USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 317 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 474 HIS HE2 : A 474 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 478 HIS HE2 : A 478 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 448 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 451 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.28) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 SER OG : rot 47:sc= 0.14 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 473 LYS NZ :NH3+ -159:sc= -0.037 (180deg=-0.27) USER MOD Single : A 479 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 482 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 484 SER OG : rot 180:sc= 0 USER MOD Single : A 487 SER OG : rot 180:sc= -0.232 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 32.042 28.497 8.838 1.00 0.00 N ATOM 2 CA GLY A 444 30.880 28.323 7.986 1.00 0.00 C ATOM 3 C GLY A 444 30.870 26.979 7.286 1.00 0.00 C ATOM 4 O GLY A 444 30.590 26.896 6.091 1.00 0.00 O ATOM 0 HA2 GLY A 444 29.975 28.423 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 444 30.858 29.118 7.240 1.00 0.00 H new ATOM 8 N SER A 445 31.178 25.923 8.033 1.00 0.00 N ATOM 9 CA SER A 445 31.209 24.576 7.475 1.00 0.00 C ATOM 10 C SER A 445 29.837 23.915 7.575 1.00 0.00 C ATOM 11 O SER A 445 29.054 24.217 8.476 1.00 0.00 O ATOM 12 CB SER A 445 32.251 23.724 8.202 1.00 0.00 C ATOM 13 OG SER A 445 32.784 22.729 7.346 1.00 0.00 O ATOM 0 H SER A 445 31.409 25.974 9.025 1.00 0.00 H new ATOM 0 HA SER A 445 31.482 24.652 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 445 33.055 24.362 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 445 31.796 23.253 9.073 1.00 0.00 H new ATOM 0 HG SER A 445 33.449 22.199 7.834 1.00 0.00 H new ATOM 19 N SER A 446 29.553 23.013 6.641 1.00 0.00 N ATOM 20 CA SER A 446 28.274 22.312 6.620 1.00 0.00 C ATOM 21 C SER A 446 28.452 20.846 7.006 1.00 0.00 C ATOM 22 O SER A 446 27.565 20.238 7.604 1.00 0.00 O ATOM 23 CB SER A 446 27.637 22.411 5.233 1.00 0.00 C ATOM 24 OG SER A 446 27.680 23.742 4.746 1.00 0.00 O ATOM 0 H SER A 446 30.191 22.750 5.889 1.00 0.00 H new ATOM 0 HA SER A 446 27.616 22.785 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 446 28.160 21.750 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 446 26.603 22.070 5.279 1.00 0.00 H new ATOM 0 HG SER A 446 27.268 23.779 3.857 1.00 0.00 H new ATOM 30 N GLY A 447 29.606 20.285 6.660 1.00 0.00 N ATOM 31 CA GLY A 447 29.881 18.896 6.978 1.00 0.00 C ATOM 32 C GLY A 447 30.371 18.112 5.777 1.00 0.00 C ATOM 33 O GLY A 447 31.570 18.071 5.502 1.00 0.00 O ATOM 0 H GLY A 447 30.356 20.768 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 447 30.630 18.849 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 447 28.976 18.430 7.368 1.00 0.00 H new ATOM 37 N SER A 448 29.442 17.487 5.060 1.00 0.00 N ATOM 38 CA SER A 448 29.788 16.696 3.885 1.00 0.00 C ATOM 39 C SER A 448 28.689 16.784 2.830 1.00 0.00 C ATOM 40 O SER A 448 27.655 17.415 3.045 1.00 0.00 O ATOM 41 CB SER A 448 30.019 15.236 4.277 1.00 0.00 C ATOM 42 OG SER A 448 28.921 14.726 5.015 1.00 0.00 O ATOM 0 H SER A 448 28.445 17.513 5.272 1.00 0.00 H new ATOM 0 HA SER A 448 30.708 17.100 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 448 30.169 14.635 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 448 30.929 15.155 4.871 1.00 0.00 H new ATOM 0 HG SER A 448 29.092 13.791 5.252 1.00 0.00 H new ATOM 48 N SER A 449 28.923 16.146 1.687 1.00 0.00 N ATOM 49 CA SER A 449 27.956 16.154 0.596 1.00 0.00 C ATOM 50 C SER A 449 26.954 15.014 0.749 1.00 0.00 C ATOM 51 O SER A 449 27.194 13.895 0.296 1.00 0.00 O ATOM 52 CB SER A 449 28.674 16.039 -0.751 1.00 0.00 C ATOM 53 OG SER A 449 27.746 15.965 -1.819 1.00 0.00 O ATOM 0 H SER A 449 29.774 15.617 1.493 1.00 0.00 H new ATOM 0 HA SER A 449 27.413 17.099 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 449 29.328 16.899 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 449 29.308 15.152 -0.754 1.00 0.00 H new ATOM 0 HG SER A 449 28.230 15.894 -2.668 1.00 0.00 H new ATOM 59 N GLY A 450 25.828 15.306 1.393 1.00 0.00 N ATOM 60 CA GLY A 450 24.805 14.297 1.596 1.00 0.00 C ATOM 61 C GLY A 450 25.275 13.167 2.491 1.00 0.00 C ATOM 62 O GLY A 450 25.333 13.316 3.712 1.00 0.00 O ATOM 0 H GLY A 450 25.606 16.224 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 450 23.923 14.762 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 450 24.503 13.890 0.631 1.00 0.00 H new ATOM 66 N THR A 451 25.610 12.033 1.884 1.00 0.00 N ATOM 67 CA THR A 451 26.074 10.873 2.635 1.00 0.00 C ATOM 68 C THR A 451 25.044 10.440 3.671 1.00 0.00 C ATOM 69 O THR A 451 25.390 9.872 4.706 1.00 0.00 O ATOM 70 CB THR A 451 27.410 11.161 3.345 1.00 0.00 C ATOM 71 OG1 THR A 451 28.205 12.050 2.552 1.00 0.00 O ATOM 72 CG2 THR A 451 28.179 9.873 3.596 1.00 0.00 C ATOM 0 H THR A 451 25.569 11.893 0.874 1.00 0.00 H new ATOM 0 HA THR A 451 26.220 10.068 1.914 1.00 0.00 H new ATOM 0 HB THR A 451 27.192 11.628 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 451 29.052 12.229 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 451 29.119 10.102 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 451 27.584 9.210 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 451 28.386 9.382 2.645 1.00 0.00 H new ATOM 80 N GLY A 452 23.774 10.713 3.386 1.00 0.00 N ATOM 81 CA GLY A 452 22.712 10.343 4.304 1.00 0.00 C ATOM 82 C GLY A 452 21.865 9.200 3.781 1.00 0.00 C ATOM 83 O GLY A 452 22.108 8.690 2.687 1.00 0.00 O ATOM 0 H GLY A 452 23.462 11.183 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 452 23.147 10.060 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 452 22.076 11.209 4.486 1.00 0.00 H new ATOM 87 N GLU A 453 20.870 8.796 4.564 1.00 0.00 N ATOM 88 CA GLU A 453 19.987 7.703 4.174 1.00 0.00 C ATOM 89 C GLU A 453 18.531 8.045 4.477 1.00 0.00 C ATOM 90 O GLU A 453 18.240 9.050 5.127 1.00 0.00 O ATOM 91 CB GLU A 453 20.381 6.415 4.900 1.00 0.00 C ATOM 92 CG GLU A 453 20.439 6.561 6.411 1.00 0.00 C ATOM 93 CD GLU A 453 21.786 7.059 6.898 1.00 0.00 C ATOM 94 OE1 GLU A 453 22.818 6.541 6.422 1.00 0.00 O ATOM 95 OE2 GLU A 453 21.807 7.967 7.755 1.00 0.00 O ATOM 0 H GLU A 453 20.655 9.209 5.472 1.00 0.00 H new ATOM 0 HA GLU A 453 20.091 7.552 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 453 19.666 5.632 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 453 21.355 6.087 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 453 19.661 7.252 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 453 20.223 5.598 6.874 1.00 0.00 H new ATOM 102 N LYS A 454 17.620 7.204 4.001 1.00 0.00 N ATOM 103 CA LYS A 454 16.194 7.415 4.220 1.00 0.00 C ATOM 104 C LYS A 454 15.577 6.234 4.964 1.00 0.00 C ATOM 105 O LYS A 454 15.888 5.077 4.678 1.00 0.00 O ATOM 106 CB LYS A 454 15.477 7.620 2.884 1.00 0.00 C ATOM 107 CG LYS A 454 13.989 7.888 3.027 1.00 0.00 C ATOM 108 CD LYS A 454 13.710 9.357 3.297 1.00 0.00 C ATOM 109 CE LYS A 454 12.224 9.668 3.207 1.00 0.00 C ATOM 110 NZ LYS A 454 11.931 11.084 3.563 1.00 0.00 N ATOM 0 H LYS A 454 17.844 6.369 3.460 1.00 0.00 H new ATOM 0 HA LYS A 454 16.074 8.310 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 454 15.939 8.455 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.620 6.735 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 454 13.474 7.580 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 454 13.586 7.285 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 454 14.079 9.622 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 454 14.255 9.970 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.872 9.468 2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 454 11.673 9.004 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 10.908 11.256 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.244 11.269 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 12.436 11.718 2.911 1.00 0.00 H new ATOM 124 N LEU A 455 14.703 6.533 5.917 1.00 0.00 N ATOM 125 CA LEU A 455 14.041 5.496 6.701 1.00 0.00 C ATOM 126 C LEU A 455 12.663 5.178 6.129 1.00 0.00 C ATOM 127 O LEU A 455 11.733 5.977 6.240 1.00 0.00 O ATOM 128 CB LEU A 455 13.910 5.938 8.160 1.00 0.00 C ATOM 129 CG LEU A 455 15.184 5.856 9.002 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.005 6.605 10.314 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.560 4.405 9.261 1.00 0.00 C ATOM 0 H LEU A 455 14.436 7.485 6.166 1.00 0.00 H new ATOM 0 HA LEU A 455 14.651 4.594 6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.553 6.968 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.143 5.327 8.637 1.00 0.00 H new ATOM 0 HG LEU A 455 15.995 6.326 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 455 15.921 6.536 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.784 7.652 10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.181 6.164 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.469 4.366 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.750 3.909 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.731 3.898 8.311 1.00 0.00 H new ATOM 143 N TYR A 456 12.538 4.004 5.520 1.00 0.00 N ATOM 144 CA TYR A 456 11.274 3.579 4.931 1.00 0.00 C ATOM 145 C TYR A 456 10.340 3.011 5.996 1.00 0.00 C ATOM 146 O TYR A 456 10.720 2.126 6.761 1.00 0.00 O ATOM 147 CB TYR A 456 11.521 2.533 3.843 1.00 0.00 C ATOM 148 CG TYR A 456 12.595 2.929 2.855 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.581 4.179 2.248 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.623 2.053 2.528 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.560 4.545 1.344 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.606 2.411 1.626 1.00 0.00 C ATOM 153 CZ TYR A 456 14.571 3.658 1.037 1.00 0.00 C ATOM 154 OH TYR A 456 15.548 4.017 0.138 1.00 0.00 O ATOM 0 H TYR A 456 13.297 3.330 5.421 1.00 0.00 H new ATOM 0 HA TYR A 456 10.798 4.452 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.802 1.591 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.591 2.355 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.792 4.876 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.654 1.076 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.534 5.520 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.398 1.718 1.383 1.00 0.00 H new ATOM 0 HH TYR A 456 16.185 3.279 0.035 1.00 0.00 H new ATOM 164 N ASN A 457 9.116 3.527 6.036 1.00 0.00 N ATOM 165 CA ASN A 457 8.127 3.072 7.006 1.00 0.00 C ATOM 166 C ASN A 457 6.788 3.768 6.784 1.00 0.00 C ATOM 167 O ASN A 457 6.731 4.982 6.588 1.00 0.00 O ATOM 168 CB ASN A 457 8.620 3.334 8.431 1.00 0.00 C ATOM 169 CG ASN A 457 9.284 4.690 8.572 1.00 0.00 C ATOM 170 OD1 ASN A 457 8.967 5.628 7.841 1.00 0.00 O ATOM 171 ND2 ASN A 457 10.212 4.799 9.517 1.00 0.00 N ATOM 0 H ASN A 457 8.785 4.260 5.408 1.00 0.00 H new ATOM 0 HA ASN A 457 7.987 2.000 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 457 7.779 3.271 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 457 9.326 2.555 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 457 10.693 5.687 9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 457 10.443 3.995 10.100 1.00 0.00 H new ATOM 178 N CYS A 458 5.710 2.991 6.818 1.00 0.00 N ATOM 179 CA CYS A 458 4.371 3.531 6.620 1.00 0.00 C ATOM 180 C CYS A 458 3.824 4.118 7.918 1.00 0.00 C ATOM 181 O CYS A 458 4.024 3.561 8.998 1.00 0.00 O ATOM 182 CB CYS A 458 3.429 2.440 6.106 1.00 0.00 C ATOM 183 SG CYS A 458 1.852 3.070 5.447 1.00 0.00 S ATOM 0 H CYS A 458 5.739 1.985 6.981 1.00 0.00 H new ATOM 0 HA CYS A 458 4.434 4.327 5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 458 3.937 1.875 5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.219 1.744 6.918 1.00 0.00 H new ATOM 188 N LYS A 459 3.133 5.248 7.805 1.00 0.00 N ATOM 189 CA LYS A 459 2.556 5.912 8.968 1.00 0.00 C ATOM 190 C LYS A 459 1.032 5.863 8.922 1.00 0.00 C ATOM 191 O LYS A 459 0.370 5.915 9.957 1.00 0.00 O ATOM 192 CB LYS A 459 3.029 7.366 9.037 1.00 0.00 C ATOM 193 CG LYS A 459 4.540 7.514 9.064 1.00 0.00 C ATOM 194 CD LYS A 459 5.112 7.652 7.663 1.00 0.00 C ATOM 195 CE LYS A 459 6.421 8.426 7.669 1.00 0.00 C ATOM 196 NZ LYS A 459 6.196 9.897 7.630 1.00 0.00 N ATOM 0 H LYS A 459 2.959 5.723 6.919 1.00 0.00 H new ATOM 0 HA LYS A 459 2.892 5.384 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 459 2.635 7.909 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.611 7.833 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 459 4.810 8.388 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 459 4.983 6.647 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 459 5.275 6.662 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 459 4.391 8.160 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 459 6.990 8.169 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.023 8.128 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 7.112 10.389 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 5.675 10.146 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 5.643 10.186 8.462 1.00 0.00 H new ATOM 210 N GLU A 460 0.484 5.760 7.715 1.00 0.00 N ATOM 211 CA GLU A 460 -0.962 5.704 7.536 1.00 0.00 C ATOM 212 C GLU A 460 -1.563 4.545 8.326 1.00 0.00 C ATOM 213 O GLU A 460 -2.388 4.748 9.217 1.00 0.00 O ATOM 214 CB GLU A 460 -1.309 5.559 6.053 1.00 0.00 C ATOM 215 CG GLU A 460 -0.880 6.747 5.208 1.00 0.00 C ATOM 216 CD GLU A 460 -1.310 8.072 5.805 1.00 0.00 C ATOM 217 OE1 GLU A 460 -2.454 8.499 5.539 1.00 0.00 O ATOM 218 OE2 GLU A 460 -0.504 8.684 6.537 1.00 0.00 O ATOM 0 H GLU A 460 1.019 5.714 6.848 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.386 6.635 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.835 4.658 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.386 5.422 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.204 6.737 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.303 6.649 4.208 1.00 0.00 H new ATOM 225 N CYS A 461 -1.144 3.329 7.992 1.00 0.00 N ATOM 226 CA CYS A 461 -1.640 2.136 8.668 1.00 0.00 C ATOM 227 C CYS A 461 -0.646 1.654 9.720 1.00 0.00 C ATOM 228 O CYS A 461 -1.022 0.998 10.690 1.00 0.00 O ATOM 229 CB CYS A 461 -1.906 1.022 7.653 1.00 0.00 C ATOM 230 SG CYS A 461 -0.398 0.309 6.920 1.00 0.00 S ATOM 0 H CYS A 461 -0.462 3.144 7.257 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.574 2.394 9.167 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.471 0.228 8.141 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.535 1.415 6.854 1.00 0.00 H new ATOM 235 N GLY A 462 0.626 1.985 9.520 1.00 0.00 N ATOM 236 CA GLY A 462 1.655 1.578 10.459 1.00 0.00 C ATOM 237 C GLY A 462 2.081 0.136 10.263 1.00 0.00 C ATOM 238 O GLY A 462 1.910 -0.696 11.154 1.00 0.00 O ATOM 0 H GLY A 462 0.962 2.528 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.523 2.228 10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.287 1.710 11.476 1.00 0.00 H new ATOM 242 N LYS A 463 2.637 -0.161 9.093 1.00 0.00 N ATOM 243 CA LYS A 463 3.089 -1.512 8.782 1.00 0.00 C ATOM 244 C LYS A 463 4.480 -1.489 8.157 1.00 0.00 C ATOM 245 O LYS A 463 4.665 -0.987 7.048 1.00 0.00 O ATOM 246 CB LYS A 463 2.103 -2.196 7.833 1.00 0.00 C ATOM 247 CG LYS A 463 0.797 -2.595 8.497 1.00 0.00 C ATOM 248 CD LYS A 463 -0.172 -3.209 7.500 1.00 0.00 C ATOM 249 CE LYS A 463 0.196 -4.650 7.180 1.00 0.00 C ATOM 250 NZ LYS A 463 -0.782 -5.279 6.250 1.00 0.00 N ATOM 0 H LYS A 463 2.785 0.516 8.345 1.00 0.00 H new ATOM 0 HA LYS A 463 3.137 -2.076 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.888 -1.525 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.573 -3.085 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.998 -3.308 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.340 -1.719 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -1.184 -3.172 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -0.173 -2.620 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.191 -4.681 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.241 -5.227 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -0.496 -6.260 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -1.727 -5.273 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.807 -4.744 5.359 1.00 0.00 H new ATOM 264 N SER A 464 5.456 -2.037 8.874 1.00 0.00 N ATOM 265 CA SER A 464 6.831 -2.078 8.390 1.00 0.00 C ATOM 266 C SER A 464 7.084 -3.346 7.580 1.00 0.00 C ATOM 267 O SER A 464 7.277 -4.425 8.139 1.00 0.00 O ATOM 268 CB SER A 464 7.809 -2.004 9.564 1.00 0.00 C ATOM 269 OG SER A 464 7.414 -2.872 10.612 1.00 0.00 O ATOM 0 H SER A 464 5.320 -2.459 9.793 1.00 0.00 H new ATOM 0 HA SER A 464 6.988 -1.217 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.810 -2.270 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.860 -0.980 9.935 1.00 0.00 H new ATOM 0 HG SER A 464 7.183 -3.749 10.241 1.00 0.00 H new ATOM 275 N PHE A 465 7.082 -3.206 6.258 1.00 0.00 N ATOM 276 CA PHE A 465 7.311 -4.339 5.370 1.00 0.00 C ATOM 277 C PHE A 465 8.751 -4.832 5.475 1.00 0.00 C ATOM 278 O PHE A 465 9.618 -4.139 6.009 1.00 0.00 O ATOM 279 CB PHE A 465 6.997 -3.952 3.923 1.00 0.00 C ATOM 280 CG PHE A 465 5.527 -3.897 3.623 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.712 -2.970 4.252 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.959 -4.773 2.711 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.358 -2.916 3.977 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.607 -4.724 2.432 1.00 0.00 C ATOM 285 CZ PHE A 465 2.805 -3.795 3.067 1.00 0.00 C ATOM 0 H PHE A 465 6.924 -2.319 5.779 1.00 0.00 H new ATOM 0 HA PHE A 465 6.646 -5.147 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.440 -2.979 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.470 -4.670 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.139 -2.281 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.581 -5.502 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.734 -2.187 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.177 -5.411 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.747 -3.757 2.852 1.00 0.00 H new ATOM 295 N SER A 466 8.999 -6.033 4.964 1.00 0.00 N ATOM 296 CA SER A 466 10.333 -6.621 5.004 1.00 0.00 C ATOM 297 C SER A 466 11.232 -6.002 3.939 1.00 0.00 C ATOM 298 O SER A 466 12.363 -5.606 4.219 1.00 0.00 O ATOM 299 CB SER A 466 10.252 -8.136 4.803 1.00 0.00 C ATOM 300 OG SER A 466 11.475 -8.650 4.306 1.00 0.00 O ATOM 0 H SER A 466 8.293 -6.619 4.517 1.00 0.00 H new ATOM 0 HA SER A 466 10.765 -6.414 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 466 10.009 -8.619 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 466 9.446 -8.371 4.108 1.00 0.00 H new ATOM 0 HG SER A 466 11.398 -9.620 4.188 1.00 0.00 H new ATOM 306 N ARG A 467 10.719 -5.922 2.715 1.00 0.00 N ATOM 307 CA ARG A 467 11.475 -5.353 1.606 1.00 0.00 C ATOM 308 C ARG A 467 11.370 -3.830 1.601 1.00 0.00 C ATOM 309 O ARG A 467 10.333 -3.269 1.955 1.00 0.00 O ATOM 310 CB ARG A 467 10.971 -5.914 0.275 1.00 0.00 C ATOM 311 CG ARG A 467 11.232 -7.401 0.103 1.00 0.00 C ATOM 312 CD ARG A 467 11.006 -7.844 -1.334 1.00 0.00 C ATOM 313 NE ARG A 467 12.189 -7.635 -2.164 1.00 0.00 N ATOM 314 CZ ARG A 467 12.335 -8.154 -3.378 1.00 0.00 C ATOM 315 NH1 ARG A 467 11.377 -8.907 -3.901 1.00 0.00 N ATOM 316 NH2 ARG A 467 13.441 -7.918 -4.073 1.00 0.00 N ATOM 0 H ARG A 467 9.784 -6.244 2.467 1.00 0.00 H new ATOM 0 HA ARG A 467 12.522 -5.628 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.900 -5.730 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.449 -5.373 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 467 12.256 -7.628 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.577 -7.966 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 467 10.734 -8.900 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 467 10.166 -7.292 -1.755 1.00 0.00 H new ATOM 0 HE ARG A 467 12.944 -7.059 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 467 10.525 -9.089 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 467 11.492 -9.304 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 467 14.179 -7.338 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 467 13.552 -8.317 -5.005 1.00 0.00 H new ATOM 330 N ALA A 468 12.450 -3.169 1.198 1.00 0.00 N ATOM 331 CA ALA A 468 12.478 -1.712 1.146 1.00 0.00 C ATOM 332 C ALA A 468 11.765 -1.194 -0.099 1.00 0.00 C ATOM 333 O ALA A 468 10.845 -0.379 -0.022 1.00 0.00 O ATOM 334 CB ALA A 468 13.914 -1.211 1.181 1.00 0.00 C ATOM 0 H ALA A 468 13.317 -3.619 0.903 1.00 0.00 H new ATOM 0 HA ALA A 468 11.950 -1.331 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.920 -0.122 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.393 -1.544 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.459 -1.608 0.325 1.00 0.00 H new ATOM 340 N PRO A 469 12.197 -1.676 -1.273 1.00 0.00 N ATOM 341 CA PRO A 469 11.614 -1.274 -2.557 1.00 0.00 C ATOM 342 C PRO A 469 10.090 -1.331 -2.544 1.00 0.00 C ATOM 343 O PRO A 469 9.420 -0.375 -2.936 1.00 0.00 O ATOM 344 CB PRO A 469 12.179 -2.302 -3.540 1.00 0.00 C ATOM 345 CG PRO A 469 13.455 -2.756 -2.922 1.00 0.00 C ATOM 346 CD PRO A 469 13.289 -2.650 -1.439 1.00 0.00 C ATOM 0 HA PRO A 469 11.858 -0.242 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.490 -3.134 -3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.350 -1.859 -4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.679 -3.783 -3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.288 -2.140 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.036 -3.613 -0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.205 -2.308 -0.958 1.00 0.00 H new ATOM 354 N CYS A 470 9.548 -2.456 -2.091 1.00 0.00 N ATOM 355 CA CYS A 470 8.103 -2.638 -2.027 1.00 0.00 C ATOM 356 C CYS A 470 7.475 -1.661 -1.039 1.00 0.00 C ATOM 357 O CYS A 470 6.445 -1.048 -1.324 1.00 0.00 O ATOM 358 CB CYS A 470 7.765 -4.075 -1.627 1.00 0.00 C ATOM 359 SG CYS A 470 8.405 -5.327 -2.762 1.00 0.00 S ATOM 0 H CYS A 470 10.088 -3.256 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 470 7.693 -2.439 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.163 -4.266 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.682 -4.178 -1.563 1.00 0.00 H new ATOM 0 HG CYS A 470 8.070 -6.509 -2.338 1.00 0.00 H new ATOM 365 N LEU A 471 8.100 -1.521 0.125 1.00 0.00 N ATOM 366 CA LEU A 471 7.603 -0.619 1.158 1.00 0.00 C ATOM 367 C LEU A 471 7.386 0.783 0.598 1.00 0.00 C ATOM 368 O LEU A 471 6.326 1.382 0.787 1.00 0.00 O ATOM 369 CB LEU A 471 8.582 -0.566 2.332 1.00 0.00 C ATOM 370 CG LEU A 471 8.192 0.351 3.491 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.782 0.039 3.968 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.186 0.218 4.635 1.00 0.00 C ATOM 0 H LEU A 471 8.953 -2.021 0.377 1.00 0.00 H new ATOM 0 HA LEU A 471 6.645 -1.002 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.707 -1.577 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.554 -0.248 1.954 1.00 0.00 H new ATOM 0 HG LEU A 471 8.213 1.381 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.522 0.702 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 471 6.079 0.188 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.733 -0.996 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.892 0.878 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.198 -0.813 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.181 0.493 4.286 1.00 0.00 H new ATOM 384 N LEU A 472 8.396 1.301 -0.093 1.00 0.00 N ATOM 385 CA LEU A 472 8.316 2.633 -0.683 1.00 0.00 C ATOM 386 C LEU A 472 7.095 2.754 -1.590 1.00 0.00 C ATOM 387 O LEU A 472 6.545 3.841 -1.767 1.00 0.00 O ATOM 388 CB LEU A 472 9.587 2.938 -1.477 1.00 0.00 C ATOM 389 CG LEU A 472 10.810 3.347 -0.654 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.088 2.868 -1.325 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.840 4.856 -0.459 1.00 0.00 C ATOM 0 H LEU A 472 9.280 0.819 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 472 8.218 3.357 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.846 2.056 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.366 3.737 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 472 10.740 2.876 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.948 3.168 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 472 12.068 1.782 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.166 3.311 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.716 5.130 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.887 5.348 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.938 5.173 0.065 1.00 0.00 H new ATOM 403 N LYS A 473 6.675 1.630 -2.161 1.00 0.00 N ATOM 404 CA LYS A 473 5.517 1.608 -3.047 1.00 0.00 C ATOM 405 C LYS A 473 4.220 1.572 -2.246 1.00 0.00 C ATOM 406 O LYS A 473 3.210 2.145 -2.655 1.00 0.00 O ATOM 407 CB LYS A 473 5.587 0.398 -3.980 1.00 0.00 C ATOM 408 CG LYS A 473 6.863 0.335 -4.802 1.00 0.00 C ATOM 409 CD LYS A 473 6.708 1.056 -6.130 1.00 0.00 C ATOM 410 CE LYS A 473 8.025 1.656 -6.596 1.00 0.00 C ATOM 411 NZ LYS A 473 8.450 2.798 -5.738 1.00 0.00 N ATOM 0 H LYS A 473 7.120 0.722 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 473 5.529 2.520 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.502 -0.513 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.731 0.420 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 473 7.682 0.781 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.130 -0.706 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 473 6.338 0.359 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 473 5.962 1.845 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 473 8.798 0.887 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 473 7.925 1.994 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 9.123 3.393 -6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.618 3.364 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 8.906 2.434 -4.877 1.00 0.00 H new ATOM 425 N HIS A 474 4.254 0.896 -1.102 1.00 0.00 N ATOM 426 CA HIS A 474 3.081 0.788 -0.242 1.00 0.00 C ATOM 427 C HIS A 474 2.652 2.160 0.268 1.00 0.00 C ATOM 428 O HIS A 474 1.470 2.501 0.241 1.00 0.00 O ATOM 429 CB HIS A 474 3.371 -0.140 0.938 1.00 0.00 C ATOM 430 CG HIS A 474 2.279 -0.165 1.963 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.064 -0.781 1.752 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.225 0.353 3.212 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.308 -0.640 2.826 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.990 0.044 3.727 1.00 0.00 N ATOM 0 H HIS A 474 5.081 0.415 -0.749 1.00 0.00 H new ATOM 0 HA HIS A 474 2.266 0.369 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.530 -1.151 0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.299 0.173 1.416 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.791 -1.270 0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 474 3.007 0.906 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.696 -1.019 2.947 1.00 0.00 H new ATOM 442 N GLU A 475 3.622 2.943 0.732 1.00 0.00 N ATOM 443 CA GLU A 475 3.343 4.278 1.250 1.00 0.00 C ATOM 444 C GLU A 475 2.644 5.134 0.198 1.00 0.00 C ATOM 445 O GLU A 475 1.915 6.070 0.528 1.00 0.00 O ATOM 446 CB GLU A 475 4.639 4.956 1.698 1.00 0.00 C ATOM 447 CG GLU A 475 5.381 4.196 2.784 1.00 0.00 C ATOM 448 CD GLU A 475 6.652 4.896 3.223 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.553 5.901 3.957 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.746 4.438 2.831 1.00 0.00 O ATOM 0 H GLU A 475 4.606 2.676 0.760 1.00 0.00 H new ATOM 0 HA GLU A 475 2.680 4.176 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.295 5.072 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.408 5.958 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.725 4.068 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.627 3.198 2.420 1.00 0.00 H new ATOM 457 N ARG A 476 2.874 4.808 -1.070 1.00 0.00 N ATOM 458 CA ARG A 476 2.269 5.548 -2.171 1.00 0.00 C ATOM 459 C ARG A 476 0.851 5.054 -2.443 1.00 0.00 C ATOM 460 O ARG A 476 -0.040 5.840 -2.769 1.00 0.00 O ATOM 461 CB ARG A 476 3.120 5.411 -3.434 1.00 0.00 C ATOM 462 CG ARG A 476 4.480 6.082 -3.329 1.00 0.00 C ATOM 463 CD ARG A 476 5.099 6.304 -4.699 1.00 0.00 C ATOM 464 NE ARG A 476 6.026 7.433 -4.705 1.00 0.00 N ATOM 465 CZ ARG A 476 6.777 7.762 -5.750 1.00 0.00 C ATOM 466 NH1 ARG A 476 6.711 7.053 -6.868 1.00 0.00 N ATOM 467 NH2 ARG A 476 7.596 8.804 -5.678 1.00 0.00 N ATOM 0 H ARG A 476 3.475 4.036 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 476 2.221 6.599 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.263 4.353 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.577 5.840 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.376 7.038 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.145 5.466 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 476 5.625 5.401 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.309 6.480 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 476 6.101 8.000 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 476 6.082 6.252 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 476 7.289 7.308 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 476 7.649 9.353 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 476 8.172 9.056 -6.481 1.00 0.00 H new ATOM 481 N LEU A 477 0.649 3.748 -2.309 1.00 0.00 N ATOM 482 CA LEU A 477 -0.660 3.148 -2.541 1.00 0.00 C ATOM 483 C LEU A 477 -1.725 3.814 -1.676 1.00 0.00 C ATOM 484 O LEU A 477 -2.874 3.967 -2.094 1.00 0.00 O ATOM 485 CB LEU A 477 -0.615 1.647 -2.249 1.00 0.00 C ATOM 486 CG LEU A 477 0.157 0.791 -3.253 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.131 -0.672 -2.839 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.416 0.962 -4.652 1.00 0.00 C ATOM 0 H LEU A 477 1.375 3.084 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.921 3.300 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.173 1.502 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.639 1.276 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 477 1.194 1.125 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.686 -1.266 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.590 -0.780 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.901 -1.020 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.146 0.345 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.462 0.655 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.343 2.008 -4.950 1.00 0.00 H new ATOM 500 N HIS A 478 -1.336 4.211 -0.468 1.00 0.00 N ATOM 501 CA HIS A 478 -2.258 4.864 0.455 1.00 0.00 C ATOM 502 C HIS A 478 -2.783 6.170 -0.134 1.00 0.00 C ATOM 503 O HIS A 478 -2.020 7.107 -0.370 1.00 0.00 O ATOM 504 CB HIS A 478 -1.566 5.136 1.791 1.00 0.00 C ATOM 505 CG HIS A 478 -1.567 3.958 2.717 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.627 3.652 3.544 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.630 3.008 2.941 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.341 2.566 4.239 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.135 2.154 3.892 1.00 0.00 N ATOM 0 H HIS A 478 -0.390 4.092 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.103 4.195 0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.536 5.439 1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.060 5.974 2.282 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.496 4.182 3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.335 2.934 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.984 2.095 4.967 1.00 0.00 H new ATOM 517 N SER A 479 -4.090 6.224 -0.369 1.00 0.00 N ATOM 518 CA SER A 479 -4.717 7.413 -0.934 1.00 0.00 C ATOM 519 C SER A 479 -4.702 8.563 0.068 1.00 0.00 C ATOM 520 O SER A 479 -4.582 8.350 1.273 1.00 0.00 O ATOM 521 CB SER A 479 -6.156 7.106 -1.355 1.00 0.00 C ATOM 522 OG SER A 479 -6.827 8.282 -1.772 1.00 0.00 O ATOM 0 H SER A 479 -4.735 5.458 -0.177 1.00 0.00 H new ATOM 0 HA SER A 479 -4.146 7.712 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 479 -6.153 6.378 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 479 -6.693 6.653 -0.522 1.00 0.00 H new ATOM 0 HG SER A 479 -7.744 8.059 -2.037 1.00 0.00 H new ATOM 528 N GLY A 480 -4.826 9.785 -0.442 1.00 0.00 N ATOM 529 CA GLY A 480 -4.825 10.952 0.421 1.00 0.00 C ATOM 530 C GLY A 480 -5.812 12.009 -0.032 1.00 0.00 C ATOM 531 O GLY A 480 -6.810 12.264 0.641 1.00 0.00 O ATOM 0 H GLY A 480 -4.927 9.987 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -5.066 10.647 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -3.823 11.381 0.445 1.00 0.00 H new ATOM 535 N GLU A 481 -5.533 12.627 -1.175 1.00 0.00 N ATOM 536 CA GLU A 481 -6.404 13.664 -1.715 1.00 0.00 C ATOM 537 C GLU A 481 -7.715 13.067 -2.218 1.00 0.00 C ATOM 538 O GLU A 481 -7.728 12.273 -3.159 1.00 0.00 O ATOM 539 CB GLU A 481 -5.701 14.411 -2.851 1.00 0.00 C ATOM 540 CG GLU A 481 -4.340 14.965 -2.465 1.00 0.00 C ATOM 541 CD GLU A 481 -3.640 15.651 -3.623 1.00 0.00 C ATOM 542 OE1 GLU A 481 -3.919 16.845 -3.860 1.00 0.00 O ATOM 543 OE2 GLU A 481 -2.815 14.994 -4.291 1.00 0.00 O ATOM 0 H GLU A 481 -4.711 12.428 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 481 -6.630 14.367 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -5.582 13.737 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -6.337 15.232 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -4.459 15.674 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -3.713 14.154 -2.095 1.00 0.00 H new ATOM 550 N LYS A 482 -8.816 13.453 -1.584 1.00 0.00 N ATOM 551 CA LYS A 482 -10.133 12.958 -1.966 1.00 0.00 C ATOM 552 C LYS A 482 -10.560 13.530 -3.314 1.00 0.00 C ATOM 553 O LYS A 482 -10.038 14.543 -3.779 1.00 0.00 O ATOM 554 CB LYS A 482 -11.167 13.319 -0.896 1.00 0.00 C ATOM 555 CG LYS A 482 -11.307 12.270 0.193 1.00 0.00 C ATOM 556 CD LYS A 482 -12.256 12.727 1.288 1.00 0.00 C ATOM 557 CE LYS A 482 -12.576 11.598 2.256 1.00 0.00 C ATOM 558 NZ LYS A 482 -13.677 10.731 1.752 1.00 0.00 N ATOM 0 H LYS A 482 -8.823 14.108 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 482 -10.074 11.873 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -10.889 14.269 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -12.136 13.466 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -11.672 11.340 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -10.328 12.058 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -11.811 13.559 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -13.179 13.096 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -11.683 10.994 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -12.857 12.017 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -13.865 9.974 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -14.536 11.302 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -13.399 10.311 0.842 1.00 0.00 H new ATOM 572 N PRO A 483 -11.533 12.867 -3.957 1.00 0.00 N ATOM 573 CA PRO A 483 -12.052 13.293 -5.260 1.00 0.00 C ATOM 574 C PRO A 483 -12.858 14.585 -5.169 1.00 0.00 C ATOM 575 O PRO A 483 -13.349 14.947 -4.100 1.00 0.00 O ATOM 576 CB PRO A 483 -12.954 12.129 -5.680 1.00 0.00 C ATOM 577 CG PRO A 483 -13.364 11.487 -4.400 1.00 0.00 C ATOM 578 CD PRO A 483 -12.201 11.652 -3.462 1.00 0.00 C ATOM 0 HA PRO A 483 -11.251 13.507 -5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -13.819 12.481 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -12.422 11.427 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -14.260 11.958 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -13.598 10.433 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -12.531 11.767 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -11.537 10.788 -3.490 1.00 0.00 H new ATOM 586 N SER A 484 -12.990 15.275 -6.297 1.00 0.00 N ATOM 587 CA SER A 484 -13.733 16.529 -6.344 1.00 0.00 C ATOM 588 C SER A 484 -15.130 16.311 -6.917 1.00 0.00 C ATOM 589 O SER A 484 -15.326 16.333 -8.131 1.00 0.00 O ATOM 590 CB SER A 484 -12.980 17.562 -7.184 1.00 0.00 C ATOM 591 OG SER A 484 -13.245 18.878 -6.732 1.00 0.00 O ATOM 0 H SER A 484 -12.592 14.987 -7.191 1.00 0.00 H new ATOM 0 HA SER A 484 -13.831 16.903 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 484 -11.909 17.366 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 484 -13.272 17.468 -8.230 1.00 0.00 H new ATOM 0 HG SER A 484 -12.751 19.519 -7.284 1.00 0.00 H new ATOM 597 N GLY A 485 -16.100 16.100 -6.031 1.00 0.00 N ATOM 598 CA GLY A 485 -17.467 15.881 -6.467 1.00 0.00 C ATOM 599 C GLY A 485 -17.685 14.483 -7.011 1.00 0.00 C ATOM 600 O GLY A 485 -16.806 13.623 -6.943 1.00 0.00 O ATOM 0 H GLY A 485 -15.963 16.077 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -18.144 16.051 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -17.721 16.611 -7.236 1.00 0.00 H new ATOM 604 N PRO A 486 -18.882 14.240 -7.565 1.00 0.00 N ATOM 605 CA PRO A 486 -19.241 12.937 -8.133 1.00 0.00 C ATOM 606 C PRO A 486 -18.476 12.633 -9.416 1.00 0.00 C ATOM 607 O PRO A 486 -17.932 11.541 -9.582 1.00 0.00 O ATOM 608 CB PRO A 486 -20.738 13.077 -8.423 1.00 0.00 C ATOM 609 CG PRO A 486 -20.954 14.540 -8.600 1.00 0.00 C ATOM 610 CD PRO A 486 -19.977 15.218 -7.680 1.00 0.00 C ATOM 0 HA PRO A 486 -18.998 12.117 -7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -21.021 12.524 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -21.339 12.684 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -20.785 14.837 -9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -21.979 14.816 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -19.628 16.165 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -20.424 15.437 -6.710 1.00 0.00 H new ATOM 618 N SER A 487 -18.438 13.605 -10.322 1.00 0.00 N ATOM 619 CA SER A 487 -17.742 13.440 -11.592 1.00 0.00 C ATOM 620 C SER A 487 -16.331 14.013 -11.517 1.00 0.00 C ATOM 621 O SER A 487 -16.001 14.762 -10.597 1.00 0.00 O ATOM 622 CB SER A 487 -18.522 14.123 -12.718 1.00 0.00 C ATOM 623 OG SER A 487 -17.811 14.061 -13.942 1.00 0.00 O ATOM 0 H SER A 487 -18.881 14.515 -10.200 1.00 0.00 H new ATOM 0 HA SER A 487 -17.672 12.373 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 487 -19.494 13.644 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 487 -18.709 15.164 -12.455 1.00 0.00 H new ATOM 0 HG SER A 487 -18.331 14.503 -14.645 1.00 0.00 H new ATOM 629 N SER A 488 -15.500 13.656 -12.491 1.00 0.00 N ATOM 630 CA SER A 488 -14.122 14.130 -12.534 1.00 0.00 C ATOM 631 C SER A 488 -14.070 15.653 -12.454 1.00 0.00 C ATOM 632 O SER A 488 -15.061 16.334 -12.712 1.00 0.00 O ATOM 633 CB SER A 488 -13.435 13.652 -13.815 1.00 0.00 C ATOM 634 OG SER A 488 -13.407 12.236 -13.880 1.00 0.00 O ATOM 0 H SER A 488 -15.758 13.039 -13.262 1.00 0.00 H new ATOM 0 HA SER A 488 -13.595 13.719 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 488 -13.961 14.049 -14.683 1.00 0.00 H new ATOM 0 HB3 SER A 488 -12.418 14.041 -13.853 1.00 0.00 H new ATOM 0 HG SER A 488 -12.965 11.955 -14.708 1.00 0.00 H new ATOM 640 N GLY A 489 -12.903 16.180 -12.093 1.00 0.00 N ATOM 641 CA GLY A 489 -12.742 17.619 -11.985 1.00 0.00 C ATOM 642 C GLY A 489 -11.351 18.077 -12.376 1.00 0.00 C ATOM 643 O GLY A 489 -11.228 18.991 -13.190 1.00 0.00 O ATOM 0 H GLY A 489 -12.068 15.637 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -13.476 18.113 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -12.949 17.929 -10.961 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.297 1.402 5.108 1.00 0.00 ZN