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 Single : A 445 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 35:sc= 0.293 USER MOD Single : A 451 THR OG1 : 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 X(o=0,f=-0.09) 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 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 CYS SG : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ -137:sc= -0.104 (180deg=-1.25) USER MOD Single : A 479 SER OG : rot -43:sc= 1.17 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 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 37.588 18.615 20.516 1.00 0.00 N ATOM 2 CA GLY A 444 37.930 19.006 19.161 1.00 0.00 C ATOM 3 C GLY A 444 37.233 20.282 18.732 1.00 0.00 C ATOM 4 O GLY A 444 36.666 20.996 19.559 1.00 0.00 O ATOM 0 HA2 GLY A 444 39.009 19.143 19.087 1.00 0.00 H new ATOM 0 HA3 GLY A 444 37.663 18.202 18.476 1.00 0.00 H new ATOM 8 N SER A 445 37.275 20.570 17.435 1.00 0.00 N ATOM 9 CA SER A 445 36.647 21.772 16.898 1.00 0.00 C ATOM 10 C SER A 445 35.200 21.496 16.499 1.00 0.00 C ATOM 11 O SER A 445 34.299 22.273 16.815 1.00 0.00 O ATOM 12 CB SER A 445 37.432 22.287 15.691 1.00 0.00 C ATOM 13 OG SER A 445 38.774 22.576 16.041 1.00 0.00 O ATOM 0 H SER A 445 37.737 19.988 16.737 1.00 0.00 H new ATOM 0 HA SER A 445 36.652 22.534 17.677 1.00 0.00 H new ATOM 0 HB2 SER A 445 37.413 21.542 14.896 1.00 0.00 H new ATOM 0 HB3 SER A 445 36.954 23.184 15.298 1.00 0.00 H new ATOM 0 HG SER A 445 39.255 22.902 15.252 1.00 0.00 H new ATOM 19 N SER A 446 34.987 20.385 15.803 1.00 0.00 N ATOM 20 CA SER A 446 33.651 20.007 15.356 1.00 0.00 C ATOM 21 C SER A 446 33.059 18.932 16.262 1.00 0.00 C ATOM 22 O SER A 446 33.785 18.212 16.946 1.00 0.00 O ATOM 23 CB SER A 446 33.696 19.505 13.911 1.00 0.00 C ATOM 24 OG SER A 446 34.800 18.640 13.706 1.00 0.00 O ATOM 0 H SER A 446 35.722 19.730 15.536 1.00 0.00 H new ATOM 0 HA SER A 446 33.015 20.891 15.406 1.00 0.00 H new ATOM 0 HB2 SER A 446 32.770 18.980 13.676 1.00 0.00 H new ATOM 0 HB3 SER A 446 33.763 20.353 13.230 1.00 0.00 H new ATOM 0 HG SER A 446 34.806 18.332 12.776 1.00 0.00 H new ATOM 30 N GLY A 447 31.733 18.829 16.260 1.00 0.00 N ATOM 31 CA GLY A 447 31.065 17.840 17.085 1.00 0.00 C ATOM 32 C GLY A 447 30.569 16.654 16.281 1.00 0.00 C ATOM 33 O GLY A 447 31.341 15.753 15.952 1.00 0.00 O ATOM 0 H GLY A 447 31.110 19.413 15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 447 31.752 17.491 17.856 1.00 0.00 H new ATOM 0 HA3 GLY A 447 30.223 18.307 17.596 1.00 0.00 H new ATOM 37 N SER A 448 29.278 16.652 15.965 1.00 0.00 N ATOM 38 CA SER A 448 28.679 15.565 15.200 1.00 0.00 C ATOM 39 C SER A 448 28.088 16.083 13.892 1.00 0.00 C ATOM 40 O SER A 448 27.540 17.183 13.839 1.00 0.00 O ATOM 41 CB SER A 448 27.593 14.871 16.024 1.00 0.00 C ATOM 42 OG SER A 448 28.044 14.606 17.341 1.00 0.00 O ATOM 0 H SER A 448 28.626 17.392 16.227 1.00 0.00 H new ATOM 0 HA SER A 448 29.462 14.844 14.965 1.00 0.00 H new ATOM 0 HB2 SER A 448 26.703 15.499 16.060 1.00 0.00 H new ATOM 0 HB3 SER A 448 27.305 13.938 15.540 1.00 0.00 H new ATOM 0 HG SER A 448 27.331 14.164 17.848 1.00 0.00 H new ATOM 48 N SER A 449 28.205 15.280 12.839 1.00 0.00 N ATOM 49 CA SER A 449 27.687 15.658 11.529 1.00 0.00 C ATOM 50 C SER A 449 27.784 14.492 10.550 1.00 0.00 C ATOM 51 O SER A 449 28.867 13.967 10.298 1.00 0.00 O ATOM 52 CB SER A 449 28.453 16.863 10.982 1.00 0.00 C ATOM 53 OG SER A 449 29.844 16.601 10.927 1.00 0.00 O ATOM 0 H SER A 449 28.654 14.364 12.867 1.00 0.00 H new ATOM 0 HA SER A 449 26.637 15.927 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 449 28.086 17.109 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 449 28.268 17.732 11.613 1.00 0.00 H new ATOM 0 HG SER A 449 29.991 15.658 10.706 1.00 0.00 H new ATOM 59 N GLY A 450 26.641 14.092 10.000 1.00 0.00 N ATOM 60 CA GLY A 450 26.618 12.991 9.055 1.00 0.00 C ATOM 61 C GLY A 450 25.375 12.134 9.194 1.00 0.00 C ATOM 62 O GLY A 450 25.413 11.066 9.807 1.00 0.00 O ATOM 0 H GLY A 450 25.731 14.511 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 450 26.672 13.386 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 450 27.502 12.371 9.203 1.00 0.00 H new ATOM 66 N THR A 451 24.269 12.601 8.624 1.00 0.00 N ATOM 67 CA THR A 451 23.009 11.872 8.689 1.00 0.00 C ATOM 68 C THR A 451 22.017 12.395 7.657 1.00 0.00 C ATOM 69 O THR A 451 21.741 13.593 7.598 1.00 0.00 O ATOM 70 CB THR A 451 22.375 11.970 10.090 1.00 0.00 C ATOM 71 OG1 THR A 451 21.129 11.264 10.114 1.00 0.00 O ATOM 72 CG2 THR A 451 22.148 13.423 10.481 1.00 0.00 C ATOM 0 H THR A 451 24.220 13.482 8.112 1.00 0.00 H new ATOM 0 HA THR A 451 23.236 10.828 8.473 1.00 0.00 H new ATOM 0 HB THR A 451 23.061 11.520 10.808 1.00 0.00 H new ATOM 0 HG1 THR A 451 20.733 11.329 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 451 21.700 13.467 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 451 23.102 13.951 10.490 1.00 0.00 H new ATOM 0 HG23 THR A 451 21.480 13.894 9.760 1.00 0.00 H new ATOM 80 N GLY A 452 21.481 11.489 6.845 1.00 0.00 N ATOM 81 CA GLY A 452 20.524 11.879 5.826 1.00 0.00 C ATOM 82 C GLY A 452 19.909 10.686 5.121 1.00 0.00 C ATOM 83 O GLY A 452 19.681 10.721 3.913 1.00 0.00 O ATOM 0 H GLY A 452 21.692 10.492 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 452 19.733 12.474 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 452 21.018 12.516 5.092 1.00 0.00 H new ATOM 87 N GLU A 453 19.641 9.627 5.878 1.00 0.00 N ATOM 88 CA GLU A 453 19.051 8.417 5.317 1.00 0.00 C ATOM 89 C GLU A 453 17.536 8.418 5.497 1.00 0.00 C ATOM 90 O GLU A 453 17.024 8.790 6.552 1.00 0.00 O ATOM 91 CB GLU A 453 19.654 7.175 5.978 1.00 0.00 C ATOM 92 CG GLU A 453 21.170 7.205 6.061 1.00 0.00 C ATOM 93 CD GLU A 453 21.673 7.913 7.305 1.00 0.00 C ATOM 94 OE1 GLU A 453 20.833 8.384 8.100 1.00 0.00 O ATOM 95 OE2 GLU A 453 22.906 7.995 7.482 1.00 0.00 O ATOM 0 H GLU A 453 19.823 9.582 6.881 1.00 0.00 H new ATOM 0 HA GLU A 453 19.273 8.395 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 453 19.245 7.074 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 453 19.347 6.291 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 453 21.551 6.184 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 453 21.569 7.704 5.178 1.00 0.00 H new ATOM 102 N LYS A 454 16.823 7.997 4.457 1.00 0.00 N ATOM 103 CA LYS A 454 15.366 7.948 4.498 1.00 0.00 C ATOM 104 C LYS A 454 14.883 6.623 5.078 1.00 0.00 C ATOM 105 O LYS A 454 14.977 5.579 4.432 1.00 0.00 O ATOM 106 CB LYS A 454 14.790 8.142 3.093 1.00 0.00 C ATOM 107 CG LYS A 454 13.274 8.058 3.041 1.00 0.00 C ATOM 108 CD LYS A 454 12.627 9.121 3.913 1.00 0.00 C ATOM 109 CE LYS A 454 11.154 9.298 3.577 1.00 0.00 C ATOM 110 NZ LYS A 454 10.325 8.182 4.111 1.00 0.00 N ATOM 0 H LYS A 454 17.231 7.685 3.576 1.00 0.00 H new ATOM 0 HA LYS A 454 15.017 8.755 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 454 15.105 9.113 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.211 7.386 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 454 12.937 8.176 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 454 12.952 7.070 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 454 12.731 8.845 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 454 13.148 10.069 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.799 10.243 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 454 11.033 9.355 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.328 8.340 3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.647 7.283 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 10.420 8.143 5.146 1.00 0.00 H new ATOM 124 N LEU A 455 14.365 6.672 6.301 1.00 0.00 N ATOM 125 CA LEU A 455 13.865 5.475 6.969 1.00 0.00 C ATOM 126 C LEU A 455 12.489 5.089 6.436 1.00 0.00 C ATOM 127 O LEU A 455 11.477 5.677 6.818 1.00 0.00 O ATOM 128 CB LEU A 455 13.794 5.702 8.480 1.00 0.00 C ATOM 129 CG LEU A 455 15.033 6.327 9.123 1.00 0.00 C ATOM 130 CD1 LEU A 455 14.683 6.941 10.470 1.00 0.00 C ATOM 131 CD2 LEU A 455 16.134 5.288 9.279 1.00 0.00 C ATOM 0 H LEU A 455 14.280 7.528 6.850 1.00 0.00 H new ATOM 0 HA LEU A 455 14.557 4.658 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 455 12.937 6.342 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.603 4.744 8.963 1.00 0.00 H new ATOM 0 HG LEU A 455 15.398 7.119 8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 455 15.577 7.381 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 455 13.928 7.715 10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.293 6.168 11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 455 17.008 5.750 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 455 15.779 4.474 9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 455 16.404 4.894 8.299 1.00 0.00 H new ATOM 143 N TYR A 456 12.459 4.096 5.554 1.00 0.00 N ATOM 144 CA TYR A 456 11.207 3.631 4.969 1.00 0.00 C ATOM 145 C TYR A 456 10.305 3.012 6.033 1.00 0.00 C ATOM 146 O TYR A 456 10.671 2.031 6.678 1.00 0.00 O ATOM 147 CB TYR A 456 11.484 2.611 3.863 1.00 0.00 C ATOM 148 CG TYR A 456 12.571 3.040 2.903 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.561 4.307 2.333 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.607 2.177 2.566 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.552 4.702 1.455 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.602 2.565 1.690 1.00 0.00 C ATOM 153 CZ TYR A 456 14.570 3.828 1.137 1.00 0.00 C ATOM 154 OH TYR A 456 15.559 4.217 0.263 1.00 0.00 O ATOM 0 H TYR A 456 13.287 3.598 5.229 1.00 0.00 H new ATOM 0 HA TYR A 456 10.694 4.492 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.766 1.662 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.565 2.435 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.766 4.994 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.635 1.187 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.529 5.690 1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.401 1.883 1.439 1.00 0.00 H new ATOM 0 HH TYR A 456 16.200 3.485 0.147 1.00 0.00 H new ATOM 164 N ASN A 457 9.123 3.594 6.208 1.00 0.00 N ATOM 165 CA ASN A 457 8.167 3.100 7.192 1.00 0.00 C ATOM 166 C ASN A 457 6.809 3.773 7.016 1.00 0.00 C ATOM 167 O ASN A 457 6.681 4.988 7.166 1.00 0.00 O ATOM 168 CB ASN A 457 8.690 3.346 8.609 1.00 0.00 C ATOM 169 CG ASN A 457 7.852 2.649 9.664 1.00 0.00 C ATOM 170 OD1 ASN A 457 7.776 1.421 9.701 1.00 0.00 O ATOM 171 ND2 ASN A 457 7.217 3.432 10.528 1.00 0.00 N ATOM 0 H ASN A 457 8.805 4.408 5.682 1.00 0.00 H new ATOM 0 HA ASN A 457 8.045 2.028 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.720 2.997 8.679 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.702 4.418 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 457 6.638 3.020 11.260 1.00 0.00 H new ATOM 0 HD22 ASN A 457 7.308 4.446 10.460 1.00 0.00 H new ATOM 178 N CYS A 458 5.796 2.973 6.698 1.00 0.00 N ATOM 179 CA CYS A 458 4.447 3.489 6.501 1.00 0.00 C ATOM 180 C CYS A 458 3.887 4.058 7.802 1.00 0.00 C ATOM 181 O CYS A 458 4.033 3.460 8.868 1.00 0.00 O ATOM 182 CB CYS A 458 3.527 2.385 5.977 1.00 0.00 C ATOM 183 SG CYS A 458 1.901 2.978 5.409 1.00 0.00 S ATOM 0 H CYS A 458 5.884 1.965 6.571 1.00 0.00 H new ATOM 0 HA CYS A 458 4.496 4.291 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.024 1.874 5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.377 1.647 6.765 1.00 0.00 H new ATOM 188 N LYS A 459 3.244 5.217 7.706 1.00 0.00 N ATOM 189 CA LYS A 459 2.660 5.868 8.873 1.00 0.00 C ATOM 190 C LYS A 459 1.137 5.872 8.788 1.00 0.00 C ATOM 191 O LYS A 459 0.450 5.884 9.809 1.00 0.00 O ATOM 192 CB LYS A 459 3.179 7.302 8.996 1.00 0.00 C ATOM 193 CG LYS A 459 4.693 7.397 9.069 1.00 0.00 C ATOM 194 CD LYS A 459 5.146 8.786 9.487 1.00 0.00 C ATOM 195 CE LYS A 459 6.662 8.885 9.544 1.00 0.00 C ATOM 196 NZ LYS A 459 7.115 10.251 9.925 1.00 0.00 N ATOM 0 H LYS A 459 3.114 5.725 6.831 1.00 0.00 H new ATOM 0 HA LYS A 459 2.955 5.305 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 459 2.828 7.881 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.751 7.759 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.071 6.661 9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.121 7.151 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.759 9.523 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 459 4.728 9.027 10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 459 7.046 8.161 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.080 8.622 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 8.154 10.277 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 6.770 10.939 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.738 10.493 10.863 1.00 0.00 H new ATOM 210 N GLU A 460 0.617 5.861 7.565 1.00 0.00 N ATOM 211 CA GLU A 460 -0.825 5.863 7.349 1.00 0.00 C ATOM 212 C GLU A 460 -1.490 4.717 8.105 1.00 0.00 C ATOM 213 O GLU A 460 -2.458 4.921 8.839 1.00 0.00 O ATOM 214 CB GLU A 460 -1.139 5.754 5.855 1.00 0.00 C ATOM 215 CG GLU A 460 -0.931 7.051 5.093 1.00 0.00 C ATOM 216 CD GLU A 460 -1.925 8.126 5.488 1.00 0.00 C ATOM 217 OE1 GLU A 460 -3.139 7.833 5.505 1.00 0.00 O ATOM 218 OE2 GLU A 460 -1.490 9.259 5.780 1.00 0.00 O ATOM 0 H GLU A 460 1.172 5.851 6.709 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.222 6.804 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.510 4.980 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.173 5.432 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.081 7.414 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.017 6.857 4.024 1.00 0.00 H new ATOM 225 N CYS A 461 -0.965 3.510 7.920 1.00 0.00 N ATOM 226 CA CYS A 461 -1.507 2.330 8.582 1.00 0.00 C ATOM 227 C CYS A 461 -0.561 1.836 9.674 1.00 0.00 C ATOM 228 O CYS A 461 -0.987 1.202 10.638 1.00 0.00 O ATOM 229 CB CYS A 461 -1.754 1.216 7.563 1.00 0.00 C ATOM 230 SG CYS A 461 -0.232 0.480 6.883 1.00 0.00 S ATOM 0 H CYS A 461 -0.164 3.324 7.316 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.455 2.606 9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.345 0.431 8.035 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.350 1.615 6.742 1.00 0.00 H new ATOM 235 N GLY A 462 0.725 2.133 9.513 1.00 0.00 N ATOM 236 CA GLY A 462 1.711 1.712 10.491 1.00 0.00 C ATOM 237 C GLY A 462 2.124 0.265 10.312 1.00 0.00 C ATOM 238 O GLY A 462 1.837 -0.580 11.161 1.00 0.00 O ATOM 0 H GLY A 462 1.101 2.657 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.591 2.350 10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.306 1.850 11.493 1.00 0.00 H new ATOM 242 N LYS A 463 2.799 -0.024 9.205 1.00 0.00 N ATOM 243 CA LYS A 463 3.252 -1.379 8.916 1.00 0.00 C ATOM 244 C LYS A 463 4.615 -1.362 8.232 1.00 0.00 C ATOM 245 O LYS A 463 4.814 -0.660 7.240 1.00 0.00 O ATOM 246 CB LYS A 463 2.234 -2.102 8.030 1.00 0.00 C ATOM 247 CG LYS A 463 0.897 -2.341 8.711 1.00 0.00 C ATOM 248 CD LYS A 463 -0.114 -2.951 7.755 1.00 0.00 C ATOM 249 CE LYS A 463 0.083 -4.453 7.620 1.00 0.00 C ATOM 250 NZ LYS A 463 -0.563 -5.200 8.734 1.00 0.00 N ATOM 0 H LYS A 463 3.045 0.663 8.492 1.00 0.00 H new ATOM 0 HA LYS A 463 3.345 -1.913 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.072 -1.517 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.651 -3.060 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.036 -3.003 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.511 -1.398 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -1.123 -2.746 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -0.020 -2.481 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -0.331 -4.789 6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.149 -4.679 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -0.406 -6.220 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -0.151 -4.898 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -1.585 -5.005 8.736 1.00 0.00 H new ATOM 264 N SER A 464 5.550 -2.141 8.767 1.00 0.00 N ATOM 265 CA SER A 464 6.896 -2.214 8.208 1.00 0.00 C ATOM 266 C SER A 464 7.063 -3.468 7.356 1.00 0.00 C ATOM 267 O SER A 464 7.089 -4.585 7.873 1.00 0.00 O ATOM 268 CB SER A 464 7.937 -2.202 9.329 1.00 0.00 C ATOM 269 OG SER A 464 9.180 -2.709 8.876 1.00 0.00 O ATOM 0 H SER A 464 5.401 -2.730 9.586 1.00 0.00 H new ATOM 0 HA SER A 464 7.047 -1.342 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.068 -1.184 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.580 -2.801 10.167 1.00 0.00 H new ATOM 0 HG SER A 464 9.829 -2.689 9.610 1.00 0.00 H new ATOM 275 N PHE A 465 7.177 -3.274 6.046 1.00 0.00 N ATOM 276 CA PHE A 465 7.341 -4.388 5.120 1.00 0.00 C ATOM 277 C PHE A 465 8.780 -4.895 5.128 1.00 0.00 C ATOM 278 O PHE A 465 9.707 -4.158 5.465 1.00 0.00 O ATOM 279 CB PHE A 465 6.945 -3.965 3.704 1.00 0.00 C ATOM 280 CG PHE A 465 5.460 -3.869 3.500 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.703 -2.969 4.233 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.821 -4.680 2.575 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.336 -2.879 4.047 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.455 -4.593 2.385 1.00 0.00 C ATOM 285 CZ PHE A 465 2.711 -3.693 3.123 1.00 0.00 C ATOM 0 H PHE A 465 7.159 -2.356 5.602 1.00 0.00 H new ATOM 0 HA PHE A 465 6.688 -5.197 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.397 -2.998 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.356 -4.680 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.186 -2.331 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.397 -5.387 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.757 -2.173 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 465 2.969 -5.229 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.643 -3.626 2.978 1.00 0.00 H new ATOM 295 N SER A 466 8.959 -6.157 4.754 1.00 0.00 N ATOM 296 CA SER A 466 10.284 -6.765 4.721 1.00 0.00 C ATOM 297 C SER A 466 11.169 -6.083 3.682 1.00 0.00 C ATOM 298 O SER A 466 12.227 -5.544 4.009 1.00 0.00 O ATOM 299 CB SER A 466 10.176 -8.260 4.415 1.00 0.00 C ATOM 300 OG SER A 466 9.298 -8.904 5.321 1.00 0.00 O ATOM 0 H SER A 466 8.203 -6.779 4.469 1.00 0.00 H new ATOM 0 HA SER A 466 10.740 -6.635 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 466 9.818 -8.401 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.163 -8.718 4.473 1.00 0.00 H new ATOM 0 HG SER A 466 9.245 -9.858 5.103 1.00 0.00 H new ATOM 306 N ARG A 467 10.728 -6.112 2.429 1.00 0.00 N ATOM 307 CA ARG A 467 11.480 -5.499 1.340 1.00 0.00 C ATOM 308 C ARG A 467 11.326 -3.981 1.361 1.00 0.00 C ATOM 309 O ARG A 467 10.211 -3.460 1.328 1.00 0.00 O ATOM 310 CB ARG A 467 11.010 -6.052 -0.007 1.00 0.00 C ATOM 311 CG ARG A 467 11.223 -7.549 -0.158 1.00 0.00 C ATOM 312 CD ARG A 467 12.686 -7.882 -0.402 1.00 0.00 C ATOM 313 NE ARG A 467 13.011 -9.248 -0.002 1.00 0.00 N ATOM 314 CZ ARG A 467 14.249 -9.727 0.042 1.00 0.00 C ATOM 315 NH1 ARG A 467 15.274 -8.953 -0.288 1.00 0.00 N ATOM 316 NH2 ARG A 467 14.464 -10.981 0.417 1.00 0.00 N ATOM 0 H ARG A 467 9.854 -6.553 2.142 1.00 0.00 H new ATOM 0 HA ARG A 467 12.534 -5.742 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.950 -5.830 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.540 -5.536 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 467 10.878 -8.059 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.621 -7.921 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.916 -7.749 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 467 13.314 -7.183 0.151 1.00 0.00 H new ATOM 0 HE ARG A 467 12.245 -9.869 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 467 15.112 -7.988 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 467 16.224 -9.323 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 467 13.678 -11.579 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 467 15.415 -11.347 0.450 1.00 0.00 H new ATOM 330 N ALA A 468 12.452 -3.278 1.416 1.00 0.00 N ATOM 331 CA ALA A 468 12.442 -1.820 1.440 1.00 0.00 C ATOM 332 C ALA A 468 11.787 -1.255 0.184 1.00 0.00 C ATOM 333 O ALA A 468 10.842 -0.469 0.248 1.00 0.00 O ATOM 334 CB ALA A 468 13.859 -1.286 1.585 1.00 0.00 C ATOM 0 H ALA A 468 13.383 -3.694 1.445 1.00 0.00 H new ATOM 0 HA ALA A 468 11.854 -1.499 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.837 -0.196 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.293 -1.654 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.463 -1.624 0.743 1.00 0.00 H new ATOM 340 N PRO A 469 12.300 -1.663 -0.986 1.00 0.00 N ATOM 341 CA PRO A 469 11.780 -1.209 -2.279 1.00 0.00 C ATOM 342 C PRO A 469 10.260 -1.305 -2.359 1.00 0.00 C ATOM 343 O PRO A 469 9.597 -0.397 -2.862 1.00 0.00 O ATOM 344 CB PRO A 469 12.429 -2.169 -3.280 1.00 0.00 C ATOM 345 CG PRO A 469 13.680 -2.623 -2.611 1.00 0.00 C ATOM 346 CD PRO A 469 13.427 -2.599 -1.137 1.00 0.00 C ATOM 0 HA PRO A 469 12.009 -0.159 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.773 -3.010 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.644 -1.670 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.949 -3.627 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.513 -1.969 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.177 -3.590 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.305 -2.260 -0.587 1.00 0.00 H new ATOM 354 N CYS A 470 9.715 -2.408 -1.859 1.00 0.00 N ATOM 355 CA CYS A 470 8.272 -2.622 -1.874 1.00 0.00 C ATOM 356 C CYS A 470 7.568 -1.644 -0.940 1.00 0.00 C ATOM 357 O CYS A 470 6.530 -1.078 -1.284 1.00 0.00 O ATOM 358 CB CYS A 470 7.945 -4.060 -1.468 1.00 0.00 C ATOM 359 SG CYS A 470 7.976 -5.239 -2.839 1.00 0.00 S ATOM 0 H CYS A 470 10.250 -3.168 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 470 7.914 -2.448 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.658 -4.383 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.957 -4.081 -1.007 1.00 0.00 H new ATOM 0 HG CYS A 470 7.689 -6.427 -2.396 1.00 0.00 H new ATOM 365 N LEU A 471 8.137 -1.452 0.245 1.00 0.00 N ATOM 366 CA LEU A 471 7.563 -0.543 1.231 1.00 0.00 C ATOM 367 C LEU A 471 7.372 0.850 0.642 1.00 0.00 C ATOM 368 O LEU A 471 6.325 1.474 0.820 1.00 0.00 O ATOM 369 CB LEU A 471 8.461 -0.468 2.468 1.00 0.00 C ATOM 370 CG LEU A 471 7.919 0.350 3.641 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.519 -0.113 4.013 1.00 0.00 C ATOM 372 CD2 LEU A 471 8.853 0.246 4.839 1.00 0.00 C ATOM 0 H LEU A 471 8.995 -1.914 0.546 1.00 0.00 H new ATOM 0 HA LEU A 471 6.587 -0.931 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.652 -1.483 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.421 -0.047 2.170 1.00 0.00 H new ATOM 0 HG LEU A 471 7.865 1.395 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.150 0.480 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.855 0.013 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.547 -1.164 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.452 0.834 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 471 8.939 -0.797 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 471 9.838 0.626 4.567 1.00 0.00 H new ATOM 384 N LEU A 472 8.390 1.333 -0.063 1.00 0.00 N ATOM 385 CA LEU A 472 8.334 2.653 -0.682 1.00 0.00 C ATOM 386 C LEU A 472 7.134 2.766 -1.616 1.00 0.00 C ATOM 387 O LEU A 472 6.615 3.858 -1.850 1.00 0.00 O ATOM 388 CB LEU A 472 9.625 2.931 -1.455 1.00 0.00 C ATOM 389 CG LEU A 472 10.830 3.358 -0.617 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.123 2.883 -1.261 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.845 4.869 -0.436 1.00 0.00 C ATOM 0 H LEU A 472 9.264 0.830 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 472 8.225 3.394 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.894 2.032 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.424 3.711 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 472 10.747 2.895 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.970 3.196 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 472 12.113 1.796 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.214 3.316 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.710 5.155 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.904 5.352 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.933 5.184 0.070 1.00 0.00 H new ATOM 403 N LYS A 473 6.695 1.630 -2.147 1.00 0.00 N ATOM 404 CA LYS A 473 5.554 1.599 -3.054 1.00 0.00 C ATOM 405 C LYS A 473 4.245 1.498 -2.277 1.00 0.00 C ATOM 406 O LYS A 473 3.204 1.976 -2.730 1.00 0.00 O ATOM 407 CB LYS A 473 5.677 0.420 -4.022 1.00 0.00 C ATOM 408 CG LYS A 473 6.762 0.602 -5.068 1.00 0.00 C ATOM 409 CD LYS A 473 7.108 -0.711 -5.748 1.00 0.00 C ATOM 410 CE LYS A 473 5.997 -1.164 -6.684 1.00 0.00 C ATOM 411 NZ LYS A 473 4.963 -1.963 -5.971 1.00 0.00 N ATOM 0 H LYS A 473 7.113 0.718 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 473 5.548 2.529 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.882 -0.487 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.721 0.272 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.431 1.323 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.655 1.016 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 473 8.035 -0.598 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 473 7.284 -1.477 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 473 5.530 -0.292 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 473 6.423 -1.759 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 4.698 -2.785 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 5.344 -2.290 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 4.123 -1.373 -5.803 1.00 0.00 H new ATOM 425 N HIS A 474 4.304 0.875 -1.104 1.00 0.00 N ATOM 426 CA HIS A 474 3.123 0.714 -0.264 1.00 0.00 C ATOM 427 C HIS A 474 2.645 2.063 0.266 1.00 0.00 C ATOM 428 O HIS A 474 1.444 2.305 0.379 1.00 0.00 O ATOM 429 CB HIS A 474 3.426 -0.227 0.903 1.00 0.00 C ATOM 430 CG HIS A 474 2.316 -0.315 1.905 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.207 -1.116 1.731 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.150 0.302 3.098 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.406 -0.986 2.773 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.955 -0.132 3.618 1.00 0.00 N ATOM 0 H HIS A 474 5.157 0.474 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 474 2.330 0.281 -0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.631 -1.223 0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.332 0.111 1.406 1.00 0.00 H new ATOM 0 HD1 HIS A 474 1.033 -1.715 0.924 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.830 1.005 3.556 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.538 -1.492 2.911 1.00 0.00 H new ATOM 442 N GLU A 475 3.594 2.936 0.590 1.00 0.00 N ATOM 443 CA GLU A 475 3.268 4.259 1.109 1.00 0.00 C ATOM 444 C GLU A 475 2.482 5.068 0.082 1.00 0.00 C ATOM 445 O GLU A 475 1.699 5.949 0.437 1.00 0.00 O ATOM 446 CB GLU A 475 4.545 5.008 1.495 1.00 0.00 C ATOM 447 CG GLU A 475 5.310 4.359 2.636 1.00 0.00 C ATOM 448 CD GLU A 475 6.754 4.817 2.706 1.00 0.00 C ATOM 449 OE1 GLU A 475 7.146 5.671 1.884 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.491 4.322 3.584 1.00 0.00 O ATOM 0 H GLU A 475 4.593 2.751 0.502 1.00 0.00 H new ATOM 0 HA GLU A 475 2.648 4.130 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.196 5.073 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.286 6.029 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.814 4.590 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.282 3.276 2.518 1.00 0.00 H new ATOM 457 N ARG A 476 2.697 4.763 -1.194 1.00 0.00 N ATOM 458 CA ARG A 476 2.011 5.463 -2.273 1.00 0.00 C ATOM 459 C ARG A 476 0.592 4.931 -2.450 1.00 0.00 C ATOM 460 O ARG A 476 -0.320 5.675 -2.814 1.00 0.00 O ATOM 461 CB ARG A 476 2.789 5.314 -3.582 1.00 0.00 C ATOM 462 CG ARG A 476 4.233 5.778 -3.488 1.00 0.00 C ATOM 463 CD ARG A 476 4.322 7.274 -3.230 1.00 0.00 C ATOM 464 NE ARG A 476 3.649 8.050 -4.268 1.00 0.00 N ATOM 465 CZ ARG A 476 3.425 9.356 -4.180 1.00 0.00 C ATOM 466 NH1 ARG A 476 3.819 10.029 -3.108 1.00 0.00 N ATOM 467 NH2 ARG A 476 2.806 9.992 -5.166 1.00 0.00 N ATOM 0 H ARG A 476 3.341 4.036 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 476 1.955 6.519 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.772 4.268 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.283 5.883 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.738 5.239 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.755 5.536 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.877 7.502 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 476 5.369 7.571 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 476 3.334 7.562 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 476 4.296 9.544 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 476 3.646 11.032 -3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 476 2.502 9.478 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 476 2.634 10.995 -5.097 1.00 0.00 H new ATOM 481 N LEU A 477 0.412 3.641 -2.189 1.00 0.00 N ATOM 482 CA LEU A 477 -0.896 3.009 -2.319 1.00 0.00 C ATOM 483 C LEU A 477 -1.955 3.785 -1.543 1.00 0.00 C ATOM 484 O LEU A 477 -3.064 4.004 -2.034 1.00 0.00 O ATOM 485 CB LEU A 477 -0.838 1.564 -1.820 1.00 0.00 C ATOM 486 CG LEU A 477 0.027 0.605 -2.638 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.026 -0.781 -2.013 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.462 0.543 -4.078 1.00 0.00 C ATOM 0 H LEU A 477 1.156 3.012 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 477 -1.170 3.012 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.469 1.570 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.854 1.170 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 477 1.051 0.980 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.647 -1.449 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.424 -0.724 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.994 -1.165 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.165 -0.144 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.494 0.193 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.408 1.536 -4.524 1.00 0.00 H new ATOM 500 N HIS A 478 -1.607 4.201 -0.330 1.00 0.00 N ATOM 501 CA HIS A 478 -2.527 4.956 0.514 1.00 0.00 C ATOM 502 C HIS A 478 -2.887 6.290 -0.134 1.00 0.00 C ATOM 503 O HIS A 478 -2.469 6.580 -1.254 1.00 0.00 O ATOM 504 CB HIS A 478 -1.909 5.195 1.892 1.00 0.00 C ATOM 505 CG HIS A 478 -1.757 3.946 2.705 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.793 3.383 3.420 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.683 3.150 2.912 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.362 2.296 4.034 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.084 2.132 3.741 1.00 0.00 N ATOM 0 H HIS A 478 -0.694 4.028 0.091 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.439 4.370 0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.930 5.659 1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.529 5.903 2.441 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.744 3.749 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.306 3.289 2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.953 1.651 4.667 1.00 0.00 H new ATOM 517 N SER A 479 -3.666 7.097 0.579 1.00 0.00 N ATOM 518 CA SER A 479 -4.086 8.398 0.072 1.00 0.00 C ATOM 519 C SER A 479 -4.769 8.258 -1.285 1.00 0.00 C ATOM 520 O SER A 479 -4.716 9.163 -2.116 1.00 0.00 O ATOM 521 CB SER A 479 -2.884 9.336 -0.044 1.00 0.00 C ATOM 522 OG SER A 479 -2.234 9.181 -1.294 1.00 0.00 O ATOM 0 H SER A 479 -4.019 6.873 1.509 1.00 0.00 H new ATOM 0 HA SER A 479 -4.801 8.821 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 479 -3.212 10.369 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 479 -2.180 9.132 0.763 1.00 0.00 H new ATOM 0 HG SER A 479 -2.161 8.228 -1.509 1.00 0.00 H new ATOM 528 N GLY A 480 -5.412 7.114 -1.501 1.00 0.00 N ATOM 529 CA GLY A 480 -6.096 6.874 -2.758 1.00 0.00 C ATOM 530 C GLY A 480 -7.523 6.400 -2.560 1.00 0.00 C ATOM 531 O GLY A 480 -7.813 5.663 -1.618 1.00 0.00 O ATOM 0 H GLY A 480 -5.471 6.350 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -6.099 7.791 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -5.545 6.129 -3.332 1.00 0.00 H new ATOM 535 N GLU A 481 -8.415 6.825 -3.450 1.00 0.00 N ATOM 536 CA GLU A 481 -9.819 6.440 -3.366 1.00 0.00 C ATOM 537 C GLU A 481 -10.358 6.048 -4.739 1.00 0.00 C ATOM 538 O GLU A 481 -10.133 6.743 -5.729 1.00 0.00 O ATOM 539 CB GLU A 481 -10.651 7.587 -2.788 1.00 0.00 C ATOM 540 CG GLU A 481 -11.989 7.143 -2.223 1.00 0.00 C ATOM 541 CD GLU A 481 -12.503 8.072 -1.140 1.00 0.00 C ATOM 542 OE1 GLU A 481 -11.958 8.035 -0.018 1.00 0.00 O ATOM 543 OE2 GLU A 481 -13.451 8.837 -1.417 1.00 0.00 O ATOM 0 H GLU A 481 -8.191 7.435 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.894 5.577 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -10.079 8.079 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -10.823 8.329 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -12.720 7.092 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -11.891 6.136 -1.817 1.00 0.00 H new ATOM 550 N LYS A 482 -11.071 4.927 -4.789 1.00 0.00 N ATOM 551 CA LYS A 482 -11.644 4.440 -6.038 1.00 0.00 C ATOM 552 C LYS A 482 -12.927 5.193 -6.378 1.00 0.00 C ATOM 553 O LYS A 482 -13.556 5.814 -5.521 1.00 0.00 O ATOM 554 CB LYS A 482 -11.931 2.940 -5.941 1.00 0.00 C ATOM 555 CG LYS A 482 -10.756 2.069 -6.352 1.00 0.00 C ATOM 556 CD LYS A 482 -9.597 2.201 -5.379 1.00 0.00 C ATOM 557 CE LYS A 482 -8.722 0.957 -5.382 1.00 0.00 C ATOM 558 NZ LYS A 482 -7.614 1.055 -4.392 1.00 0.00 N ATOM 0 H LYS A 482 -11.265 4.339 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 482 -10.919 4.614 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -12.211 2.698 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -12.788 2.701 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -11.074 1.028 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -10.426 2.350 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -8.996 3.071 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -9.982 2.374 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -9.333 0.083 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -8.306 0.808 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -7.041 0.188 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -7.016 1.874 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -8.010 1.172 -3.438 1.00 0.00 H new ATOM 572 N PRO A 483 -13.327 5.135 -7.657 1.00 0.00 N ATOM 573 CA PRO A 483 -14.540 5.803 -8.138 1.00 0.00 C ATOM 574 C PRO A 483 -15.811 5.149 -7.609 1.00 0.00 C ATOM 575 O PRO A 483 -16.398 4.290 -8.266 1.00 0.00 O ATOM 576 CB PRO A 483 -14.451 5.647 -9.658 1.00 0.00 C ATOM 577 CG PRO A 483 -13.613 4.433 -9.866 1.00 0.00 C ATOM 578 CD PRO A 483 -12.626 4.412 -8.732 1.00 0.00 C ATOM 0 HA PRO A 483 -14.594 6.839 -7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -15.439 5.527 -10.102 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -13.998 6.524 -10.120 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -14.226 3.531 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -13.102 4.472 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -12.377 3.393 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -11.691 4.903 -9.003 1.00 0.00 H new ATOM 586 N SER A 484 -16.232 5.562 -6.417 1.00 0.00 N ATOM 587 CA SER A 484 -17.432 5.013 -5.798 1.00 0.00 C ATOM 588 C SER A 484 -18.638 5.912 -6.059 1.00 0.00 C ATOM 589 O SER A 484 -19.152 6.559 -5.149 1.00 0.00 O ATOM 590 CB SER A 484 -17.224 4.846 -4.292 1.00 0.00 C ATOM 591 OG SER A 484 -16.086 4.045 -4.020 1.00 0.00 O ATOM 0 H SER A 484 -15.759 6.275 -5.861 1.00 0.00 H new ATOM 0 HA SER A 484 -17.625 4.036 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 484 -17.103 5.825 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 484 -18.109 4.389 -3.848 1.00 0.00 H new ATOM 0 HG SER A 484 -15.974 3.955 -3.051 1.00 0.00 H new ATOM 597 N GLY A 485 -19.083 5.945 -7.312 1.00 0.00 N ATOM 598 CA GLY A 485 -20.223 6.767 -7.672 1.00 0.00 C ATOM 599 C GLY A 485 -20.218 7.156 -9.137 1.00 0.00 C ATOM 600 O GLY A 485 -19.269 6.879 -9.872 1.00 0.00 O ATOM 0 H GLY A 485 -18.674 5.417 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -21.142 6.227 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -20.224 7.669 -7.060 1.00 0.00 H new ATOM 604 N PRO A 486 -21.299 7.813 -9.583 1.00 0.00 N ATOM 605 CA PRO A 486 -21.440 8.254 -10.974 1.00 0.00 C ATOM 606 C PRO A 486 -20.484 9.391 -11.321 1.00 0.00 C ATOM 607 O PRO A 486 -19.713 9.846 -10.477 1.00 0.00 O ATOM 608 CB PRO A 486 -22.891 8.734 -11.049 1.00 0.00 C ATOM 609 CG PRO A 486 -23.237 9.115 -9.651 1.00 0.00 C ATOM 610 CD PRO A 486 -22.467 8.177 -8.763 1.00 0.00 C ATOM 0 HA PRO A 486 -21.203 7.458 -11.680 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -22.993 9.581 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -23.549 7.948 -11.420 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -22.967 10.152 -9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -24.309 9.026 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -22.170 8.659 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -23.058 7.301 -8.495 1.00 0.00 H new ATOM 618 N SER A 487 -20.541 9.845 -12.569 1.00 0.00 N ATOM 619 CA SER A 487 -19.678 10.926 -13.029 1.00 0.00 C ATOM 620 C SER A 487 -19.852 12.167 -12.159 1.00 0.00 C ATOM 621 O SER A 487 -20.968 12.520 -11.778 1.00 0.00 O ATOM 622 CB SER A 487 -19.984 11.266 -14.489 1.00 0.00 C ATOM 623 OG SER A 487 -18.862 11.856 -15.121 1.00 0.00 O ATOM 0 H SER A 487 -21.176 9.481 -13.279 1.00 0.00 H new ATOM 0 HA SER A 487 -18.644 10.590 -12.951 1.00 0.00 H new ATOM 0 HB2 SER A 487 -20.272 10.361 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 487 -20.833 11.948 -14.537 1.00 0.00 H new ATOM 0 HG SER A 487 -19.083 12.062 -16.053 1.00 0.00 H new ATOM 629 N SER A 488 -18.740 12.826 -11.849 1.00 0.00 N ATOM 630 CA SER A 488 -18.768 14.026 -11.020 1.00 0.00 C ATOM 631 C SER A 488 -18.950 15.274 -11.878 1.00 0.00 C ATOM 632 O SER A 488 -18.397 15.375 -12.973 1.00 0.00 O ATOM 633 CB SER A 488 -17.479 14.138 -10.204 1.00 0.00 C ATOM 634 OG SER A 488 -17.549 13.350 -9.028 1.00 0.00 O ATOM 0 H SER A 488 -17.809 12.549 -12.159 1.00 0.00 H new ATOM 0 HA SER A 488 -19.615 13.948 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 488 -16.632 13.817 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 488 -17.303 15.180 -9.937 1.00 0.00 H new ATOM 0 HG SER A 488 -16.712 13.438 -8.525 1.00 0.00 H new ATOM 640 N GLY A 489 -19.730 16.224 -11.372 1.00 0.00 N ATOM 641 CA GLY A 489 -19.973 17.453 -12.104 1.00 0.00 C ATOM 642 C GLY A 489 -18.778 18.386 -12.083 1.00 0.00 C ATOM 643 O GLY A 489 -18.967 19.601 -12.051 1.00 0.00 O ATOM 0 H GLY A 489 -20.198 16.164 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -20.225 17.213 -13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -20.836 17.963 -11.676 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.360 1.350 4.872 1.00 0.00 ZN