 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.283 16.696 -15.361 1.00 0.00 N ATOM 0 H HIS A 451 48.120 10.910 -16.630 1.00 0.00 H new ATOM 0 HA HIS A 451 47.277 12.573 -14.351 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.805 13.369 -16.254 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.392 13.296 -17.288 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.205 15.030 -16.298 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.997 17.661 -14.515 1.00 0.00 H new ATOM 0 HE2 HIS A 451 45.570 17.420 -15.277 1.00 0.00 H new ATOM 546 N MET A 452 44.908 11.841 -14.630 1.00 0.00 N ATOM 547 CA MET A 452 43.501 11.579 -14.773 1.00 0.00 C ATOM 548 C MET A 452 42.684 12.827 -14.440 1.00 0.00 C ATOM 549 O MET A 452 42.869 13.446 -13.393 1.00 0.00 O ATOM 550 CB MET A 452 43.099 10.397 -13.893 1.00 0.00 C ATOM 551 CG MET A 452 41.863 9.687 -14.385 1.00 0.00 C ATOM 552 SD MET A 452 41.586 8.073 -13.622 1.00 0.00 S ATOM 553 CE MET A 452 41.982 8.383 -11.917 1.00 0.00 C ATOM 0 H MET A 452 45.249 11.811 -13.669 1.00 0.00 H new ATOM 0 HA MET A 452 43.291 11.318 -15.810 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.925 9.687 -13.849 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.927 10.750 -12.876 1.00 0.00 H new ATOM 0 HG2 MET A 452 40.995 10.319 -14.198 1.00 0.00 H new ATOM 0 HG3 MET A 452 41.937 9.559 -15.465 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.340 7.776 -11.278 1.00 0.00 H new ATOM 0 HE2 MET A 452 43.025 8.125 -11.733 1.00 0.00 H new ATOM 0 HE3 MET A 452 41.824 9.438 -11.693 1.00 0.00 H new ATOM 563 N VAL A 453 41.794 13.198 -15.346 1.00 0.00 N ATOM 564 CA VAL A 453 40.986 14.401 -15.190 1.00 0.00 C ATOM 565 C VAL A 453 39.502 14.069 -15.133 1.00 0.00 C ATOM 566 O VAL A 453 39.000 13.275 -15.943 1.00 0.00 O ATOM 567 CB VAL A 453 41.210 15.372 -16.375 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.427 16.665 -16.183 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.688 15.656 -16.566 1.00 0.00 C ATOM 0 H VAL A 453 41.610 12.680 -16.205 1.00 0.00 H new ATOM 0 HA VAL A 453 41.295 14.867 -14.255 1.00 0.00 H new ATOM 0 HB VAL A 453 40.837 14.890 -17.279 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.604 17.327 -17.031 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.363 16.439 -16.115 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.753 17.155 -15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.822 16.340 -17.404 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.092 16.108 -15.660 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.214 14.724 -16.772 1.00 0.00 H new ATOM 579 N CYS A 454 38.800 14.678 -14.184 1.00 0.00 N ATOM 580 CA CYS A 454 37.363 14.524 -14.082 1.00 0.00 C ATOM 581 C CYS A 454 36.718 15.310 -15.204 1.00 0.00 C ATOM 582 O CYS A 454 36.585 16.535 -15.130 1.00 0.00 O ATOM 583 CB CYS A 454 36.855 15.016 -12.722 1.00 0.00 C ATOM 584 SG CYS A 454 35.058 14.770 -12.439 1.00 0.00 S ATOM 0 H CYS A 454 39.210 15.285 -13.474 1.00 0.00 H new ATOM 0 HA CYS A 454 37.102 13.469 -14.167 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.407 14.501 -11.936 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.082 16.078 -12.627 1.00 0.00 H new ATOM 589 N THR A 455 36.346 14.611 -16.247 1.00 0.00 N ATOM 590 CA THR A 455 35.776 15.226 -17.426 1.00 0.00 C ATOM 591 C THR A 455 34.288 15.556 -17.240 1.00 0.00 C ATOM 592 O THR A 455 33.578 15.845 -18.207 1.00 0.00 O ATOM 593 CB THR A 455 36.003 14.328 -18.674 1.00 0.00 C ATOM 594 OG1 THR A 455 35.292 14.830 -19.818 1.00 0.00 O ATOM 595 CG2 THR A 455 35.589 12.901 -18.389 1.00 0.00 C ATOM 0 H THR A 455 36.429 13.596 -16.305 1.00 0.00 H new ATOM 0 HA THR A 455 36.292 16.173 -17.586 1.00 0.00 H new ATOM 0 HB THR A 455 37.069 14.347 -18.902 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.552 15.399 -19.519 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.756 12.290 -19.276 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.180 12.509 -17.561 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.532 12.875 -18.124 1.00 0.00 H new ATOM 603 N ARG A 456 33.829 15.545 -15.992 1.00 0.00 N ATOM 604 CA ARG A 456 32.454 15.892 -15.689 1.00 0.00 C ATOM 605 C ARG A 456 32.154 17.309 -16.178 1.00 0.00 C ATOM 606 O ARG A 456 32.965 18.222 -15.990 1.00 0.00 O ATOM 607 CB ARG A 456 32.191 15.804 -14.183 1.00 0.00 C ATOM 608 CG ARG A 456 30.825 16.330 -13.774 1.00 0.00 C ATOM 609 CD ARG A 456 30.710 16.495 -12.272 1.00 0.00 C ATOM 610 NE ARG A 456 29.495 17.223 -11.908 1.00 0.00 N ATOM 611 CZ ARG A 456 29.333 17.913 -10.775 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.276 17.916 -9.843 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.219 18.598 -10.577 1.00 0.00 N ATOM 0 H ARG A 456 34.393 15.299 -15.178 1.00 0.00 H new ATOM 0 HA ARG A 456 31.802 15.184 -16.200 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.281 14.765 -13.867 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.961 16.366 -13.654 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.645 17.289 -14.259 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.052 15.645 -14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.705 15.515 -11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.583 17.028 -11.895 1.00 0.00 H new ATOM 0 HE ARG A 456 28.716 17.203 -12.566 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.137 17.388 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.141 18.447 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.487 18.598 -11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.092 19.126 -9.714 1.00 0.00 H new ATOM 627 N ALA A 457 31.001 17.484 -16.809 1.00 0.00 N ATOM 628 CA ALA A 457 30.596 18.787 -17.311 1.00 0.00 C ATOM 629 C ALA A 457 30.396 19.763 -16.160 1.00 0.00 C ATOM 630 O ALA A 457 29.411 19.683 -15.425 1.00 0.00 O ATOM 631 CB ALA A 457 29.326 18.668 -18.136 1.00 0.00 C ATOM 0 H ALA A 457 30.329 16.737 -16.985 1.00 0.00 H new ATOM 0 HA ALA A 457 31.389 19.171 -17.953 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.037 19.653 -18.504 1.00 0.00 H new ATOM 0 HB2 ALA A 457 29.502 18.002 -18.981 1.00 0.00 H new ATOM 0 HB3 ALA A 457 28.526 18.263 -17.516 1.00 0.00 H new ATOM 637 N GLY A 458 31.346 20.662 -15.994 1.00 0.00 N ATOM 638 CA GLY A 458 31.271 21.625 -14.925 1.00 0.00 C ATOM 639 C GLY A 458 32.356 21.412 -13.893 1.00 0.00 C ATOM 640 O GLY A 458 32.465 22.170 -12.925 1.00 0.00 O ATOM 0 H GLY A 458 32.173 20.742 -16.585 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.355 22.631 -15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.295 21.558 -14.444 1.00 0.00 H new ATOM 644 N CYS A 459 33.167 20.382 -14.086 1.00 0.00 N ATOM 645 CA CYS A 459 34.236 20.086 -13.155 1.00 0.00 C ATOM 646 C CYS A 459 35.593 20.424 -13.755 1.00 0.00 C ATOM 647 O CYS A 459 36.132 21.507 -13.510 1.00 0.00 O ATOM 648 CB CYS A 459 34.191 18.620 -12.717 1.00 0.00 C ATOM 649 SG CYS A 459 35.383 18.197 -11.409 1.00 0.00 S ATOM 0 H CYS A 459 33.102 19.742 -14.877 1.00 0.00 H new ATOM 0 HA CYS A 459 34.090 20.710 -12.273 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.186 18.388 -12.366 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.380 17.987 -13.584 1.00 0.00 H new ATOM 654 N GLY A 460 36.138 19.504 -14.542 1.00 0.00 N ATOM 655 CA GLY A 460 37.444 19.717 -15.138 1.00 0.00 C ATOM 656 C GLY A 460 38.544 19.645 -14.098 1.00 0.00 C ATOM 657 O GLY A 460 39.589 20.281 -14.237 1.00 0.00 O ATOM 0 H GLY A 460 35.699 18.614 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.620 18.967 -15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.468 20.690 -15.628 1.00 0.00 H new ATOM 661 N PHE A 461 38.296 18.877 -13.053 1.00 0.00 N ATOM 662 CA PHE A 461 39.234 18.733 -11.958 1.00 0.00 C ATOM 663 C PHE A 461 40.330 17.736 -12.306 1.00 0.00 C ATOM 664 O PHE A 461 40.052 16.614 -12.722 1.00 0.00 O ATOM 665 CB PHE A 461 38.486 18.287 -10.701 1.00 0.00 C ATOM 666 CG PHE A 461 39.331 18.178 -9.475 1.00 0.00 C ATOM 667 CD1 PHE A 461 39.693 19.308 -8.767 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.751 16.942 -9.019 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.456 19.207 -7.627 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.516 16.835 -7.883 1.00 0.00 C ATOM 671 CZ PHE A 461 40.869 17.968 -7.187 1.00 0.00 C ATOM 0 H PHE A 461 37.439 18.336 -12.941 1.00 0.00 H new ATOM 0 HA PHE A 461 39.708 19.697 -11.773 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.678 18.992 -10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.024 17.319 -10.894 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.374 20.280 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.474 16.050 -9.562 1.00 0.00 H new ATOM 0 HE1 PHE A 461 40.731 20.096 -7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 461 40.839 15.864 -7.537 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.471 17.886 -6.294 1.00 0.00 H new ATOM 681 N GLU A 462 41.566 18.151 -12.141 1.00 0.00 N ATOM 682 CA GLU A 462 42.700 17.297 -12.435 1.00 0.00 C ATOM 683 C GLU A 462 43.296 16.758 -11.145 1.00 0.00 C ATOM 684 O GLU A 462 43.507 17.510 -10.188 1.00 0.00 O ATOM 685 CB GLU A 462 43.756 18.073 -13.218 1.00 0.00 C ATOM 686 CG GLU A 462 43.207 18.780 -14.443 1.00 0.00 C ATOM 687 CD GLU A 462 44.269 19.535 -15.197 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.527 20.707 -14.854 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.855 18.963 -16.139 1.00 0.00 O ATOM 0 H GLU A 462 41.815 19.081 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 462 42.360 16.459 -13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.216 18.810 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.544 17.386 -13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.747 18.047 -15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.421 19.471 -14.138 1.00 0.00 H new ATOM 696 N TRP A 463 43.547 15.467 -11.112 1.00 0.00 N ATOM 697 CA TRP A 463 44.097 14.828 -9.933 1.00 0.00 C ATOM 698 C TRP A 463 45.075 13.727 -10.311 1.00 0.00 C ATOM 699 O TRP A 463 44.908 13.056 -11.335 1.00 0.00 O ATOM 700 CB TRP A 463 42.973 14.301 -9.009 1.00 0.00 C ATOM 701 CG TRP A 463 41.837 13.579 -9.706 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.990 14.087 -10.659 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.396 12.236 -9.465 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.074 13.138 -11.034 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.296 11.997 -10.317 1.00 0.00 C ATOM 706 CE3 TRP A 463 41.826 11.211 -8.618 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.625 10.781 -10.342 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.155 10.005 -8.647 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.066 9.799 -9.504 1.00 0.00 C ATOM 0 H TRP A 463 43.378 14.834 -11.894 1.00 0.00 H new ATOM 0 HA TRP A 463 44.654 15.579 -9.373 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.416 13.624 -8.278 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.559 15.143 -8.454 1.00 0.00 H new ATOM 0 HD1 TRP A 463 41.038 15.090 -11.056 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.344 13.264 -11.735 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.665 11.359 -7.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.785 10.619 -11.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.476 9.205 -7.996 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.565 8.842 -9.501 1.00 0.00 H new ATOM 720 N CYS A 464 46.111 13.554 -9.499 1.00 0.00 N ATOM 721 CA CYS A 464 47.118 12.559 -9.784 1.00 0.00 C ATOM 722 C CYS A 464 46.662 11.156 -9.375 1.00 0.00 C ATOM 723 O CYS A 464 46.347 10.901 -8.224 1.00 0.00 O ATOM 724 CB CYS A 464 48.471 12.943 -9.166 1.00 0.00 C ATOM 725 SG CYS A 464 48.406 13.575 -7.458 1.00 0.00 S ATOM 0 H CYS A 464 46.269 14.090 -8.645 1.00 0.00 H new ATOM 0 HA CYS A 464 47.261 12.531 -10.864 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.121 12.068 -9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.937 13.700 -9.797 1.00 0.00 H new ATOM 730 N TRP A 465 46.669 10.266 -10.360 1.00 0.00 N ATOM 731 CA TRP A 465 46.182 8.875 -10.261 1.00 0.00 C ATOM 732 C TRP A 465 46.518 8.160 -8.933 1.00 0.00 C ATOM 733 O TRP A 465 45.620 7.659 -8.259 1.00 0.00 O ATOM 734 CB TRP A 465 46.751 8.084 -11.428 1.00 0.00 C ATOM 735 CG TRP A 465 46.200 6.715 -11.586 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.436 5.622 -10.804 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.338 6.291 -12.620 1.00 0.00 C ATOM 738 NE1 TRP A 465 45.738 4.546 -11.285 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.056 4.935 -12.405 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.767 6.937 -13.707 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.225 4.211 -13.242 1.00 0.00 C ATOM 742 CZ3 TRP A 465 43.946 6.224 -14.536 1.00 0.00 C ATOM 743 CH2 TRP A 465 43.677 4.870 -14.302 1.00 0.00 C ATOM 0 H TRP A 465 47.025 10.491 -11.289 1.00 0.00 H new ATOM 0 HA TRP A 465 45.093 8.924 -10.290 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.570 8.641 -12.347 1.00 0.00 H new ATOM 0 HB3 TRP A 465 47.832 8.013 -11.306 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.078 5.607 -9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 465 45.728 3.611 -10.876 1.00 0.00 H new ATOM 0 HE3 TRP A 465 44.967 7.982 -13.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.019 3.166 -13.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.497 6.714 -15.387 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.022 4.337 -14.975 1.00 0.00 H new ATOM 754 N VAL A 466 47.808 8.072 -8.595 1.00 0.00 N ATOM 755 CA VAL A 466 48.241 7.351 -7.381 1.00 0.00 C ATOM 756 C VAL A 466 47.610 7.942 -6.106 1.00 0.00 C ATOM 757 O VAL A 466 47.356 7.220 -5.135 1.00 0.00 O ATOM 758 CB VAL A 466 49.791 7.324 -7.247 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.229 6.519 -6.037 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.435 6.779 -8.508 1.00 0.00 C ATOM 0 H VAL A 466 48.569 8.485 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 466 47.889 6.325 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 466 50.125 8.352 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.317 6.521 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.812 6.964 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.873 5.493 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.518 6.771 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.082 5.764 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.168 7.411 -9.355 1.00 0.00 H new ATOM 770 N CYS A 467 47.337 9.238 -6.126 1.00 0.00 N ATOM 771 CA CYS A 467 46.727 9.911 -4.991 1.00 0.00 C ATOM 772 C CYS A 467 45.204 9.902 -5.129 1.00 0.00 C ATOM 773 O CYS A 467 44.651 9.182 -5.960 1.00 0.00 O ATOM 774 CB CYS A 467 47.240 11.355 -4.885 1.00 0.00 C ATOM 775 SG CYS A 467 49.031 11.498 -4.575 1.00 0.00 S ATOM 0 H CYS A 467 47.530 9.847 -6.921 1.00 0.00 H new ATOM 0 HA CYS A 467 47.002 9.377 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.001 11.881 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 467 46.703 11.860 -4.082 1.00 0.00 H new ATOM 780 N GLN A 468 44.540 10.668 -4.300 1.00 0.00 N ATOM 781 CA GLN A 468 43.089 10.784 -4.354 1.00 0.00 C ATOM 782 C GLN A 468 42.694 12.202 -3.963 1.00 0.00 C ATOM 783 O GLN A 468 41.565 12.474 -3.553 1.00 0.00 O ATOM 784 CB GLN A 468 42.447 9.754 -3.415 1.00 0.00 C ATOM 785 CG GLN A 468 40.961 9.516 -3.662 1.00 0.00 C ATOM 786 CD GLN A 468 40.413 8.386 -2.819 1.00 0.00 C ATOM 787 OE1 GLN A 468 41.135 7.445 -2.478 1.00 0.00 O ATOM 788 NE2 GLN A 468 39.144 8.462 -2.477 1.00 0.00 N ATOM 0 H GLN A 468 44.979 11.229 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 468 42.734 10.583 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.976 8.807 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 468 42.583 10.085 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 468 40.408 10.430 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 468 40.802 9.290 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 468 38.581 9.257 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 468 38.724 7.726 -1.910 1.00 0.00 H new ATOM 797 N THR A 469 43.646 13.099 -4.094 1.00 0.00 N ATOM 798 CA THR A 469 43.445 14.491 -3.776 1.00 0.00 C ATOM 799 C THR A 469 43.721 15.346 -5.001 1.00 0.00 C ATOM 800 O THR A 469 43.949 14.821 -6.085 1.00 0.00 O ATOM 801 CB THR A 469 44.362 14.930 -2.613 1.00 0.00 C ATOM 802 OG1 THR A 469 45.682 14.381 -2.793 1.00 0.00 O ATOM 803 CG2 THR A 469 43.794 14.477 -1.276 1.00 0.00 C ATOM 0 H THR A 469 44.585 12.880 -4.426 1.00 0.00 H new ATOM 0 HA THR A 469 42.409 14.625 -3.466 1.00 0.00 H new ATOM 0 HB THR A 469 44.419 16.018 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 469 46.258 14.665 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.457 14.797 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 469 42.808 14.918 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 469 43.710 13.390 -1.266 1.00 0.00 H new ATOM 811 N GLU A 470 43.694 16.653 -4.829 1.00 0.00 N ATOM 812 CA GLU A 470 43.948 17.576 -5.925 1.00 0.00 C ATOM 813 C GLU A 470 45.385 17.467 -6.413 1.00 0.00 C ATOM 814 O GLU A 470 46.257 16.951 -5.695 1.00 0.00 O ATOM 815 CB GLU A 470 43.639 19.009 -5.493 1.00 0.00 C ATOM 816 CG GLU A 470 44.398 19.459 -4.259 1.00 0.00 C ATOM 817 CD GLU A 470 43.947 20.810 -3.776 1.00 0.00 C ATOM 818 OE1 GLU A 470 44.506 21.825 -4.233 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.019 20.868 -2.936 1.00 0.00 O ATOM 0 H GLU A 470 43.498 17.105 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 470 43.291 17.308 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.872 19.684 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.570 19.097 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 470 44.262 18.726 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 470 45.464 19.492 -4.482 1.00 0.00 H new ATOM 826 N TRP A 471 45.619 17.944 -7.640 1.00 0.00 N ATOM 827 CA TRP A 471 46.939 17.929 -8.251 1.00 0.00 C ATOM 828 C TRP A 471 47.993 18.439 -7.270 1.00 0.00 C ATOM 829 O TRP A 471 47.949 19.585 -6.810 1.00 0.00 O ATOM 830 CB TRP A 471 46.950 18.748 -9.568 1.00 0.00 C ATOM 831 CG TRP A 471 46.658 20.221 -9.403 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.569 21.240 -9.427 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.377 20.837 -9.189 1.00 0.00 C ATOM 834 NE1 TRP A 471 46.937 22.442 -9.239 1.00 0.00 N ATOM 835 CE2 TRP A 471 45.594 22.224 -9.090 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.071 20.353 -9.072 1.00 0.00 C ATOM 837 CZ2 TRP A 471 44.559 23.126 -8.879 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.046 21.251 -8.862 1.00 0.00 C ATOM 839 CH2 TRP A 471 43.293 22.623 -8.766 1.00 0.00 C ATOM 0 H TRP A 471 44.894 18.350 -8.232 1.00 0.00 H new ATOM 0 HA TRP A 471 47.188 16.898 -8.503 1.00 0.00 H new ATOM 0 HB2 TRP A 471 47.926 18.637 -10.040 1.00 0.00 H new ATOM 0 HB3 TRP A 471 46.215 18.321 -10.251 1.00 0.00 H new ATOM 0 HD1 TRP A 471 48.632 21.116 -9.573 1.00 0.00 H new ATOM 0 HE1 TRP A 471 47.395 23.353 -9.214 1.00 0.00 H new ATOM 0 HE3 TRP A 471 43.868 19.295 -9.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 44.748 24.187 -8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.033 20.887 -8.770 1.00 0.00 H new ATOM 0 HH2 TRP A 471 42.468 23.299 -8.599 1.00 0.00 H new ATOM 850 N THR A 472 48.905 17.571 -6.924 1.00 0.00 N ATOM 851 CA THR A 472 49.923 17.892 -5.967 1.00 0.00 C ATOM 852 C THR A 472 51.169 18.430 -6.669 1.00 0.00 C ATOM 853 O THR A 472 51.645 17.839 -7.638 1.00 0.00 O ATOM 854 CB THR A 472 50.276 16.645 -5.140 1.00 0.00 C ATOM 855 OG1 THR A 472 49.061 16.001 -4.713 1.00 0.00 O ATOM 856 CG2 THR A 472 51.103 17.011 -3.919 1.00 0.00 C ATOM 0 H THR A 472 48.961 16.624 -7.298 1.00 0.00 H new ATOM 0 HA THR A 472 49.543 18.666 -5.300 1.00 0.00 H new ATOM 0 HB THR A 472 50.864 15.973 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 472 48.786 15.343 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.337 16.109 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 472 52.029 17.490 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 472 50.537 17.697 -3.289 1.00 0.00 H new ATOM 864 N ARG A 473 51.685 19.564 -6.190 1.00 0.00 N ATOM 865 CA ARG A 473 52.878 20.171 -6.777 1.00 0.00 C ATOM 866 C ARG A 473 54.081 19.261 -6.560 1.00 0.00 C ATOM 867 O ARG A 473 54.992 19.202 -7.385 1.00 0.00 O ATOM 868 CB ARG A 473 53.139 21.556 -6.171 1.00 0.00 C ATOM 869 CG ARG A 473 54.200 22.362 -6.906 1.00 0.00 C ATOM 870 CD ARG A 473 54.398 23.727 -6.273 1.00 0.00 C ATOM 871 NE ARG A 473 55.269 24.583 -7.081 1.00 0.00 N ATOM 872 CZ ARG A 473 55.645 25.816 -6.737 1.00 0.00 C ATOM 873 NH1 ARG A 473 55.274 26.332 -5.569 1.00 0.00 N ATOM 874 NH2 ARG A 473 56.401 26.531 -7.563 1.00 0.00 N ATOM 0 H ARG A 473 51.296 20.078 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 473 52.715 20.296 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 473 52.207 22.121 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.444 21.435 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 473 55.143 21.816 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 473 53.909 22.482 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 473 53.430 24.212 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 473 54.828 23.607 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 473 55.612 24.211 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 473 54.698 25.784 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 473 55.565 27.275 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 473 56.692 26.137 -8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 473 56.690 27.474 -7.303 1.00 0.00 H new ATOM 888 N ASP A 474 54.070 18.545 -5.445 1.00 0.00 N ATOM 889 CA ASP A 474 55.114 17.566 -5.139 1.00 0.00 C ATOM 890 C ASP A 474 55.084 16.449 -6.176 1.00 0.00 C ATOM 891 O ASP A 474 56.120 15.918 -6.573 1.00 0.00 O ATOM 892 CB ASP A 474 54.888 16.976 -3.740 1.00 0.00 C ATOM 893 CG ASP A 474 55.945 15.959 -3.335 1.00 0.00 C ATOM 894 OD1 ASP A 474 55.883 14.799 -3.807 1.00 0.00 O ATOM 895 OD2 ASP A 474 56.825 16.307 -2.523 1.00 0.00 O ATOM 0 H ASP A 474 53.346 18.622 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 474 56.085 18.060 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.875 17.786 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 474 53.907 16.502 -3.708 1.00 0.00 H new ATOM 900 N CYS A 475 53.883 16.132 -6.636 1.00 0.00 N ATOM 901 CA CYS A 475 53.671 15.073 -7.606 1.00 0.00 C ATOM 902 C CYS A 475 53.967 15.532 -9.031 1.00 0.00 C ATOM 903 O CYS A 475 53.831 14.748 -9.975 1.00 0.00 O ATOM 904 CB CYS A 475 52.241 14.562 -7.510 1.00 0.00 C ATOM 905 SG CYS A 475 51.799 13.885 -5.873 1.00 0.00 S ATOM 0 H CYS A 475 53.027 16.604 -6.345 1.00 0.00 H new ATOM 0 HA CYS A 475 54.367 14.267 -7.371 1.00 0.00 H new ATOM 0 HB2 CYS A 475 51.558 15.377 -7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 475 52.092 13.789 -8.263 1.00 0.00 H new ATOM 910 N MET A 476 54.362 16.786 -9.191 1.00 0.00 N ATOM 911 CA MET A 476 54.680 17.316 -10.507 1.00 0.00 C ATOM 912 C MET A 476 55.872 16.587 -11.100 1.00 0.00 C ATOM 913 O MET A 476 57.002 16.735 -10.634 1.00 0.00 O ATOM 914 CB MET A 476 54.946 18.823 -10.448 1.00 0.00 C ATOM 915 CG MET A 476 55.234 19.447 -11.806 1.00 0.00 C ATOM 916 SD MET A 476 55.379 21.244 -11.740 1.00 0.00 S ATOM 917 CE MET A 476 56.771 21.442 -10.630 1.00 0.00 C ATOM 0 H MET A 476 54.470 17.454 -8.428 1.00 0.00 H new ATOM 0 HA MET A 476 53.816 17.154 -11.152 1.00 0.00 H new ATOM 0 HB2 MET A 476 54.081 19.319 -10.006 1.00 0.00 H new ATOM 0 HB3 MET A 476 55.792 19.008 -9.786 1.00 0.00 H new ATOM 0 HG2 MET A 476 56.158 19.028 -12.204 1.00 0.00 H new ATOM 0 HG3 MET A 476 54.438 19.178 -12.500 1.00 0.00 H new ATOM 0 HE1 MET A 476 57.148 22.463 -10.697 1.00 0.00 H new ATOM 0 HE2 MET A 476 56.453 21.240 -9.607 1.00 0.00 H new ATOM 0 HE3 MET A 476 57.561 20.744 -10.909 1.00 0.00 H new ATOM 927 N GLY A 477 55.603 15.767 -12.098 1.00 0.00 N ATOM 928 CA GLY A 477 56.650 15.006 -12.736 1.00 0.00 C ATOM 929 C GLY A 477 56.903 13.691 -12.034 1.00 0.00 C ATOM 930 O GLY A 477 57.545 12.804 -12.582 1.00 0.00 O ATOM 0 H GLY A 477 54.670 15.614 -12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 477 56.379 14.816 -13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.568 15.593 -12.749 1.00 0.00 H new ATOM 934 N ALA A 478 56.393 13.567 -10.819 1.00 0.00 N ATOM 935 CA ALA A 478 56.556 12.353 -10.037 1.00 0.00 C ATOM 936 C ALA A 478 55.429 11.382 -10.341 1.00 0.00 C ATOM 937 O ALA A 478 55.619 10.165 -10.343 1.00 0.00 O ATOM 938 CB ALA A 478 56.599 12.679 -8.553 1.00 0.00 C ATOM 0 H ALA A 478 55.859 14.299 -10.351 1.00 0.00 H new ATOM 0 HA ALA A 478 57.501 11.883 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 478 56.721 11.759 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 478 57.437 13.346 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.669 13.167 -8.261 1.00 0.00 H new ATOM 944 N HIS A 479 54.248 11.929 -10.585 1.00 0.00 N ATOM 945 CA HIS A 479 53.098 11.127 -10.963 1.00 0.00 C ATOM 946 C HIS A 479 52.940 11.116 -12.465 1.00 0.00 C ATOM 947 O HIS A 479 53.242 10.123 -13.123 1.00 0.00 O ATOM 948 CB HIS A 479 51.814 11.664 -10.344 1.00 0.00 C ATOM 949 CG HIS A 479 51.515 11.192 -8.956 1.00 0.00 C ATOM 950 ND1 HIS A 479 50.316 10.625 -8.602 1.00 0.00 N ATOM 951 CD2 HIS A 479 52.224 11.298 -7.812 1.00 0.00 C ATOM 952 CE1 HIS A 479 50.324 10.426 -7.290 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.454 10.815 -6.755 1.00 0.00 N ATOM 0 H HIS A 479 54.062 12.930 -10.527 1.00 0.00 H new ATOM 0 HA HIS A 479 53.273 10.116 -10.594 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.865 12.753 -10.335 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.979 11.390 -10.989 1.00 0.00 H new ATOM 0 HD2 HIS A 479 53.226 11.693 -7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 479 49.503 9.998 -6.734 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.716 10.773 -5.770 1.00 0.00 H new ATOM 961 N TRP A 480 52.470 12.240 -13.008 1.00 0.00 N ATOM 962 CA TRP A 480 52.231 12.338 -14.426 1.00 0.00 C ATOM 963 C TRP A 480 53.505 12.198 -15.232 1.00 0.00 C ATOM 964 O TRP A 480 54.602 12.507 -14.744 1.00 0.00 O ATOM 965 CB TRP A 480 51.475 13.610 -14.811 1.00 0.00 C ATOM 966 CG TRP A 480 51.896 14.844 -14.090 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.931 15.675 -14.398 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.258 15.396 -12.950 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.972 16.719 -13.506 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.947 16.569 -12.606 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.163 15.003 -12.190 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.568 17.361 -11.521 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.786 15.786 -11.114 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.486 16.954 -10.791 1.00 0.00 C ATOM 0 H TRP A 480 52.252 13.085 -12.480 1.00 0.00 H new ATOM 0 HA TRP A 480 51.587 11.495 -14.677 1.00 0.00 H new ATOM 0 HB2 TRP A 480 51.597 13.775 -15.882 1.00 0.00 H new ATOM 0 HB3 TRP A 480 50.412 13.449 -14.632 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.617 15.534 -15.220 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.652 17.480 -13.512 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.617 14.104 -12.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 52.109 18.261 -11.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.938 15.491 -10.514 1.00 0.00 H new ATOM 0 HH2 TRP A 480 50.165 17.546 -9.947 1.00 0.00 H new ATOM 985 N PHE A 481 53.337 11.703 -16.460 1.00 0.00 N ATOM 986 CA PHE A 481 54.424 11.451 -17.407 1.00 0.00 C ATOM 987 C PHE A 481 55.148 10.146 -17.070 1.00 0.00 C ATOM 988 O PHE A 481 55.526 9.385 -17.969 1.00 0.00 O ATOM 989 CB PHE A 481 55.394 12.640 -17.487 1.00 0.00 C ATOM 990 CG PHE A 481 56.460 12.492 -18.530 1.00 0.00 C ATOM 991 CD1 PHE A 481 56.121 12.359 -19.863 1.00 0.00 C ATOM 992 CD2 PHE A 481 57.798 12.498 -18.178 1.00 0.00 C ATOM 993 CE1 PHE A 481 57.098 12.234 -20.830 1.00 0.00 C ATOM 994 CE2 PHE A 481 58.781 12.371 -19.139 1.00 0.00 C ATOM 995 CZ PHE A 481 58.430 12.239 -20.468 1.00 0.00 C ATOM 0 H PHE A 481 52.419 11.461 -16.832 1.00 0.00 H new ATOM 0 HA PHE A 481 53.984 11.338 -18.398 1.00 0.00 H new ATOM 0 HB2 PHE A 481 54.824 13.547 -17.691 1.00 0.00 H new ATOM 0 HB3 PHE A 481 55.868 12.774 -16.515 1.00 0.00 H new ATOM 0 HD1 PHE A 481 55.080 12.353 -20.151 1.00 0.00 H new ATOM 0 HD2 PHE A 481 58.077 12.603 -17.140 1.00 0.00 H new ATOM 0 HE1 PHE A 481 56.821 12.132 -21.869 1.00 0.00 H new ATOM 0 HE2 PHE A 481 59.822 12.375 -18.852 1.00 0.00 H new ATOM 0 HZ PHE A 481 59.196 12.140 -21.223 1.00 0.00 H new ATOM 1005 N GLY A 482 55.321 9.884 -15.788 1.00 0.00 N ATOM 1006 CA GLY A 482 55.936 8.654 -15.360 1.00 0.00 C ATOM 1007 C GLY A 482 57.140 8.886 -14.489 1.00 0.00 C ATOM 1008 O GLY A 482 57.842 9.897 -14.690 1.00 0.00 O ATOM 1009 OXT GLY A 482 57.397 8.059 -13.593 1.00 0.00 O ATOM 0 H GLY A 482 55.043 10.508 -15.031 1.00 0.00 H new ATOM 0 HA2 GLY A 482 55.206 8.057 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 482 56.231 8.075 -16.235 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.910 16.120 -10.610 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 49.997 12.672 -6.170 1.00 0.00 ZN