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 44:sc= 0.128 USER MOD Single : A -1 GLY N :NH3+ 172:sc= -0.0478 (180deg=-0.158) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.657 X(o=-0.66,f=-1) USER MOD Single : A 428 THR OG1 : rot -129:sc= 0.471 USER MOD Single : A 430 LYS NZ :NH3+ -124:sc= 0.176 (180deg=-0.351) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot -140:sc= -0.0387 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ 163:sc= -0.0376 (180deg=-0.334) USER MOD Single : A 441 THR OG1 : rot 98:sc= -0.685! USER MOD Single : A 443 THR OG1 : rot 87:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 451 HIS : no HE2:sc= -1.84! C(o=-1.8!,f=-3.3!) USER MOD Single : A 452 MET CE :methyl 139:sc= -3.65! (180deg=-5.54!) USER MOD Single : A 455 THR OG1 : rot -34:sc= 1.11 USER MOD Single : A 468 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.1) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 472 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 476 MET CE :methyl -113:sc= -2.16! (180deg=-3.35!) USER MOD Single : A 479 HIS : no HD1:sc= -3.75! X(o=-3.7!,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 8.113 -0.730 6.246 1.00 0.00 N ATOM 2 CA GLY A -1 9.415 -0.675 6.946 1.00 0.00 C ATOM 3 C GLY A -1 10.439 -1.623 6.345 1.00 0.00 C ATOM 4 O GLY A -1 11.354 -2.079 7.039 1.00 0.00 O ATOM 0 H1 GLY A -1 7.412 -0.171 6.773 1.00 0.00 H new ATOM 0 H2 GLY A -1 8.217 -0.340 5.287 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.793 -1.718 6.185 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.801 0.344 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.269 -0.922 7.998 1.00 0.00 H new ATOM 10 N SER A 0 10.298 -1.919 5.064 1.00 0.00 N ATOM 11 CA SER A 0 11.211 -2.818 4.391 1.00 0.00 C ATOM 12 C SER A 0 12.394 -2.052 3.809 1.00 0.00 C ATOM 13 O SER A 0 12.246 -1.294 2.849 1.00 0.00 O ATOM 14 CB SER A 0 10.469 -3.593 3.298 1.00 0.00 C ATOM 15 OG SER A 0 9.680 -2.723 2.496 1.00 0.00 O ATOM 0 H SER A 0 9.557 -1.547 4.470 1.00 0.00 H new ATOM 0 HA SER A 0 11.602 -3.530 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 0 11.188 -4.119 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.831 -4.350 3.754 1.00 0.00 H new ATOM 0 HG SER A 0 10.198 -1.920 2.277 1.00 0.00 H new ATOM 21 N ALA A 417 13.559 -2.239 4.398 1.00 0.00 N ATOM 22 CA ALA A 417 14.757 -1.563 3.939 1.00 0.00 C ATOM 23 C ALA A 417 15.437 -2.368 2.846 1.00 0.00 C ATOM 24 O ALA A 417 15.700 -3.564 3.017 1.00 0.00 O ATOM 25 CB ALA A 417 15.709 -1.326 5.099 1.00 0.00 C ATOM 0 H ALA A 417 13.702 -2.855 5.198 1.00 0.00 H new ATOM 0 HA ALA A 417 14.471 -0.596 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 417 16.603 -0.818 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 417 15.219 -0.708 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 417 15.989 -2.282 5.541 1.00 0.00 H new ATOM 31 N GLU A 418 15.700 -1.725 1.723 1.00 0.00 N ATOM 32 CA GLU A 418 16.354 -2.370 0.596 1.00 0.00 C ATOM 33 C GLU A 418 17.329 -1.408 -0.069 1.00 0.00 C ATOM 34 O GLU A 418 16.930 -0.349 -0.565 1.00 0.00 O ATOM 35 CB GLU A 418 15.320 -2.862 -0.428 1.00 0.00 C ATOM 36 CG GLU A 418 14.418 -3.977 0.086 1.00 0.00 C ATOM 37 CD GLU A 418 13.394 -4.425 -0.930 1.00 0.00 C ATOM 38 OE1 GLU A 418 13.767 -5.136 -1.885 1.00 0.00 O ATOM 39 OE2 GLU A 418 12.202 -4.084 -0.769 1.00 0.00 O ATOM 0 H GLU A 418 15.468 -0.744 1.565 1.00 0.00 H new ATOM 0 HA GLU A 418 16.905 -3.232 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 418 14.700 -2.020 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 418 15.844 -3.213 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 418 15.033 -4.830 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 418 13.904 -3.636 0.985 1.00 0.00 H new ATOM 46 N ALA A 419 18.603 -1.769 -0.066 1.00 0.00 N ATOM 47 CA ALA A 419 19.636 -0.946 -0.678 1.00 0.00 C ATOM 48 C ALA A 419 19.669 -1.154 -2.187 1.00 0.00 C ATOM 49 O ALA A 419 18.735 -1.707 -2.768 1.00 0.00 O ATOM 50 CB ALA A 419 20.993 -1.268 -0.073 1.00 0.00 C ATOM 0 H ALA A 419 18.948 -2.631 0.356 1.00 0.00 H new ATOM 0 HA ALA A 419 19.402 0.100 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 419 21.756 -0.645 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 419 20.969 -1.071 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 419 21.227 -2.319 -0.244 1.00 0.00 H new ATOM 56 N ARG A 420 20.736 -0.702 -2.817 1.00 0.00 N ATOM 57 CA ARG A 420 20.885 -0.843 -4.248 1.00 0.00 C ATOM 58 C ARG A 420 21.836 -1.980 -4.582 1.00 0.00 C ATOM 59 O ARG A 420 22.889 -2.128 -3.955 1.00 0.00 O ATOM 60 CB ARG A 420 21.406 0.454 -4.858 1.00 0.00 C ATOM 61 CG ARG A 420 21.567 0.395 -6.370 1.00 0.00 C ATOM 62 CD ARG A 420 22.295 1.612 -6.903 1.00 0.00 C ATOM 63 NE ARG A 420 23.655 1.711 -6.369 1.00 0.00 N ATOM 64 CZ ARG A 420 24.651 2.360 -6.970 1.00 0.00 C ATOM 65 NH1 ARG A 420 24.445 2.975 -8.131 1.00 0.00 N ATOM 66 NH2 ARG A 420 25.854 2.393 -6.412 1.00 0.00 N ATOM 0 H ARG A 420 21.515 -0.232 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 420 19.905 -1.069 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 420 20.723 1.265 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 420 22.369 0.696 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 420 22.116 -0.506 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 420 20.585 0.324 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 420 22.335 1.564 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 420 21.737 2.512 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 420 23.852 1.253 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 420 23.522 2.951 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 420 25.210 3.471 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 420 26.017 1.921 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 420 26.616 2.890 -6.873 1.00 0.00 H new ATOM 80 N TRP A 421 21.466 -2.781 -5.559 1.00 0.00 N ATOM 81 CA TRP A 421 22.305 -3.868 -6.015 1.00 0.00 C ATOM 82 C TRP A 421 22.726 -3.629 -7.456 1.00 0.00 C ATOM 83 O TRP A 421 22.032 -4.033 -8.398 1.00 0.00 O ATOM 84 CB TRP A 421 21.588 -5.216 -5.877 1.00 0.00 C ATOM 85 CG TRP A 421 21.311 -5.599 -4.455 1.00 0.00 C ATOM 86 CD1 TRP A 421 22.162 -6.236 -3.601 1.00 0.00 C ATOM 87 CD2 TRP A 421 20.102 -5.370 -3.721 1.00 0.00 C ATOM 88 NE1 TRP A 421 21.557 -6.419 -2.383 1.00 0.00 N ATOM 89 CE2 TRP A 421 20.293 -5.894 -2.430 1.00 0.00 C ATOM 90 CE3 TRP A 421 18.879 -4.772 -4.030 1.00 0.00 C ATOM 91 CZ2 TRP A 421 19.306 -5.840 -1.449 1.00 0.00 C ATOM 92 CZ3 TRP A 421 17.901 -4.719 -3.055 1.00 0.00 C ATOM 93 CH2 TRP A 421 18.119 -5.248 -1.780 1.00 0.00 C ATOM 0 H TRP A 421 20.580 -2.697 -6.057 1.00 0.00 H new ATOM 0 HA TRP A 421 23.196 -3.902 -5.388 1.00 0.00 H new ATOM 0 HB2 TRP A 421 20.647 -5.176 -6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 421 22.196 -5.992 -6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 421 23.165 -6.551 -3.847 1.00 0.00 H new ATOM 0 HE1 TRP A 421 21.980 -6.873 -1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 421 18.701 -4.359 -5.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 19.472 -6.250 -0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 16.950 -4.260 -3.283 1.00 0.00 H new ATOM 0 HH2 TRP A 421 17.334 -5.188 -1.041 1.00 0.00 H new ATOM 104 N ASP A 422 23.836 -2.937 -7.623 1.00 0.00 N ATOM 105 CA ASP A 422 24.365 -2.622 -8.943 1.00 0.00 C ATOM 106 C ASP A 422 25.866 -2.845 -8.972 1.00 0.00 C ATOM 107 O ASP A 422 26.651 -1.953 -8.627 1.00 0.00 O ATOM 108 CB ASP A 422 24.036 -1.174 -9.329 1.00 0.00 C ATOM 109 CG ASP A 422 24.503 -0.821 -10.728 1.00 0.00 C ATOM 110 OD1 ASP A 422 23.924 -1.341 -11.699 1.00 0.00 O ATOM 111 OD2 ASP A 422 25.442 -0.005 -10.868 1.00 0.00 O ATOM 0 H ASP A 422 24.398 -2.576 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 422 23.895 -3.285 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 422 22.959 -1.020 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 422 24.502 -0.497 -8.613 1.00 0.00 H new ATOM 116 N GLU A 423 26.262 -4.041 -9.346 1.00 0.00 N ATOM 117 CA GLU A 423 27.664 -4.403 -9.393 1.00 0.00 C ATOM 118 C GLU A 423 28.162 -4.420 -10.829 1.00 0.00 C ATOM 119 O GLU A 423 27.784 -5.285 -11.617 1.00 0.00 O ATOM 120 CB GLU A 423 27.886 -5.769 -8.741 1.00 0.00 C ATOM 121 CG GLU A 423 27.505 -5.825 -7.267 1.00 0.00 C ATOM 122 CD GLU A 423 28.367 -4.930 -6.401 1.00 0.00 C ATOM 123 OE1 GLU A 423 29.551 -5.271 -6.178 1.00 0.00 O ATOM 124 OE2 GLU A 423 27.866 -3.891 -5.918 1.00 0.00 O ATOM 0 H GLU A 423 25.626 -4.788 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 423 28.230 -3.655 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 423 27.307 -6.517 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 423 28.936 -6.042 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 423 26.461 -5.533 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 423 27.588 -6.853 -6.914 1.00 0.00 H new ATOM 131 N ALA A 424 29.004 -3.467 -11.164 1.00 0.00 N ATOM 132 CA ALA A 424 29.552 -3.364 -12.506 1.00 0.00 C ATOM 133 C ALA A 424 30.819 -4.195 -12.642 1.00 0.00 C ATOM 134 O ALA A 424 31.322 -4.413 -13.747 1.00 0.00 O ATOM 135 CB ALA A 424 29.840 -1.910 -12.842 1.00 0.00 C ATOM 0 H ALA A 424 29.329 -2.744 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 424 28.814 -3.753 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 424 30.250 -1.844 -13.850 1.00 0.00 H new ATOM 0 HB2 ALA A 424 28.916 -1.334 -12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 424 30.560 -1.508 -12.130 1.00 0.00 H new ATOM 141 N SER A 425 31.331 -4.655 -11.517 1.00 0.00 N ATOM 142 CA SER A 425 32.544 -5.440 -11.499 1.00 0.00 C ATOM 143 C SER A 425 32.272 -6.895 -11.895 1.00 0.00 C ATOM 144 O SER A 425 32.140 -7.776 -11.043 1.00 0.00 O ATOM 145 CB SER A 425 33.194 -5.373 -10.117 1.00 0.00 C ATOM 146 OG SER A 425 33.363 -4.023 -9.703 1.00 0.00 O ATOM 0 H SER A 425 30.919 -4.495 -10.597 1.00 0.00 H new ATOM 0 HA SER A 425 33.231 -5.019 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 425 32.576 -5.905 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 425 34.161 -5.875 -10.141 1.00 0.00 H new ATOM 0 HG SER A 425 33.779 -4.003 -8.816 1.00 0.00 H new ATOM 152 N ASN A 426 32.151 -7.128 -13.191 1.00 0.00 N ATOM 153 CA ASN A 426 31.939 -8.471 -13.703 1.00 0.00 C ATOM 154 C ASN A 426 33.274 -9.180 -13.881 1.00 0.00 C ATOM 155 O ASN A 426 33.659 -10.005 -13.059 1.00 0.00 O ATOM 156 CB ASN A 426 31.171 -8.437 -15.031 1.00 0.00 C ATOM 157 CG ASN A 426 30.931 -9.827 -15.596 1.00 0.00 C ATOM 158 OD1 ASN A 426 30.777 -10.796 -14.851 1.00 0.00 O ATOM 159 ND2 ASN A 426 30.906 -9.935 -16.910 1.00 0.00 N ATOM 0 H ASN A 426 32.196 -6.404 -13.908 1.00 0.00 H new ATOM 0 HA ASN A 426 31.339 -9.023 -12.980 1.00 0.00 H new ATOM 0 HB2 ASN A 426 30.214 -7.938 -14.881 1.00 0.00 H new ATOM 0 HB3 ASN A 426 31.729 -7.844 -15.756 1.00 0.00 H new ATOM 0 HD21 ASN A 426 30.755 -10.846 -17.344 1.00 0.00 H new ATOM 0 HD22 ASN A 426 31.038 -9.108 -17.492 1.00 0.00 H new ATOM 166 N VAL A 427 33.982 -8.846 -14.948 1.00 0.00 N ATOM 167 CA VAL A 427 35.293 -9.416 -15.203 1.00 0.00 C ATOM 168 C VAL A 427 36.303 -8.298 -15.392 1.00 0.00 C ATOM 169 O VAL A 427 36.531 -7.834 -16.513 1.00 0.00 O ATOM 170 CB VAL A 427 35.301 -10.332 -16.459 1.00 0.00 C ATOM 171 CG1 VAL A 427 36.657 -11.001 -16.633 1.00 0.00 C ATOM 172 CG2 VAL A 427 34.199 -11.377 -16.379 1.00 0.00 C ATOM 0 H VAL A 427 33.668 -8.180 -15.654 1.00 0.00 H new ATOM 0 HA VAL A 427 35.558 -10.030 -14.342 1.00 0.00 H new ATOM 0 HB VAL A 427 35.113 -9.705 -17.330 1.00 0.00 H new ATOM 0 HG11 VAL A 427 36.638 -11.637 -17.518 1.00 0.00 H new ATOM 0 HG12 VAL A 427 37.427 -10.238 -16.750 1.00 0.00 H new ATOM 0 HG13 VAL A 427 36.879 -11.608 -15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 427 34.227 -12.004 -17.270 1.00 0.00 H new ATOM 0 HG22 VAL A 427 34.348 -11.996 -15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 427 33.231 -10.881 -16.315 1.00 0.00 H new ATOM 182 N THR A 428 36.878 -7.843 -14.292 1.00 0.00 N ATOM 183 CA THR A 428 37.831 -6.763 -14.320 1.00 0.00 C ATOM 184 C THR A 428 38.292 -6.452 -12.904 1.00 0.00 C ATOM 185 O THR A 428 37.655 -6.862 -11.923 1.00 0.00 O ATOM 186 CB THR A 428 37.214 -5.478 -14.951 1.00 0.00 C ATOM 187 OG1 THR A 428 38.253 -4.592 -15.385 1.00 0.00 O ATOM 188 CG2 THR A 428 36.338 -4.747 -13.942 1.00 0.00 C ATOM 0 H THR A 428 36.694 -8.215 -13.360 1.00 0.00 H new ATOM 0 HA THR A 428 38.677 -7.076 -14.932 1.00 0.00 H new ATOM 0 HB THR A 428 36.606 -5.783 -15.803 1.00 0.00 H new ATOM 0 HG1 THR A 428 38.086 -3.693 -15.031 1.00 0.00 H new ATOM 0 HG21 THR A 428 35.918 -3.854 -14.404 1.00 0.00 H new ATOM 0 HG22 THR A 428 35.529 -5.403 -13.620 1.00 0.00 H new ATOM 0 HG23 THR A 428 36.939 -4.461 -13.079 1.00 0.00 H new ATOM 196 N ILE A 429 39.384 -5.737 -12.799 1.00 0.00 N ATOM 197 CA ILE A 429 39.902 -5.329 -11.516 1.00 0.00 C ATOM 198 C ILE A 429 39.502 -3.884 -11.233 1.00 0.00 C ATOM 199 O ILE A 429 39.430 -3.453 -10.082 1.00 0.00 O ATOM 200 CB ILE A 429 41.441 -5.463 -11.478 1.00 0.00 C ATOM 201 CG1 ILE A 429 41.997 -5.091 -10.095 1.00 0.00 C ATOM 202 CG2 ILE A 429 42.081 -4.616 -12.573 1.00 0.00 C ATOM 203 CD1 ILE A 429 43.509 -5.116 -10.013 1.00 0.00 C ATOM 0 H ILE A 429 39.937 -5.422 -13.596 1.00 0.00 H new ATOM 0 HA ILE A 429 39.480 -5.980 -10.750 1.00 0.00 H new ATOM 0 HB ILE A 429 41.694 -6.507 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 429 41.645 -4.094 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 429 41.592 -5.780 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 429 43.165 -4.724 -12.530 1.00 0.00 H new ATOM 0 HG22 ILE A 429 41.722 -4.949 -13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 429 41.814 -3.569 -12.426 1.00 0.00 H new ATOM 0 HD11 ILE A 429 43.823 -4.842 -9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 429 43.869 -6.118 -10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 429 43.924 -4.406 -10.728 1.00 0.00 H new ATOM 215 N LYS A 430 39.211 -3.149 -12.294 1.00 0.00 N ATOM 216 CA LYS A 430 38.863 -1.758 -12.180 1.00 0.00 C ATOM 217 C LYS A 430 37.902 -1.369 -13.289 1.00 0.00 C ATOM 218 O LYS A 430 38.091 -1.753 -14.444 1.00 0.00 O ATOM 219 CB LYS A 430 40.132 -0.914 -12.250 1.00 0.00 C ATOM 220 CG LYS A 430 39.942 0.553 -11.897 1.00 0.00 C ATOM 221 CD LYS A 430 41.277 1.290 -11.884 1.00 0.00 C ATOM 222 CE LYS A 430 42.254 0.649 -10.901 1.00 0.00 C ATOM 223 NZ LYS A 430 43.567 1.326 -10.894 1.00 0.00 N ATOM 0 H LYS A 430 39.212 -3.505 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 430 38.370 -1.582 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 430 40.874 -1.342 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 430 40.541 -0.981 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 430 39.272 1.020 -12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 430 39.467 0.637 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 430 41.708 1.284 -12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 430 41.116 2.333 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 430 41.828 0.677 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 430 42.390 -0.401 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 44.316 0.633 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 43.578 2.071 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 43.733 1.751 -9.960 1.00 0.00 H new ATOM 237 N VAL A 431 36.871 -0.630 -12.930 1.00 0.00 N ATOM 238 CA VAL A 431 35.873 -0.185 -13.891 1.00 0.00 C ATOM 239 C VAL A 431 36.433 0.890 -14.830 1.00 0.00 C ATOM 240 O VAL A 431 37.525 1.422 -14.604 1.00 0.00 O ATOM 241 CB VAL A 431 34.598 0.338 -13.190 1.00 0.00 C ATOM 242 CG1 VAL A 431 33.871 -0.802 -12.491 1.00 0.00 C ATOM 243 CG2 VAL A 431 34.946 1.433 -12.194 1.00 0.00 C ATOM 0 H VAL A 431 36.699 -0.322 -11.973 1.00 0.00 H new ATOM 0 HA VAL A 431 35.604 -1.057 -14.487 1.00 0.00 H new ATOM 0 HB VAL A 431 33.938 0.759 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 431 32.976 -0.417 -12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 431 33.588 -1.557 -13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 431 34.528 -1.249 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 431 34.036 1.788 -11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 431 35.626 1.036 -11.440 1.00 0.00 H new ATOM 0 HG23 VAL A 431 35.426 2.261 -12.716 1.00 0.00 H new ATOM 253 N SER A 432 35.664 1.210 -15.870 1.00 0.00 N ATOM 254 CA SER A 432 36.078 2.167 -16.898 1.00 0.00 C ATOM 255 C SER A 432 36.419 3.545 -16.324 1.00 0.00 C ATOM 256 O SER A 432 37.364 4.192 -16.772 1.00 0.00 O ATOM 257 CB SER A 432 34.986 2.301 -17.961 1.00 0.00 C ATOM 258 OG SER A 432 34.698 1.044 -18.563 1.00 0.00 O ATOM 0 H SER A 432 34.737 0.814 -16.025 1.00 0.00 H new ATOM 0 HA SER A 432 36.989 1.774 -17.348 1.00 0.00 H new ATOM 0 HB2 SER A 432 34.081 2.706 -17.508 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.304 3.009 -18.726 1.00 0.00 H new ATOM 0 HG SER A 432 33.996 1.157 -19.237 1.00 0.00 H new ATOM 264 N THR A 433 35.655 3.995 -15.350 1.00 0.00 N ATOM 265 CA THR A 433 35.893 5.299 -14.759 1.00 0.00 C ATOM 266 C THR A 433 35.801 5.241 -13.242 1.00 0.00 C ATOM 267 O THR A 433 35.010 4.475 -12.686 1.00 0.00 O ATOM 268 CB THR A 433 34.892 6.343 -15.292 1.00 0.00 C ATOM 269 OG1 THR A 433 33.565 5.809 -15.249 1.00 0.00 O ATOM 270 CG2 THR A 433 35.236 6.764 -16.718 1.00 0.00 C ATOM 0 H THR A 433 34.868 3.482 -14.952 1.00 0.00 H new ATOM 0 HA THR A 433 36.902 5.599 -15.041 1.00 0.00 H new ATOM 0 HB THR A 433 34.952 7.226 -14.655 1.00 0.00 H new ATOM 0 HG1 THR A 433 33.078 6.078 -16.055 1.00 0.00 H new ATOM 0 HG21 THR A 433 34.511 7.501 -17.065 1.00 0.00 H new ATOM 0 HG22 THR A 433 36.235 7.200 -16.738 1.00 0.00 H new ATOM 0 HG23 THR A 433 35.208 5.892 -17.372 1.00 0.00 H new ATOM 278 N LYS A 434 36.609 6.045 -12.575 1.00 0.00 N ATOM 279 CA LYS A 434 36.604 6.097 -11.127 1.00 0.00 C ATOM 280 C LYS A 434 35.845 7.330 -10.665 1.00 0.00 C ATOM 281 O LYS A 434 35.880 8.354 -11.325 1.00 0.00 O ATOM 282 CB LYS A 434 38.041 6.135 -10.596 1.00 0.00 C ATOM 283 CG LYS A 434 38.888 4.919 -10.963 1.00 0.00 C ATOM 284 CD LYS A 434 38.851 3.834 -9.886 1.00 0.00 C ATOM 285 CE LYS A 434 37.524 3.093 -9.842 1.00 0.00 C ATOM 286 NZ LYS A 434 37.492 2.086 -8.749 1.00 0.00 N ATOM 0 H LYS A 434 37.280 6.673 -13.017 1.00 0.00 H new ATOM 0 HA LYS A 434 36.112 5.205 -10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.531 7.031 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.011 6.226 -9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 434 38.532 4.503 -11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 434 39.919 5.233 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 434 39.655 3.120 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.041 4.287 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 434 36.713 3.808 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 434 37.352 2.598 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 36.572 1.601 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 38.250 1.390 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 37.631 2.562 -7.835 1.00 0.00 H new ATOM 300 N PRO A 435 35.125 7.239 -9.548 1.00 0.00 N ATOM 301 CA PRO A 435 34.361 8.367 -9.015 1.00 0.00 C ATOM 302 C PRO A 435 35.260 9.505 -8.513 1.00 0.00 C ATOM 303 O PRO A 435 36.192 9.280 -7.734 1.00 0.00 O ATOM 304 CB PRO A 435 33.571 7.754 -7.854 1.00 0.00 C ATOM 305 CG PRO A 435 34.347 6.543 -7.466 1.00 0.00 C ATOM 306 CD PRO A 435 34.975 6.029 -8.724 1.00 0.00 C ATOM 0 HA PRO A 435 33.732 8.823 -9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 435 33.485 8.452 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 435 32.557 7.494 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 435 35.107 6.789 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 435 33.697 5.790 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 435 35.936 5.554 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 435 34.346 5.285 -9.213 1.00 0.00 H new ATOM 314 N CYS A 436 34.971 10.720 -8.980 1.00 0.00 N ATOM 315 CA CYS A 436 35.694 11.918 -8.573 1.00 0.00 C ATOM 316 C CYS A 436 35.607 12.104 -7.064 1.00 0.00 C ATOM 317 O CYS A 436 34.565 11.845 -6.461 1.00 0.00 O ATOM 318 CB CYS A 436 35.112 13.141 -9.313 1.00 0.00 C ATOM 319 SG CYS A 436 35.638 14.786 -8.692 1.00 0.00 S ATOM 0 H CYS A 436 34.226 10.898 -9.653 1.00 0.00 H new ATOM 0 HA CYS A 436 36.747 11.813 -8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.386 13.068 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.025 13.087 -9.263 1.00 0.00 H new ATOM 324 N PRO A 437 36.699 12.552 -6.435 1.00 0.00 N ATOM 325 CA PRO A 437 36.748 12.771 -4.985 1.00 0.00 C ATOM 326 C PRO A 437 35.745 13.832 -4.503 1.00 0.00 C ATOM 327 O PRO A 437 35.537 13.995 -3.300 1.00 0.00 O ATOM 328 CB PRO A 437 38.190 13.241 -4.734 1.00 0.00 C ATOM 329 CG PRO A 437 38.693 13.692 -6.061 1.00 0.00 C ATOM 330 CD PRO A 437 37.985 12.860 -7.084 1.00 0.00 C ATOM 0 HA PRO A 437 36.479 11.867 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 437 38.218 14.052 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 437 38.803 12.433 -4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 437 38.490 14.752 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 437 39.773 13.561 -6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 437 37.845 13.404 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 437 38.543 11.954 -7.323 1.00 0.00 H new ATOM 338 N LYS A 438 35.128 14.548 -5.440 1.00 0.00 N ATOM 339 CA LYS A 438 34.153 15.579 -5.085 1.00 0.00 C ATOM 340 C LYS A 438 32.781 15.280 -5.675 1.00 0.00 C ATOM 341 O LYS A 438 31.791 15.148 -4.945 1.00 0.00 O ATOM 342 CB LYS A 438 34.602 16.968 -5.553 1.00 0.00 C ATOM 343 CG LYS A 438 35.823 17.531 -4.824 1.00 0.00 C ATOM 344 CD LYS A 438 37.119 17.182 -5.539 1.00 0.00 C ATOM 345 CE LYS A 438 37.229 17.899 -6.882 1.00 0.00 C ATOM 346 NZ LYS A 438 37.223 19.377 -6.733 1.00 0.00 N ATOM 0 H LYS A 438 35.283 14.436 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 438 34.085 15.573 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 438 34.823 16.922 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 438 33.771 17.663 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 438 35.732 18.614 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 438 35.852 17.139 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.967 17.454 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 438 37.170 16.105 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.147 17.590 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 438 36.400 17.597 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 37.582 19.815 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 36.252 19.704 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 37.831 19.648 -5.934 1.00 0.00 H new ATOM 360 N CYS A 439 32.726 15.175 -6.996 1.00 0.00 N ATOM 361 CA CYS A 439 31.465 14.974 -7.699 1.00 0.00 C ATOM 362 C CYS A 439 31.060 13.515 -7.719 1.00 0.00 C ATOM 363 O CYS A 439 29.882 13.197 -7.888 1.00 0.00 O ATOM 364 CB CYS A 439 31.597 15.461 -9.134 1.00 0.00 C ATOM 365 SG CYS A 439 32.709 16.879 -9.342 1.00 0.00 S ATOM 0 H CYS A 439 33.543 15.226 -7.605 1.00 0.00 H new ATOM 0 HA CYS A 439 30.699 15.540 -7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 439 31.956 14.639 -9.753 1.00 0.00 H new ATOM 0 HB3 CYS A 439 30.609 15.732 -9.506 1.00 0.00 H new ATOM 370 N ARG A 440 32.047 12.635 -7.565 1.00 0.00 N ATOM 371 CA ARG A 440 31.834 11.185 -7.656 1.00 0.00 C ATOM 372 C ARG A 440 31.437 10.795 -9.076 1.00 0.00 C ATOM 373 O ARG A 440 30.886 9.722 -9.312 1.00 0.00 O ATOM 374 CB ARG A 440 30.791 10.685 -6.635 1.00 0.00 C ATOM 375 CG ARG A 440 31.364 10.381 -5.256 1.00 0.00 C ATOM 376 CD ARG A 440 31.855 11.635 -4.545 1.00 0.00 C ATOM 377 NE ARG A 440 32.566 11.312 -3.304 1.00 0.00 N ATOM 378 CZ ARG A 440 32.530 12.052 -2.191 1.00 0.00 C ATOM 379 NH1 ARG A 440 31.788 13.156 -2.144 1.00 0.00 N ATOM 380 NH2 ARG A 440 33.228 11.678 -1.121 1.00 0.00 N ATOM 0 H ARG A 440 33.013 12.901 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 440 32.778 10.699 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 440 30.009 11.437 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 440 30.318 9.784 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 440 30.601 9.896 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 440 32.189 9.676 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 440 32.516 12.194 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 440 31.007 12.282 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 440 33.129 10.461 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 440 31.244 13.440 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 440 31.763 13.718 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 440 33.790 10.827 -1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 440 33.201 12.242 -0.272 1.00 0.00 H new ATOM 394 N THR A 441 31.747 11.671 -10.015 1.00 0.00 N ATOM 395 CA THR A 441 31.448 11.456 -11.411 1.00 0.00 C ATOM 396 C THR A 441 32.524 10.607 -12.081 1.00 0.00 C ATOM 397 O THR A 441 33.630 10.473 -11.552 1.00 0.00 O ATOM 398 CB THR A 441 31.324 12.807 -12.136 1.00 0.00 C ATOM 399 OG1 THR A 441 32.276 13.731 -11.584 1.00 0.00 O ATOM 400 CG2 THR A 441 29.918 13.367 -11.984 1.00 0.00 C ATOM 0 H THR A 441 32.216 12.556 -9.824 1.00 0.00 H new ATOM 0 HA THR A 441 30.501 10.920 -11.475 1.00 0.00 H new ATOM 0 HB THR A 441 31.525 12.659 -13.197 1.00 0.00 H new ATOM 0 HG1 THR A 441 33.072 13.761 -12.155 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.849 14.323 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.200 12.668 -12.413 1.00 0.00 H new ATOM 0 HG23 THR A 441 29.696 13.512 -10.927 1.00 0.00 H new ATOM 408 N PRO A 442 32.204 10.008 -13.243 1.00 0.00 N ATOM 409 CA PRO A 442 33.139 9.163 -13.993 1.00 0.00 C ATOM 410 C PRO A 442 34.435 9.889 -14.381 1.00 0.00 C ATOM 411 O PRO A 442 34.437 10.784 -15.234 1.00 0.00 O ATOM 412 CB PRO A 442 32.348 8.773 -15.258 1.00 0.00 C ATOM 413 CG PRO A 442 31.225 9.747 -15.330 1.00 0.00 C ATOM 414 CD PRO A 442 30.895 10.088 -13.914 1.00 0.00 C ATOM 0 HA PRO A 442 33.466 8.313 -13.394 1.00 0.00 H new ATOM 0 HB2 PRO A 442 32.975 8.828 -16.148 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.978 7.750 -15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 442 31.513 10.637 -15.890 1.00 0.00 H new ATOM 0 HG3 PRO A 442 30.364 9.315 -15.840 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.458 11.083 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 442 30.178 9.387 -13.486 1.00 0.00 H new ATOM 422 N THR A 443 35.517 9.514 -13.732 1.00 0.00 N ATOM 423 CA THR A 443 36.826 10.054 -14.026 1.00 0.00 C ATOM 424 C THR A 443 37.574 9.119 -14.973 1.00 0.00 C ATOM 425 O THR A 443 37.664 7.911 -14.721 1.00 0.00 O ATOM 426 CB THR A 443 37.646 10.243 -12.733 1.00 0.00 C ATOM 427 OG1 THR A 443 36.991 11.189 -11.878 1.00 0.00 O ATOM 428 CG2 THR A 443 39.051 10.718 -13.039 1.00 0.00 C ATOM 0 H THR A 443 35.512 8.823 -12.982 1.00 0.00 H new ATOM 0 HA THR A 443 36.695 11.027 -14.500 1.00 0.00 H new ATOM 0 HB THR A 443 37.715 9.278 -12.230 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.339 10.723 -11.314 1.00 0.00 H new ATOM 0 HG21 THR A 443 39.604 10.842 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 443 39.555 9.982 -13.666 1.00 0.00 H new ATOM 0 HG23 THR A 443 39.006 11.672 -13.564 1.00 0.00 H new ATOM 436 N GLU A 444 38.094 9.676 -16.060 1.00 0.00 N ATOM 437 CA GLU A 444 38.805 8.895 -17.063 1.00 0.00 C ATOM 438 C GLU A 444 40.078 8.292 -16.495 1.00 0.00 C ATOM 439 O GLU A 444 40.889 8.986 -15.878 1.00 0.00 O ATOM 440 CB GLU A 444 39.143 9.757 -18.276 1.00 0.00 C ATOM 441 CG GLU A 444 37.931 10.325 -18.985 1.00 0.00 C ATOM 442 CD GLU A 444 38.308 11.110 -20.220 1.00 0.00 C ATOM 443 OE1 GLU A 444 38.623 12.309 -20.093 1.00 0.00 O ATOM 444 OE2 GLU A 444 38.298 10.527 -21.323 1.00 0.00 O ATOM 0 H GLU A 444 38.035 10.673 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 444 38.146 8.083 -17.372 1.00 0.00 H new ATOM 0 HB2 GLU A 444 39.783 10.580 -17.957 1.00 0.00 H new ATOM 0 HB3 GLU A 444 39.719 9.161 -18.984 1.00 0.00 H new ATOM 0 HG2 GLU A 444 37.261 9.512 -19.264 1.00 0.00 H new ATOM 0 HG3 GLU A 444 37.381 10.970 -18.300 1.00 0.00 H new ATOM 451 N ARG A 445 40.238 6.997 -16.700 1.00 0.00 N ATOM 452 CA ARG A 445 41.414 6.284 -16.240 1.00 0.00 C ATOM 453 C ARG A 445 42.477 6.223 -17.338 1.00 0.00 C ATOM 454 O ARG A 445 42.274 6.765 -18.422 1.00 0.00 O ATOM 455 CB ARG A 445 41.059 4.885 -15.725 1.00 0.00 C ATOM 456 CG ARG A 445 40.438 3.969 -16.761 1.00 0.00 C ATOM 457 CD ARG A 445 40.134 2.597 -16.177 1.00 0.00 C ATOM 458 NE ARG A 445 39.570 1.697 -17.182 1.00 0.00 N ATOM 459 CZ ARG A 445 39.605 0.364 -17.120 1.00 0.00 C ATOM 460 NH1 ARG A 445 40.170 -0.246 -16.082 1.00 0.00 N ATOM 461 NH2 ARG A 445 39.074 -0.356 -18.096 1.00 0.00 N ATOM 0 H ARG A 445 39.559 6.413 -17.188 1.00 0.00 H new ATOM 0 HA ARG A 445 41.832 6.838 -15.400 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.963 4.414 -15.339 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.369 4.985 -14.887 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.519 4.416 -17.141 1.00 0.00 H new ATOM 0 HG3 ARG A 445 41.115 3.864 -17.609 1.00 0.00 H new ATOM 0 HD2 ARG A 445 41.048 2.163 -15.771 1.00 0.00 H new ATOM 0 HD3 ARG A 445 39.435 2.701 -15.347 1.00 0.00 H new ATOM 0 HE ARG A 445 39.116 2.120 -17.991 1.00 0.00 H new ATOM 0 HH11 ARG A 445 40.580 0.305 -15.328 1.00 0.00 H new ATOM 0 HH12 ARG A 445 40.194 -1.265 -16.040 1.00 0.00 H new ATOM 0 HH21 ARG A 445 38.639 0.108 -18.894 1.00 0.00 H new ATOM 0 HH22 ARG A 445 39.100 -1.375 -18.050 1.00 0.00 H new ATOM 475 N ASP A 446 43.600 5.558 -17.020 1.00 0.00 N ATOM 476 CA ASP A 446 44.809 5.459 -17.879 1.00 0.00 C ATOM 477 C ASP A 446 44.511 5.556 -19.368 1.00 0.00 C ATOM 478 O ASP A 446 43.956 4.634 -19.970 1.00 0.00 O ATOM 479 CB ASP A 446 45.561 4.158 -17.580 1.00 0.00 C ATOM 480 CG ASP A 446 46.806 3.988 -18.427 1.00 0.00 C ATOM 481 OD1 ASP A 446 47.845 4.585 -18.087 1.00 0.00 O ATOM 482 OD2 ASP A 446 46.756 3.235 -19.424 1.00 0.00 O ATOM 0 H ASP A 446 43.703 5.059 -16.137 1.00 0.00 H new ATOM 0 HA ASP A 446 45.430 6.320 -17.633 1.00 0.00 H new ATOM 0 HB2 ASP A 446 45.839 4.139 -16.526 1.00 0.00 H new ATOM 0 HB3 ASP A 446 44.895 3.312 -17.749 1.00 0.00 H new ATOM 487 N GLY A 447 44.869 6.692 -19.938 1.00 0.00 N ATOM 488 CA GLY A 447 44.675 6.928 -21.349 1.00 0.00 C ATOM 489 C GLY A 447 45.504 8.100 -21.834 1.00 0.00 C ATOM 490 O GLY A 447 45.230 8.677 -22.892 1.00 0.00 O ATOM 0 H GLY A 447 45.299 7.469 -19.437 1.00 0.00 H new ATOM 0 HA2 GLY A 447 44.945 6.033 -21.909 1.00 0.00 H new ATOM 0 HA3 GLY A 447 43.620 7.121 -21.545 1.00 0.00 H new ATOM 494 N GLY A 448 46.516 8.461 -21.060 1.00 0.00 N ATOM 495 CA GLY A 448 47.362 9.567 -21.426 1.00 0.00 C ATOM 496 C GLY A 448 48.685 9.578 -20.685 1.00 0.00 C ATOM 497 O GLY A 448 49.625 8.884 -21.065 1.00 0.00 O ATOM 0 H GLY A 448 46.764 8.003 -20.183 1.00 0.00 H new ATOM 0 HA2 GLY A 448 47.554 9.530 -22.498 1.00 0.00 H new ATOM 0 HA3 GLY A 448 46.835 10.500 -21.229 1.00 0.00 H new ATOM 501 N CYS A 449 48.746 10.355 -19.619 1.00 0.00 N ATOM 502 CA CYS A 449 49.979 10.533 -18.867 1.00 0.00 C ATOM 503 C CYS A 449 49.797 10.198 -17.381 1.00 0.00 C ATOM 504 O CYS A 449 50.357 10.884 -16.531 1.00 0.00 O ATOM 505 CB CYS A 449 50.436 11.986 -18.998 1.00 0.00 C ATOM 506 SG CYS A 449 50.692 12.548 -20.697 1.00 0.00 S ATOM 0 H CYS A 449 47.951 10.877 -19.251 1.00 0.00 H new ATOM 0 HA CYS A 449 50.725 9.851 -19.276 1.00 0.00 H new ATOM 0 HB2 CYS A 449 49.695 12.630 -18.525 1.00 0.00 H new ATOM 0 HB3 CYS A 449 51.367 12.111 -18.444 1.00 0.00 H new ATOM 0 HG CYS A 449 51.075 13.790 -20.690 1.00 0.00 H new ATOM 512 N MET A 450 49.018 9.148 -17.078 1.00 0.00 N ATOM 513 CA MET A 450 48.756 8.717 -15.674 1.00 0.00 C ATOM 514 C MET A 450 47.827 9.711 -14.940 1.00 0.00 C ATOM 515 O MET A 450 47.354 9.445 -13.836 1.00 0.00 O ATOM 516 CB MET A 450 50.091 8.536 -14.882 1.00 0.00 C ATOM 517 CG MET A 450 49.889 8.214 -13.405 1.00 0.00 C ATOM 518 SD MET A 450 51.393 8.313 -12.410 1.00 0.00 S ATOM 519 CE MET A 450 52.193 6.768 -12.823 1.00 0.00 C ATOM 0 H MET A 450 48.552 8.573 -17.780 1.00 0.00 H new ATOM 0 HA MET A 450 48.249 7.753 -15.722 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.671 7.737 -15.343 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.681 9.448 -14.968 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.149 8.901 -12.993 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.475 7.209 -13.318 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.136 6.690 -12.282 1.00 0.00 H new ATOM 0 HE2 MET A 450 51.545 5.937 -12.544 1.00 0.00 H new ATOM 0 HE3 MET A 450 52.386 6.734 -13.895 1.00 0.00 H new ATOM 529 N HIS A 451 47.550 10.823 -15.571 1.00 0.00 N ATOM 530 CA HIS A 451 46.748 11.862 -14.962 1.00 0.00 C ATOM 531 C HIS A 451 45.265 11.554 -15.119 1.00 0.00 C ATOM 532 O HIS A 451 44.764 11.424 -16.237 1.00 0.00 O ATOM 533 CB HIS A 451 47.079 13.211 -15.605 1.00 0.00 C ATOM 534 CG HIS A 451 46.970 14.374 -14.670 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.850 15.424 -14.739 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.088 14.602 -13.671 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.490 16.260 -13.785 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.431 15.806 -13.112 1.00 0.00 N ATOM 0 H HIS A 451 47.870 11.037 -16.516 1.00 0.00 H new ATOM 0 HA HIS A 451 46.977 11.906 -13.897 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.093 13.173 -16.004 1.00 0.00 H new ATOM 0 HB3 HIS A 451 46.410 13.373 -16.450 1.00 0.00 H new ATOM 0 HD1 HIS A 451 48.624 15.535 -15.394 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.272 13.961 -13.372 1.00 0.00 H new ATOM 0 HE1 HIS A 451 47.989 17.194 -13.575 1.00 0.00 H new ATOM 546 N MET A 452 44.573 11.427 -14.009 1.00 0.00 N ATOM 547 CA MET A 452 43.150 11.158 -14.036 1.00 0.00 C ATOM 548 C MET A 452 42.371 12.445 -14.141 1.00 0.00 C ATOM 549 O MET A 452 42.687 13.438 -13.476 1.00 0.00 O ATOM 550 CB MET A 452 42.717 10.358 -12.822 1.00 0.00 C ATOM 551 CG MET A 452 42.441 8.919 -13.133 1.00 0.00 C ATOM 552 SD MET A 452 41.931 8.002 -11.681 1.00 0.00 S ATOM 553 CE MET A 452 41.913 6.361 -12.339 1.00 0.00 C ATOM 0 H MET A 452 44.972 11.506 -13.074 1.00 0.00 H new ATOM 0 HA MET A 452 42.937 10.555 -14.919 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.494 10.416 -12.060 1.00 0.00 H new ATOM 0 HB3 MET A 452 41.821 10.810 -12.398 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.662 8.856 -13.893 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.336 8.461 -13.554 1.00 0.00 H new ATOM 0 HE1 MET A 452 42.332 5.671 -11.607 1.00 0.00 H new ATOM 0 HE2 MET A 452 40.887 6.071 -12.565 1.00 0.00 H new ATOM 0 HE3 MET A 452 42.509 6.328 -13.251 1.00 0.00 H new ATOM 563 N VAL A 453 41.357 12.435 -14.976 1.00 0.00 N ATOM 564 CA VAL A 453 40.589 13.628 -15.250 1.00 0.00 C ATOM 565 C VAL A 453 39.103 13.412 -15.025 1.00 0.00 C ATOM 566 O VAL A 453 38.495 12.519 -15.638 1.00 0.00 O ATOM 567 CB VAL A 453 40.783 14.061 -16.716 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.017 15.347 -17.015 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.259 14.226 -17.048 1.00 0.00 C ATOM 0 H VAL A 453 41.043 11.606 -15.481 1.00 0.00 H new ATOM 0 HA VAL A 453 40.948 14.395 -14.564 1.00 0.00 H new ATOM 0 HB VAL A 453 40.380 13.271 -17.350 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.172 15.629 -18.056 1.00 0.00 H new ATOM 0 HG12 VAL A 453 38.954 15.187 -16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.378 16.145 -16.366 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.366 14.532 -18.089 1.00 0.00 H new ATOM 0 HG22 VAL A 453 42.695 14.986 -16.400 1.00 0.00 H new ATOM 0 HG23 VAL A 453 42.775 13.278 -16.894 1.00 0.00 H new ATOM 579 N CYS A 454 38.519 14.210 -14.142 1.00 0.00 N ATOM 580 CA CYS A 454 37.088 14.199 -13.966 1.00 0.00 C ATOM 581 C CYS A 454 36.496 14.918 -15.151 1.00 0.00 C ATOM 582 O CYS A 454 36.471 16.151 -15.197 1.00 0.00 O ATOM 583 CB CYS A 454 36.682 14.894 -12.656 1.00 0.00 C ATOM 584 SG CYS A 454 34.881 14.886 -12.314 1.00 0.00 S ATOM 0 H CYS A 454 39.018 14.867 -13.543 1.00 0.00 H new ATOM 0 HA CYS A 454 36.721 13.175 -13.904 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.198 14.409 -11.828 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.028 15.927 -12.686 1.00 0.00 H new ATOM 589 N THR A 455 36.052 14.157 -16.121 1.00 0.00 N ATOM 590 CA THR A 455 35.564 14.710 -17.364 1.00 0.00 C ATOM 591 C THR A 455 34.171 15.342 -17.220 1.00 0.00 C ATOM 592 O THR A 455 33.467 15.562 -18.214 1.00 0.00 O ATOM 593 CB THR A 455 35.588 13.647 -18.493 1.00 0.00 C ATOM 594 OG1 THR A 455 35.111 14.202 -19.728 1.00 0.00 O ATOM 595 CG2 THR A 455 34.765 12.436 -18.115 1.00 0.00 C ATOM 0 H THR A 455 36.018 13.139 -16.073 1.00 0.00 H new ATOM 0 HA THR A 455 36.243 15.516 -17.641 1.00 0.00 H new ATOM 0 HB THR A 455 36.623 13.332 -18.629 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.414 14.865 -19.541 1.00 0.00 H new ATOM 0 HG21 THR A 455 34.799 11.706 -18.924 1.00 0.00 H new ATOM 0 HG22 THR A 455 35.170 11.990 -17.207 1.00 0.00 H new ATOM 0 HG23 THR A 455 33.732 12.738 -17.942 1.00 0.00 H new ATOM 603 N ARG A 456 33.783 15.652 -15.994 1.00 0.00 N ATOM 604 CA ARG A 456 32.543 16.341 -15.752 1.00 0.00 C ATOM 605 C ARG A 456 32.705 17.787 -16.210 1.00 0.00 C ATOM 606 O ARG A 456 33.656 18.458 -15.811 1.00 0.00 O ATOM 607 CB ARG A 456 32.189 16.296 -14.261 1.00 0.00 C ATOM 608 CG ARG A 456 30.884 16.990 -13.918 1.00 0.00 C ATOM 609 CD ARG A 456 30.655 17.050 -12.417 1.00 0.00 C ATOM 610 NE ARG A 456 29.400 17.726 -12.096 1.00 0.00 N ATOM 611 CZ ARG A 456 29.161 18.399 -10.968 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.066 18.436 -9.993 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.001 19.025 -10.811 1.00 0.00 N ATOM 0 H ARG A 456 34.317 15.433 -15.153 1.00 0.00 H new ATOM 0 HA ARG A 456 31.736 15.859 -16.304 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.130 15.255 -13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.996 16.758 -13.692 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.892 18.001 -14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.056 16.462 -14.391 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.640 16.039 -12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.484 17.574 -11.942 1.00 0.00 H new ATOM 0 HE ARG A 456 28.650 17.680 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 456 30.954 17.947 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 456 29.871 18.954 -9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.299 18.990 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 456 27.812 19.541 -9.952 1.00 0.00 H new ATOM 627 N ALA A 457 31.799 18.250 -17.060 1.00 0.00 N ATOM 628 CA ALA A 457 31.868 19.608 -17.603 1.00 0.00 C ATOM 629 C ALA A 457 31.897 20.655 -16.496 1.00 0.00 C ATOM 630 O ALA A 457 32.548 21.692 -16.622 1.00 0.00 O ATOM 631 CB ALA A 457 30.702 19.862 -18.544 1.00 0.00 C ATOM 0 H ALA A 457 31.003 17.706 -17.392 1.00 0.00 H new ATOM 0 HA ALA A 457 32.799 19.694 -18.163 1.00 0.00 H new ATOM 0 HB1 ALA A 457 30.768 20.876 -18.939 1.00 0.00 H new ATOM 0 HB2 ALA A 457 30.737 19.149 -19.367 1.00 0.00 H new ATOM 0 HB3 ALA A 457 29.764 19.744 -18.001 1.00 0.00 H new ATOM 637 N GLY A 458 31.199 20.373 -15.410 1.00 0.00 N ATOM 638 CA GLY A 458 31.168 21.294 -14.296 1.00 0.00 C ATOM 639 C GLY A 458 32.293 21.063 -13.299 1.00 0.00 C ATOM 640 O GLY A 458 32.252 21.585 -12.185 1.00 0.00 O ATOM 0 H GLY A 458 30.652 19.522 -15.279 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.230 22.314 -14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.211 21.202 -13.783 1.00 0.00 H new ATOM 644 N CYS A 459 33.298 20.285 -13.691 1.00 0.00 N ATOM 645 CA CYS A 459 34.418 19.999 -12.809 1.00 0.00 C ATOM 646 C CYS A 459 35.745 20.254 -13.512 1.00 0.00 C ATOM 647 O CYS A 459 36.380 21.287 -13.298 1.00 0.00 O ATOM 648 CB CYS A 459 34.360 18.552 -12.308 1.00 0.00 C ATOM 649 SG CYS A 459 35.502 18.181 -10.933 1.00 0.00 S ATOM 0 H CYS A 459 33.357 19.845 -14.609 1.00 0.00 H new ATOM 0 HA CYS A 459 34.345 20.669 -11.953 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.342 18.332 -11.987 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.583 17.884 -13.140 1.00 0.00 H new ATOM 654 N GLY A 460 36.153 19.318 -14.364 1.00 0.00 N ATOM 655 CA GLY A 460 37.430 19.439 -15.036 1.00 0.00 C ATOM 656 C GLY A 460 38.578 19.288 -14.060 1.00 0.00 C ATOM 657 O GLY A 460 39.622 19.923 -14.206 1.00 0.00 O ATOM 0 H GLY A 460 35.621 18.480 -14.599 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.508 18.679 -15.814 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.494 20.409 -15.530 1.00 0.00 H new ATOM 661 N PHE A 461 38.372 18.451 -13.059 1.00 0.00 N ATOM 662 CA PHE A 461 39.361 18.230 -12.019 1.00 0.00 C ATOM 663 C PHE A 461 40.410 17.228 -12.470 1.00 0.00 C ATOM 664 O PHE A 461 40.085 16.180 -13.026 1.00 0.00 O ATOM 665 CB PHE A 461 38.671 17.742 -10.746 1.00 0.00 C ATOM 666 CG PHE A 461 39.576 17.594 -9.563 1.00 0.00 C ATOM 667 CD1 PHE A 461 40.348 18.656 -9.131 1.00 0.00 C ATOM 668 CD2 PHE A 461 39.640 16.400 -8.875 1.00 0.00 C ATOM 669 CE1 PHE A 461 41.171 18.523 -8.034 1.00 0.00 C ATOM 670 CE2 PHE A 461 40.463 16.259 -7.778 1.00 0.00 C ATOM 671 CZ PHE A 461 41.228 17.321 -7.357 1.00 0.00 C ATOM 0 H PHE A 461 37.517 17.907 -12.944 1.00 0.00 H new ATOM 0 HA PHE A 461 39.866 19.174 -11.814 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.873 18.439 -10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.201 16.780 -10.950 1.00 0.00 H new ATOM 0 HD1 PHE A 461 40.306 19.598 -9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.037 15.565 -9.200 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.771 19.358 -7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 461 40.507 15.317 -7.251 1.00 0.00 H new ATOM 0 HZ PHE A 461 41.873 17.215 -6.497 1.00 0.00 H new ATOM 681 N GLU A 462 41.660 17.553 -12.230 1.00 0.00 N ATOM 682 CA GLU A 462 42.761 16.700 -12.619 1.00 0.00 C ATOM 683 C GLU A 462 43.533 16.233 -11.389 1.00 0.00 C ATOM 684 O GLU A 462 44.089 17.045 -10.653 1.00 0.00 O ATOM 685 CB GLU A 462 43.685 17.459 -13.568 1.00 0.00 C ATOM 686 CG GLU A 462 43.009 17.900 -14.853 1.00 0.00 C ATOM 687 CD GLU A 462 43.823 18.912 -15.616 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.680 18.508 -16.426 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.612 20.126 -15.404 1.00 0.00 O ATOM 0 H GLU A 462 41.942 18.414 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 462 42.367 15.821 -13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.078 18.337 -13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.537 16.826 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.834 17.029 -15.485 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.033 18.326 -14.619 1.00 0.00 H new ATOM 696 N TRP A 463 43.561 14.935 -11.170 1.00 0.00 N ATOM 697 CA TRP A 463 44.264 14.363 -10.029 1.00 0.00 C ATOM 698 C TRP A 463 45.180 13.233 -10.465 1.00 0.00 C ATOM 699 O TRP A 463 44.913 12.555 -11.459 1.00 0.00 O ATOM 700 CB TRP A 463 43.281 13.904 -8.926 1.00 0.00 C ATOM 701 CG TRP A 463 42.030 13.193 -9.403 1.00 0.00 C ATOM 702 CD1 TRP A 463 40.991 13.738 -10.107 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.670 11.822 -9.166 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.018 12.799 -10.321 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.406 11.616 -9.760 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.290 10.745 -8.517 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.751 10.391 -9.720 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.636 9.524 -8.482 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.374 9.359 -9.080 1.00 0.00 C ATOM 0 H TRP A 463 43.103 14.248 -11.769 1.00 0.00 H new ATOM 0 HA TRP A 463 44.886 15.147 -9.597 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.814 13.241 -8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.980 14.778 -8.349 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.945 14.763 -10.445 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.143 12.958 -10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.258 10.865 -8.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.782 10.260 -10.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 42.103 8.685 -7.987 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.888 8.396 -9.032 1.00 0.00 H new ATOM 720 N CYS A 464 46.281 13.047 -9.742 1.00 0.00 N ATOM 721 CA CYS A 464 47.236 12.021 -10.099 1.00 0.00 C ATOM 722 C CYS A 464 46.732 10.633 -9.752 1.00 0.00 C ATOM 723 O CYS A 464 45.811 10.468 -8.963 1.00 0.00 O ATOM 724 CB CYS A 464 48.616 12.290 -9.490 1.00 0.00 C ATOM 725 SG CYS A 464 48.599 12.879 -7.770 1.00 0.00 S ATOM 0 H CYS A 464 46.526 13.591 -8.915 1.00 0.00 H new ATOM 0 HA CYS A 464 47.350 12.058 -11.182 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.202 11.372 -9.538 1.00 0.00 H new ATOM 0 HB3 CYS A 464 49.130 13.028 -10.105 1.00 0.00 H new ATOM 730 N TRP A 465 47.359 9.653 -10.350 1.00 0.00 N ATOM 731 CA TRP A 465 46.959 8.271 -10.205 1.00 0.00 C ATOM 732 C TRP A 465 47.384 7.695 -8.869 1.00 0.00 C ATOM 733 O TRP A 465 46.575 7.103 -8.153 1.00 0.00 O ATOM 734 CB TRP A 465 47.581 7.465 -11.328 1.00 0.00 C ATOM 735 CG TRP A 465 47.067 6.084 -11.448 1.00 0.00 C ATOM 736 CD1 TRP A 465 47.390 5.003 -10.682 1.00 0.00 C ATOM 737 CD2 TRP A 465 46.145 5.637 -12.413 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.700 3.906 -11.120 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.927 4.272 -12.186 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.474 6.268 -13.450 1.00 0.00 C ATOM 741 CZ2 TRP A 465 45.060 3.521 -12.965 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.621 5.532 -14.219 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.413 4.167 -13.977 1.00 0.00 C ATOM 0 H TRP A 465 48.168 9.789 -10.956 1.00 0.00 H new ATOM 0 HA TRP A 465 45.871 8.222 -10.250 1.00 0.00 H new ATOM 0 HB2 TRP A 465 47.410 7.986 -12.270 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.660 7.426 -11.176 1.00 0.00 H new ATOM 0 HD1 TRP A 465 48.085 5.012 -9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.754 2.970 -10.718 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.624 7.320 -13.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.904 2.469 -12.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 44.095 6.011 -15.031 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.727 3.616 -14.604 1.00 0.00 H new ATOM 754 N VAL A 466 48.664 7.848 -8.547 1.00 0.00 N ATOM 755 CA VAL A 466 49.208 7.288 -7.323 1.00 0.00 C ATOM 756 C VAL A 466 48.515 7.869 -6.089 1.00 0.00 C ATOM 757 O VAL A 466 48.243 7.150 -5.122 1.00 0.00 O ATOM 758 CB VAL A 466 50.725 7.525 -7.239 1.00 0.00 C ATOM 759 CG1 VAL A 466 51.327 6.817 -6.040 1.00 0.00 C ATOM 760 CG2 VAL A 466 51.402 7.086 -8.527 1.00 0.00 C ATOM 0 H VAL A 466 49.340 8.355 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 466 49.022 6.214 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 466 50.894 8.594 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 466 52.400 7.004 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 466 50.866 7.193 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 466 51.148 5.745 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 466 52.475 7.260 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 466 51.217 6.024 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.999 7.658 -9.363 1.00 0.00 H new ATOM 770 N CYS A 467 48.212 9.153 -6.136 1.00 0.00 N ATOM 771 CA CYS A 467 47.529 9.812 -5.040 1.00 0.00 C ATOM 772 C CYS A 467 46.019 9.819 -5.295 1.00 0.00 C ATOM 773 O CYS A 467 45.520 9.072 -6.130 1.00 0.00 O ATOM 774 CB CYS A 467 48.044 11.244 -4.886 1.00 0.00 C ATOM 775 SG CYS A 467 49.860 11.373 -4.693 1.00 0.00 S ATOM 0 H CYS A 467 48.429 9.762 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 467 47.729 9.266 -4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.741 11.823 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.565 11.699 -4.019 1.00 0.00 H new ATOM 780 N GLN A 468 45.311 10.637 -4.556 1.00 0.00 N ATOM 781 CA GLN A 468 43.870 10.766 -4.712 1.00 0.00 C ATOM 782 C GLN A 468 43.467 12.213 -4.427 1.00 0.00 C ATOM 783 O GLN A 468 42.296 12.528 -4.195 1.00 0.00 O ATOM 784 CB GLN A 468 43.166 9.813 -3.744 1.00 0.00 C ATOM 785 CG GLN A 468 41.681 9.626 -4.007 1.00 0.00 C ATOM 786 CD GLN A 468 41.013 8.806 -2.930 1.00 0.00 C ATOM 787 OE1 GLN A 468 41.427 8.833 -1.770 1.00 0.00 O ATOM 788 NE2 GLN A 468 39.984 8.072 -3.299 1.00 0.00 N ATOM 0 H GLN A 468 45.709 11.233 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 468 43.577 10.508 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 468 43.655 8.840 -3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 468 43.297 10.186 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 468 41.199 10.601 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 468 41.543 9.138 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 468 39.674 8.080 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 468 39.496 7.496 -2.613 1.00 0.00 H new ATOM 797 N THR A 469 44.452 13.086 -4.458 1.00 0.00 N ATOM 798 CA THR A 469 44.248 14.486 -4.178 1.00 0.00 C ATOM 799 C THR A 469 44.569 15.315 -5.422 1.00 0.00 C ATOM 800 O THR A 469 44.969 14.766 -6.451 1.00 0.00 O ATOM 801 CB THR A 469 45.133 14.940 -2.985 1.00 0.00 C ATOM 802 OG1 THR A 469 44.812 16.284 -2.600 1.00 0.00 O ATOM 803 CG2 THR A 469 46.616 14.850 -3.338 1.00 0.00 C ATOM 0 H THR A 469 45.417 12.841 -4.679 1.00 0.00 H new ATOM 0 HA THR A 469 43.204 14.640 -3.906 1.00 0.00 H new ATOM 0 HB THR A 469 44.930 14.270 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 469 45.378 16.552 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 469 47.213 15.174 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 469 46.869 13.820 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 469 46.826 15.493 -4.193 1.00 0.00 H new ATOM 811 N GLU A 470 44.400 16.624 -5.325 1.00 0.00 N ATOM 812 CA GLU A 470 44.661 17.504 -6.446 1.00 0.00 C ATOM 813 C GLU A 470 46.149 17.612 -6.723 1.00 0.00 C ATOM 814 O GLU A 470 46.982 17.247 -5.884 1.00 0.00 O ATOM 815 CB GLU A 470 44.062 18.892 -6.205 1.00 0.00 C ATOM 816 CG GLU A 470 44.558 19.578 -4.951 1.00 0.00 C ATOM 817 CD GLU A 470 43.922 20.931 -4.754 1.00 0.00 C ATOM 818 OE1 GLU A 470 42.725 20.984 -4.395 1.00 0.00 O ATOM 819 OE2 GLU A 470 44.613 21.952 -4.960 1.00 0.00 O ATOM 0 H GLU A 470 44.083 17.098 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 470 44.181 17.070 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 470 44.286 19.525 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.977 18.802 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 470 44.346 18.949 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 470 45.641 19.691 -5.005 1.00 0.00 H new ATOM 826 N TRP A 471 46.471 18.120 -7.898 1.00 0.00 N ATOM 827 CA TRP A 471 47.843 18.290 -8.333 1.00 0.00 C ATOM 828 C TRP A 471 48.646 19.130 -7.335 1.00 0.00 C ATOM 829 O TRP A 471 48.106 20.025 -6.674 1.00 0.00 O ATOM 830 CB TRP A 471 47.874 18.948 -9.722 1.00 0.00 C ATOM 831 CG TRP A 471 47.282 20.333 -9.750 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.964 21.512 -9.673 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.891 20.681 -9.856 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.087 22.566 -9.720 1.00 0.00 N ATOM 835 CE2 TRP A 471 45.811 22.084 -9.833 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.711 19.943 -9.968 1.00 0.00 C ATOM 837 CZ2 TRP A 471 44.599 22.764 -9.917 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.510 20.619 -10.050 1.00 0.00 C ATOM 839 CH2 TRP A 471 43.461 22.015 -10.025 1.00 0.00 C ATOM 0 H TRP A 471 45.781 18.429 -8.583 1.00 0.00 H new ATOM 0 HA TRP A 471 48.305 17.304 -8.388 1.00 0.00 H new ATOM 0 HB2 TRP A 471 48.906 18.997 -10.068 1.00 0.00 H new ATOM 0 HB3 TRP A 471 47.332 18.316 -10.426 1.00 0.00 H new ATOM 0 HD1 TRP A 471 49.037 21.602 -9.588 1.00 0.00 H new ATOM 0 HE1 TRP A 471 47.345 23.552 -9.677 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.737 18.864 -9.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 44.560 23.843 -9.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.591 20.058 -10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 471 42.505 22.512 -10.092 1.00 0.00 H new ATOM 850 N THR A 472 49.919 18.824 -7.221 1.00 0.00 N ATOM 851 CA THR A 472 50.805 19.554 -6.352 1.00 0.00 C ATOM 852 C THR A 472 52.207 19.556 -6.945 1.00 0.00 C ATOM 853 O THR A 472 52.484 18.818 -7.896 1.00 0.00 O ATOM 854 CB THR A 472 50.822 18.967 -4.912 1.00 0.00 C ATOM 855 OG1 THR A 472 51.650 19.766 -4.059 1.00 0.00 O ATOM 856 CG2 THR A 472 51.329 17.535 -4.907 1.00 0.00 C ATOM 0 H THR A 472 50.366 18.061 -7.730 1.00 0.00 H new ATOM 0 HA THR A 472 50.438 20.577 -6.274 1.00 0.00 H new ATOM 0 HB THR A 472 49.797 18.975 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 472 51.651 19.387 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.329 17.153 -3.886 1.00 0.00 H new ATOM 0 HG22 THR A 472 50.679 16.917 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 472 52.343 17.507 -5.305 1.00 0.00 H new ATOM 864 N ARG A 473 53.084 20.368 -6.387 1.00 0.00 N ATOM 865 CA ARG A 473 54.442 20.506 -6.901 1.00 0.00 C ATOM 866 C ARG A 473 55.255 19.236 -6.698 1.00 0.00 C ATOM 867 O ARG A 473 56.113 18.904 -7.517 1.00 0.00 O ATOM 868 CB ARG A 473 55.143 21.700 -6.251 1.00 0.00 C ATOM 869 CG ARG A 473 55.167 21.640 -4.731 1.00 0.00 C ATOM 870 CD ARG A 473 55.849 22.855 -4.136 1.00 0.00 C ATOM 871 NE ARG A 473 57.280 22.883 -4.431 1.00 0.00 N ATOM 872 CZ ARG A 473 58.058 23.952 -4.268 1.00 0.00 C ATOM 873 NH1 ARG A 473 57.536 25.104 -3.861 1.00 0.00 N ATOM 874 NH2 ARG A 473 59.354 23.878 -4.523 1.00 0.00 N ATOM 0 H ARG A 473 52.883 20.948 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 473 54.369 20.681 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 473 56.167 21.754 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 473 54.643 22.617 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 473 54.147 21.573 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 473 55.686 20.737 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 473 55.381 23.759 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 473 55.702 22.860 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 473 57.711 22.029 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 473 56.536 25.172 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 473 58.135 25.920 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 473 59.761 23.000 -4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 473 59.946 24.699 -4.397 1.00 0.00 H new ATOM 888 N ASP A 474 54.978 18.523 -5.618 1.00 0.00 N ATOM 889 CA ASP A 474 55.676 17.273 -5.329 1.00 0.00 C ATOM 890 C ASP A 474 55.298 16.204 -6.334 1.00 0.00 C ATOM 891 O ASP A 474 56.036 15.240 -6.543 1.00 0.00 O ATOM 892 CB ASP A 474 55.368 16.788 -3.912 1.00 0.00 C ATOM 893 CG ASP A 474 56.020 17.639 -2.855 1.00 0.00 C ATOM 894 OD1 ASP A 474 55.452 18.678 -2.488 1.00 0.00 O ATOM 895 OD2 ASP A 474 57.117 17.278 -2.388 1.00 0.00 O ATOM 0 H ASP A 474 54.276 18.785 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 474 56.746 17.465 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.289 16.788 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 474 55.706 15.757 -3.803 1.00 0.00 H new ATOM 900 N CYS A 475 54.145 16.382 -6.957 1.00 0.00 N ATOM 901 CA CYS A 475 53.663 15.456 -7.951 1.00 0.00 C ATOM 902 C CYS A 475 54.058 15.901 -9.360 1.00 0.00 C ATOM 903 O CYS A 475 54.019 15.101 -10.302 1.00 0.00 O ATOM 904 CB CYS A 475 52.149 15.300 -7.840 1.00 0.00 C ATOM 905 SG CYS A 475 51.594 14.471 -6.311 1.00 0.00 S ATOM 0 H CYS A 475 53.523 17.172 -6.784 1.00 0.00 H new ATOM 0 HA CYS A 475 54.128 14.488 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 475 51.688 16.286 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 475 51.789 14.733 -8.699 1.00 0.00 H new ATOM 910 N MET A 476 54.428 17.176 -9.507 1.00 0.00 N ATOM 911 CA MET A 476 54.858 17.701 -10.805 1.00 0.00 C ATOM 912 C MET A 476 56.131 17.015 -11.249 1.00 0.00 C ATOM 913 O MET A 476 57.162 17.115 -10.586 1.00 0.00 O ATOM 914 CB MET A 476 55.079 19.224 -10.769 1.00 0.00 C ATOM 915 CG MET A 476 53.810 20.050 -10.618 1.00 0.00 C ATOM 916 SD MET A 476 54.068 21.810 -10.972 1.00 0.00 S ATOM 917 CE MET A 476 55.439 22.204 -9.889 1.00 0.00 C ATOM 0 H MET A 476 54.439 17.859 -8.749 1.00 0.00 H new ATOM 0 HA MET A 476 54.059 17.496 -11.517 1.00 0.00 H new ATOM 0 HB2 MET A 476 55.750 19.460 -9.943 1.00 0.00 H new ATOM 0 HB3 MET A 476 55.585 19.525 -11.686 1.00 0.00 H new ATOM 0 HG2 MET A 476 53.045 19.658 -11.288 1.00 0.00 H new ATOM 0 HG3 MET A 476 53.430 19.941 -9.602 1.00 0.00 H new ATOM 0 HE1 MET A 476 55.103 22.891 -9.112 1.00 0.00 H new ATOM 0 HE2 MET A 476 55.813 21.290 -9.428 1.00 0.00 H new ATOM 0 HE3 MET A 476 56.236 22.671 -10.467 1.00 0.00 H new ATOM 927 N GLY A 477 56.054 16.310 -12.362 1.00 0.00 N ATOM 928 CA GLY A 477 57.208 15.602 -12.871 1.00 0.00 C ATOM 929 C GLY A 477 57.468 14.321 -12.108 1.00 0.00 C ATOM 930 O GLY A 477 58.500 13.675 -12.298 1.00 0.00 O ATOM 0 H GLY A 477 55.210 16.214 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 477 57.056 15.372 -13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 477 58.085 16.246 -12.808 1.00 0.00 H new ATOM 934 N ALA A 478 56.534 13.955 -11.247 1.00 0.00 N ATOM 935 CA ALA A 478 56.659 12.749 -10.457 1.00 0.00 C ATOM 936 C ALA A 478 55.659 11.694 -10.907 1.00 0.00 C ATOM 937 O ALA A 478 55.994 10.518 -11.002 1.00 0.00 O ATOM 938 CB ALA A 478 56.476 13.055 -8.983 1.00 0.00 C ATOM 0 H ALA A 478 55.677 14.482 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 478 57.663 12.352 -10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 478 56.574 12.136 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 478 57.236 13.767 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.487 13.482 -8.820 1.00 0.00 H new ATOM 944 N HIS A 479 54.426 12.116 -11.173 1.00 0.00 N ATOM 945 CA HIS A 479 53.397 11.179 -11.617 1.00 0.00 C ATOM 946 C HIS A 479 53.131 11.315 -13.098 1.00 0.00 C ATOM 947 O HIS A 479 53.513 10.445 -13.889 1.00 0.00 O ATOM 948 CB HIS A 479 52.081 11.372 -10.857 1.00 0.00 C ATOM 949 CG HIS A 479 52.164 11.137 -9.388 1.00 0.00 C ATOM 950 ND1 HIS A 479 52.677 10.006 -8.813 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.786 11.929 -8.375 1.00 0.00 C ATOM 952 CE1 HIS A 479 52.600 10.151 -7.484 1.00 0.00 C ATOM 953 NE2 HIS A 479 52.059 11.312 -7.167 1.00 0.00 N ATOM 0 H HIS A 479 54.117 13.085 -11.091 1.00 0.00 H new ATOM 0 HA HIS A 479 53.782 10.181 -11.407 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.725 12.388 -11.028 1.00 0.00 H new ATOM 0 HB3 HIS A 479 51.334 10.698 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 479 51.335 12.904 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 479 52.936 9.416 -6.767 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.880 11.677 -6.231 1.00 0.00 H new ATOM 961 N TRP A 480 52.483 12.415 -13.475 1.00 0.00 N ATOM 962 CA TRP A 480 52.086 12.627 -14.850 1.00 0.00 C ATOM 963 C TRP A 480 53.259 12.627 -15.810 1.00 0.00 C ATOM 964 O TRP A 480 54.326 13.171 -15.512 1.00 0.00 O ATOM 965 CB TRP A 480 51.231 13.890 -15.023 1.00 0.00 C ATOM 966 CG TRP A 480 51.653 15.066 -14.197 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.570 16.021 -14.519 1.00 0.00 C ATOM 968 CD2 TRP A 480 51.137 15.418 -12.917 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.655 16.948 -13.506 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.783 16.598 -12.510 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.191 14.840 -12.081 1.00 0.00 C ATOM 972 CZ2 TRP A 480 51.503 17.219 -11.288 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.912 15.451 -10.872 1.00 0.00 C ATOM 974 CH2 TRP A 480 50.566 16.629 -10.487 1.00 0.00 C ATOM 0 H TRP A 480 52.225 13.170 -12.840 1.00 0.00 H new ATOM 0 HA TRP A 480 51.464 11.770 -15.109 1.00 0.00 H new ATOM 0 HB2 TRP A 480 51.249 14.180 -16.074 1.00 0.00 H new ATOM 0 HB3 TRP A 480 50.198 13.646 -14.777 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.144 16.046 -15.433 1.00 0.00 H new ATOM 0 HE1 TRP A 480 53.268 17.763 -13.498 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.683 13.931 -12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 52.006 18.127 -10.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 49.177 15.013 -10.213 1.00 0.00 H new ATOM 0 HH2 TRP A 480 50.324 17.081 -9.536 1.00 0.00 H new ATOM 985 N PHE A 481 53.045 11.963 -16.949 1.00 0.00 N ATOM 986 CA PHE A 481 54.019 11.849 -18.046 1.00 0.00 C ATOM 987 C PHE A 481 55.071 10.771 -17.760 1.00 0.00 C ATOM 988 O PHE A 481 55.718 10.261 -18.678 1.00 0.00 O ATOM 989 CB PHE A 481 54.677 13.205 -18.366 1.00 0.00 C ATOM 990 CG PHE A 481 55.382 13.234 -19.690 1.00 0.00 C ATOM 991 CD1 PHE A 481 54.658 13.274 -20.869 1.00 0.00 C ATOM 992 CD2 PHE A 481 56.765 13.222 -19.758 1.00 0.00 C ATOM 993 CE1 PHE A 481 55.296 13.300 -22.090 1.00 0.00 C ATOM 994 CE2 PHE A 481 57.411 13.247 -20.978 1.00 0.00 C ATOM 995 CZ PHE A 481 56.673 13.287 -22.145 1.00 0.00 C ATOM 0 H PHE A 481 52.169 11.477 -17.142 1.00 0.00 H new ATOM 0 HA PHE A 481 53.467 11.538 -18.933 1.00 0.00 H new ATOM 0 HB2 PHE A 481 53.913 13.982 -18.354 1.00 0.00 H new ATOM 0 HB3 PHE A 481 55.391 13.448 -17.579 1.00 0.00 H new ATOM 0 HD1 PHE A 481 53.579 13.285 -20.831 1.00 0.00 H new ATOM 0 HD2 PHE A 481 57.344 13.193 -18.847 1.00 0.00 H new ATOM 0 HE1 PHE A 481 54.718 13.331 -23.002 1.00 0.00 H new ATOM 0 HE2 PHE A 481 58.490 13.235 -21.020 1.00 0.00 H new ATOM 0 HZ PHE A 481 57.175 13.308 -23.101 1.00 0.00 H new ATOM 1005 N GLY A 482 55.221 10.416 -16.494 1.00 0.00 N ATOM 1006 CA GLY A 482 56.171 9.396 -16.121 1.00 0.00 C ATOM 1007 C GLY A 482 57.602 9.877 -16.214 1.00 0.00 C ATOM 1008 O GLY A 482 57.842 11.083 -16.012 1.00 0.00 O ATOM 1009 OXT GLY A 482 58.490 9.051 -16.486 1.00 0.00 O ATOM 0 H GLY A 482 54.698 10.819 -15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 482 55.966 9.069 -15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 482 56.040 8.528 -16.767 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.734 16.059 -10.421 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 50.353 12.659 -6.427 1.00 0.00 ZN