USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=16 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 26:sc= 0.501 USER MOD Single : A 446 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 451 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ -149:sc= -0.363 (180deg=-1.49!) USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 ASN : amide:sc= 0 X(o=0,f=-0.065) 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= 0.48 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+ -166:sc= -0.0365 (180deg=-0.269) USER MOD Single : A 479 SER OG : rot 53:sc= 0.0325 USER MOD Single : A 482 LYS NZ :NH3+ 164:sc= -0.0125 (180deg=-0.178) USER MOD Single : A 484 SER OG : rot 180:sc= 0.00852 USER MOD Single : A 487 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 29.660 27.886 15.335 1.00 0.00 N ATOM 2 CA GLY A 444 30.262 26.700 14.755 1.00 0.00 C ATOM 3 C GLY A 444 29.918 25.440 15.524 1.00 0.00 C ATOM 4 O GLY A 444 30.609 25.076 16.475 1.00 0.00 O ATOM 0 HA2 GLY A 444 29.928 26.595 13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 444 31.345 26.822 14.729 1.00 0.00 H new ATOM 8 N SER A 445 28.845 24.772 15.112 1.00 0.00 N ATOM 9 CA SER A 445 28.406 23.548 15.773 1.00 0.00 C ATOM 10 C SER A 445 28.275 22.406 14.769 1.00 0.00 C ATOM 11 O SER A 445 27.496 22.487 13.819 1.00 0.00 O ATOM 12 CB SER A 445 27.069 23.776 16.480 1.00 0.00 C ATOM 13 OG SER A 445 26.055 24.123 15.554 1.00 0.00 O ATOM 0 H SER A 445 28.264 25.058 14.324 1.00 0.00 H new ATOM 0 HA SER A 445 29.158 23.274 16.513 1.00 0.00 H new ATOM 0 HB2 SER A 445 26.780 22.873 17.019 1.00 0.00 H new ATOM 0 HB3 SER A 445 27.176 24.569 17.221 1.00 0.00 H new ATOM 0 HG SER A 445 26.281 23.762 14.671 1.00 0.00 H new ATOM 19 N SER A 446 29.044 21.344 14.987 1.00 0.00 N ATOM 20 CA SER A 446 29.017 20.187 14.100 1.00 0.00 C ATOM 21 C SER A 446 27.811 19.302 14.398 1.00 0.00 C ATOM 22 O SER A 446 27.838 18.484 15.317 1.00 0.00 O ATOM 23 CB SER A 446 30.307 19.377 14.246 1.00 0.00 C ATOM 24 OG SER A 446 30.099 18.020 13.893 1.00 0.00 O ATOM 0 H SER A 446 29.693 21.261 15.770 1.00 0.00 H new ATOM 0 HA SER A 446 28.936 20.548 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 446 31.083 19.806 13.613 1.00 0.00 H new ATOM 0 HB3 SER A 446 30.664 19.438 15.274 1.00 0.00 H new ATOM 0 HG SER A 446 30.938 17.524 13.993 1.00 0.00 H new ATOM 30 N GLY A 447 26.751 19.472 13.612 1.00 0.00 N ATOM 31 CA GLY A 447 25.549 18.683 13.807 1.00 0.00 C ATOM 32 C GLY A 447 24.290 19.527 13.776 1.00 0.00 C ATOM 33 O GLY A 447 23.932 20.155 14.772 1.00 0.00 O ATOM 0 H GLY A 447 26.704 20.142 12.844 1.00 0.00 H new ATOM 0 HA2 GLY A 447 25.490 17.919 13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 447 25.611 18.163 14.763 1.00 0.00 H new ATOM 37 N SER A 448 23.619 19.543 12.629 1.00 0.00 N ATOM 38 CA SER A 448 22.395 20.321 12.471 1.00 0.00 C ATOM 39 C SER A 448 21.205 19.410 12.186 1.00 0.00 C ATOM 40 O SER A 448 20.271 19.324 12.983 1.00 0.00 O ATOM 41 CB SER A 448 22.556 21.339 11.340 1.00 0.00 C ATOM 42 OG SER A 448 23.133 20.740 10.193 1.00 0.00 O ATOM 0 H SER A 448 23.902 19.027 11.796 1.00 0.00 H new ATOM 0 HA SER A 448 22.208 20.852 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 448 21.584 21.760 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 448 23.182 22.165 11.677 1.00 0.00 H new ATOM 0 HG SER A 448 23.224 21.411 9.484 1.00 0.00 H new ATOM 48 N SER A 449 21.248 18.732 11.044 1.00 0.00 N ATOM 49 CA SER A 449 20.172 17.830 10.650 1.00 0.00 C ATOM 50 C SER A 449 20.663 16.813 9.625 1.00 0.00 C ATOM 51 O SER A 449 21.003 17.166 8.496 1.00 0.00 O ATOM 52 CB SER A 449 18.997 18.624 10.074 1.00 0.00 C ATOM 53 OG SER A 449 17.835 17.819 9.980 1.00 0.00 O ATOM 0 H SER A 449 22.016 18.790 10.375 1.00 0.00 H new ATOM 0 HA SER A 449 19.839 17.293 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 449 18.794 19.489 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 449 19.260 19.005 9.087 1.00 0.00 H new ATOM 0 HG SER A 449 17.098 18.350 9.611 1.00 0.00 H new ATOM 59 N GLY A 450 20.699 15.546 10.028 1.00 0.00 N ATOM 60 CA GLY A 450 21.151 14.496 9.134 1.00 0.00 C ATOM 61 C GLY A 450 20.088 14.091 8.131 1.00 0.00 C ATOM 62 O GLY A 450 19.015 13.618 8.509 1.00 0.00 O ATOM 0 H GLY A 450 20.423 15.228 10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 450 22.039 14.835 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 450 21.444 13.625 9.720 1.00 0.00 H new ATOM 66 N THR A 451 20.385 14.278 6.849 1.00 0.00 N ATOM 67 CA THR A 451 19.446 13.931 5.789 1.00 0.00 C ATOM 68 C THR A 451 20.063 12.939 4.811 1.00 0.00 C ATOM 69 O THR A 451 19.725 12.927 3.628 1.00 0.00 O ATOM 70 CB THR A 451 18.987 15.181 5.015 1.00 0.00 C ATOM 71 OG1 THR A 451 20.102 15.778 4.343 1.00 0.00 O ATOM 72 CG2 THR A 451 18.351 16.196 5.953 1.00 0.00 C ATOM 0 H THR A 451 21.268 14.668 6.519 1.00 0.00 H new ATOM 0 HA THR A 451 18.582 13.472 6.269 1.00 0.00 H new ATOM 0 HB THR A 451 18.243 14.873 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 451 19.802 16.571 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 451 18.035 17.070 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 451 17.485 15.748 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 451 19.077 16.498 6.708 1.00 0.00 H new ATOM 80 N GLY A 452 20.971 12.106 5.312 1.00 0.00 N ATOM 81 CA GLY A 452 21.620 11.121 4.468 1.00 0.00 C ATOM 82 C GLY A 452 20.687 9.997 4.065 1.00 0.00 C ATOM 83 O GLY A 452 19.879 10.151 3.149 1.00 0.00 O ATOM 0 H GLY A 452 21.268 12.096 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 452 22.002 11.610 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 452 22.479 10.705 4.995 1.00 0.00 H new ATOM 87 N GLU A 453 20.798 8.863 4.749 1.00 0.00 N ATOM 88 CA GLU A 453 19.958 7.708 4.454 1.00 0.00 C ATOM 89 C GLU A 453 18.497 7.999 4.787 1.00 0.00 C ATOM 90 O GLU A 453 18.189 8.957 5.495 1.00 0.00 O ATOM 91 CB GLU A 453 20.438 6.486 5.240 1.00 0.00 C ATOM 92 CG GLU A 453 21.862 6.071 4.910 1.00 0.00 C ATOM 93 CD GLU A 453 21.948 5.231 3.651 1.00 0.00 C ATOM 94 OE1 GLU A 453 21.259 4.192 3.582 1.00 0.00 O ATOM 95 OE2 GLU A 453 22.705 5.613 2.734 1.00 0.00 O ATOM 0 H GLU A 453 21.461 8.719 5.511 1.00 0.00 H new ATOM 0 HA GLU A 453 20.035 7.498 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 453 20.369 6.700 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 453 19.769 5.649 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 453 22.478 6.962 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 453 22.276 5.508 5.747 1.00 0.00 H new ATOM 102 N LYS A 454 17.602 7.164 4.270 1.00 0.00 N ATOM 103 CA LYS A 454 16.173 7.328 4.512 1.00 0.00 C ATOM 104 C LYS A 454 15.609 6.134 5.275 1.00 0.00 C ATOM 105 O LYS A 454 16.050 5.000 5.087 1.00 0.00 O ATOM 106 CB LYS A 454 15.428 7.498 3.186 1.00 0.00 C ATOM 107 CG LYS A 454 14.057 8.136 3.337 1.00 0.00 C ATOM 108 CD LYS A 454 14.156 9.647 3.460 1.00 0.00 C ATOM 109 CE LYS A 454 14.153 10.319 2.096 1.00 0.00 C ATOM 110 NZ LYS A 454 15.515 10.358 1.494 1.00 0.00 N ATOM 0 H LYS A 454 17.841 6.367 3.681 1.00 0.00 H new ATOM 0 HA LYS A 454 16.033 8.223 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 454 16.032 8.109 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.316 6.522 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 454 13.439 7.880 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 454 13.561 7.730 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 454 13.321 10.020 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 454 15.069 9.910 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 454 13.476 9.784 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 454 13.769 11.335 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 15.607 11.205 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 16.228 10.388 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 15.662 9.508 0.913 1.00 0.00 H new ATOM 124 N LEU A 455 14.632 6.396 6.135 1.00 0.00 N ATOM 125 CA LEU A 455 14.006 5.342 6.926 1.00 0.00 C ATOM 126 C LEU A 455 12.589 5.062 6.436 1.00 0.00 C ATOM 127 O LEU A 455 11.646 5.767 6.797 1.00 0.00 O ATOM 128 CB LEU A 455 13.978 5.735 8.405 1.00 0.00 C ATOM 129 CG LEU A 455 15.331 6.064 9.037 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.677 7.529 8.826 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.322 5.724 10.521 1.00 0.00 C ATOM 0 H LEU A 455 14.256 7.329 6.303 1.00 0.00 H new ATOM 0 HA LEU A 455 14.597 4.434 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.326 6.601 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.525 4.920 8.969 1.00 0.00 H new ATOM 0 HG LEU A 455 16.095 5.458 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.643 7.744 9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 455 15.725 7.741 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.911 8.154 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.292 5.964 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.547 6.303 11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.120 4.661 10.649 1.00 0.00 H new ATOM 143 N TYR A 456 12.447 4.029 5.614 1.00 0.00 N ATOM 144 CA TYR A 456 11.145 3.655 5.074 1.00 0.00 C ATOM 145 C TYR A 456 10.258 3.052 6.159 1.00 0.00 C ATOM 146 O TYR A 456 10.688 2.183 6.916 1.00 0.00 O ATOM 147 CB TYR A 456 11.312 2.660 3.925 1.00 0.00 C ATOM 148 CG TYR A 456 12.370 3.064 2.923 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.447 4.370 2.454 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.291 2.141 2.445 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.412 4.744 1.538 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.260 2.506 1.530 1.00 0.00 C ATOM 153 CZ TYR A 456 14.316 3.809 1.080 1.00 0.00 C ATOM 154 OH TYR A 456 15.278 4.176 0.167 1.00 0.00 O ATOM 0 H TYR A 456 13.217 3.435 5.307 1.00 0.00 H new ATOM 0 HA TYR A 456 10.664 4.558 4.697 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.567 1.683 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.358 2.550 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.741 5.105 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.249 1.120 2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.458 5.763 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 456 14.969 1.776 1.169 1.00 0.00 H new ATOM 0 HH TYR A 456 15.835 3.400 -0.051 1.00 0.00 H new ATOM 164 N ASN A 457 9.016 3.521 6.227 1.00 0.00 N ATOM 165 CA ASN A 457 8.066 3.028 7.218 1.00 0.00 C ATOM 166 C ASN A 457 6.706 3.697 7.048 1.00 0.00 C ATOM 167 O ASN A 457 6.583 4.917 7.163 1.00 0.00 O ATOM 168 CB ASN A 457 8.597 3.279 8.631 1.00 0.00 C ATOM 169 CG ASN A 457 7.526 3.104 9.691 1.00 0.00 C ATOM 170 OD1 ASN A 457 6.911 4.074 10.134 1.00 0.00 O ATOM 171 ND2 ASN A 457 7.298 1.862 10.102 1.00 0.00 N ATOM 0 H ASN A 457 8.644 4.241 5.608 1.00 0.00 H new ATOM 0 HA ASN A 457 7.944 1.955 7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.420 2.594 8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 457 9.001 4.290 8.690 1.00 0.00 H new ATOM 0 HD21 ASN A 457 6.589 1.682 10.813 1.00 0.00 H new ATOM 0 HD22 ASN A 457 7.832 1.088 9.707 1.00 0.00 H new ATOM 178 N CYS A 458 5.686 2.891 6.774 1.00 0.00 N ATOM 179 CA CYS A 458 4.334 3.403 6.588 1.00 0.00 C ATOM 180 C CYS A 458 3.747 3.885 7.912 1.00 0.00 C ATOM 181 O CYS A 458 3.438 3.084 8.795 1.00 0.00 O ATOM 182 CB CYS A 458 3.435 2.322 5.983 1.00 0.00 C ATOM 183 SG CYS A 458 1.908 2.963 5.225 1.00 0.00 S ATOM 0 H CYS A 458 5.770 1.879 6.676 1.00 0.00 H new ATOM 0 HA CYS A 458 4.385 4.250 5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.000 1.775 5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.169 1.608 6.762 1.00 0.00 H new ATOM 188 N LYS A 459 3.596 5.198 8.042 1.00 0.00 N ATOM 189 CA LYS A 459 3.046 5.789 9.256 1.00 0.00 C ATOM 190 C LYS A 459 1.522 5.821 9.203 1.00 0.00 C ATOM 191 O LYS A 459 0.855 5.779 10.237 1.00 0.00 O ATOM 192 CB LYS A 459 3.590 7.206 9.451 1.00 0.00 C ATOM 193 CG LYS A 459 5.103 7.265 9.569 1.00 0.00 C ATOM 194 CD LYS A 459 5.549 8.421 10.450 1.00 0.00 C ATOM 195 CE LYS A 459 6.824 8.085 11.207 1.00 0.00 C ATOM 196 NZ LYS A 459 8.042 8.387 10.404 1.00 0.00 N ATOM 0 H LYS A 459 3.847 5.874 7.321 1.00 0.00 H new ATOM 0 HA LYS A 459 3.350 5.171 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.275 7.826 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 459 3.147 7.636 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.473 6.327 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.542 7.372 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 459 5.712 9.306 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 459 4.758 8.666 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 459 6.853 8.651 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 459 6.819 7.029 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 8.890 8.144 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 8.027 7.828 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 8.060 9.400 10.169 1.00 0.00 H new ATOM 210 N GLU A 460 0.978 5.894 7.992 1.00 0.00 N ATOM 211 CA GLU A 460 -0.468 5.931 7.806 1.00 0.00 C ATOM 212 C GLU A 460 -1.141 4.778 8.546 1.00 0.00 C ATOM 213 O GLU A 460 -1.781 4.978 9.579 1.00 0.00 O ATOM 214 CB GLU A 460 -0.815 5.868 6.317 1.00 0.00 C ATOM 215 CG GLU A 460 -0.279 7.043 5.517 1.00 0.00 C ATOM 216 CD GLU A 460 -0.644 6.963 4.048 1.00 0.00 C ATOM 217 OE1 GLU A 460 -1.776 7.354 3.695 1.00 0.00 O ATOM 218 OE2 GLU A 460 0.204 6.510 3.251 1.00 0.00 O ATOM 0 H GLU A 460 1.516 5.929 7.126 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.838 6.870 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.418 4.943 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -1.899 5.828 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -0.670 7.971 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 460 0.806 7.081 5.617 1.00 0.00 H new ATOM 225 N CYS A 461 -0.993 3.572 8.009 1.00 0.00 N ATOM 226 CA CYS A 461 -1.586 2.386 8.616 1.00 0.00 C ATOM 227 C CYS A 461 -0.714 1.863 9.753 1.00 0.00 C ATOM 228 O CYS A 461 -1.205 1.222 10.682 1.00 0.00 O ATOM 229 CB CYS A 461 -1.782 1.293 7.563 1.00 0.00 C ATOM 230 SG CYS A 461 -0.229 0.569 6.945 1.00 0.00 S ATOM 0 H CYS A 461 -0.467 3.390 7.154 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.557 2.664 9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.396 0.499 7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.336 1.709 6.722 1.00 0.00 H new ATOM 235 N GLY A 462 0.584 2.140 9.672 1.00 0.00 N ATOM 236 CA GLY A 462 1.504 1.690 10.700 1.00 0.00 C ATOM 237 C GLY A 462 1.974 0.267 10.475 1.00 0.00 C ATOM 238 O GLY A 462 1.755 -0.608 11.313 1.00 0.00 O ATOM 0 H GLY A 462 1.015 2.668 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.368 2.355 10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.018 1.759 11.673 1.00 0.00 H new ATOM 242 N LYS A 463 2.621 0.032 9.338 1.00 0.00 N ATOM 243 CA LYS A 463 3.123 -1.295 9.003 1.00 0.00 C ATOM 244 C LYS A 463 4.524 -1.212 8.406 1.00 0.00 C ATOM 245 O LYS A 463 4.829 -0.299 7.638 1.00 0.00 O ATOM 246 CB LYS A 463 2.178 -1.987 8.018 1.00 0.00 C ATOM 247 CG LYS A 463 0.878 -2.455 8.649 1.00 0.00 C ATOM 248 CD LYS A 463 -0.059 -3.055 7.615 1.00 0.00 C ATOM 249 CE LYS A 463 -1.442 -3.307 8.196 1.00 0.00 C ATOM 250 NZ LYS A 463 -1.540 -4.648 8.835 1.00 0.00 N ATOM 0 H LYS A 463 2.810 0.744 8.633 1.00 0.00 H new ATOM 0 HA LYS A 463 3.172 -1.880 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.950 -1.300 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.688 -2.844 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.092 -3.195 9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.388 -1.615 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.139 -2.382 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.358 -3.992 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -1.672 -2.537 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -2.188 -3.226 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -2.498 -4.781 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -1.345 -5.385 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.846 -4.717 9.606 1.00 0.00 H new ATOM 264 N SER A 464 5.373 -2.171 8.764 1.00 0.00 N ATOM 265 CA SER A 464 6.743 -2.204 8.265 1.00 0.00 C ATOM 266 C SER A 464 6.973 -3.433 7.391 1.00 0.00 C ATOM 267 O SER A 464 6.982 -4.563 7.879 1.00 0.00 O ATOM 268 CB SER A 464 7.733 -2.201 9.431 1.00 0.00 C ATOM 269 OG SER A 464 7.492 -3.288 10.308 1.00 0.00 O ATOM 0 H SER A 464 5.136 -2.935 9.397 1.00 0.00 H new ATOM 0 HA SER A 464 6.904 -1.313 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.752 -2.258 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.651 -1.262 9.979 1.00 0.00 H new ATOM 0 HG SER A 464 7.380 -4.110 9.787 1.00 0.00 H new ATOM 275 N PHE A 465 7.158 -3.203 6.095 1.00 0.00 N ATOM 276 CA PHE A 465 7.388 -4.291 5.151 1.00 0.00 C ATOM 277 C PHE A 465 8.846 -4.740 5.182 1.00 0.00 C ATOM 278 O PHE A 465 9.741 -3.955 5.495 1.00 0.00 O ATOM 279 CB PHE A 465 7.007 -3.854 3.735 1.00 0.00 C ATOM 280 CG PHE A 465 5.525 -3.848 3.487 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.700 -2.963 4.161 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.958 -4.730 2.581 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.336 -2.955 3.935 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.595 -4.726 2.351 1.00 0.00 C ATOM 285 CZ PHE A 465 2.783 -3.838 3.030 1.00 0.00 C ATOM 0 H PHE A 465 7.153 -2.274 5.675 1.00 0.00 H new ATOM 0 HA PHE A 465 6.761 -5.133 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.402 -2.854 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.485 -4.520 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.127 -2.271 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.588 -5.428 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.704 -2.259 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.165 -5.417 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.718 -3.835 2.853 1.00 0.00 H new ATOM 295 N SER A 466 9.075 -6.008 4.856 1.00 0.00 N ATOM 296 CA SER A 466 10.423 -6.563 4.851 1.00 0.00 C ATOM 297 C SER A 466 11.241 -5.994 3.695 1.00 0.00 C ATOM 298 O SER A 466 12.415 -5.660 3.856 1.00 0.00 O ATOM 299 CB SER A 466 10.369 -8.089 4.749 1.00 0.00 C ATOM 300 OG SER A 466 9.490 -8.633 5.718 1.00 0.00 O ATOM 0 H SER A 466 8.345 -6.670 4.592 1.00 0.00 H new ATOM 0 HA SER A 466 10.907 -6.285 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 466 10.040 -8.379 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.368 -8.502 4.887 1.00 0.00 H new ATOM 0 HG SER A 466 9.471 -9.609 5.631 1.00 0.00 H new ATOM 306 N ARG A 467 10.611 -5.888 2.529 1.00 0.00 N ATOM 307 CA ARG A 467 11.279 -5.361 1.345 1.00 0.00 C ATOM 308 C ARG A 467 11.155 -3.841 1.282 1.00 0.00 C ATOM 309 O ARG A 467 10.060 -3.304 1.118 1.00 0.00 O ATOM 310 CB ARG A 467 10.688 -5.984 0.080 1.00 0.00 C ATOM 311 CG ARG A 467 10.806 -7.499 0.034 1.00 0.00 C ATOM 312 CD ARG A 467 10.707 -8.023 -1.390 1.00 0.00 C ATOM 313 NE ARG A 467 10.849 -9.475 -1.450 1.00 0.00 N ATOM 314 CZ ARG A 467 12.021 -10.101 -1.414 1.00 0.00 C ATOM 315 NH1 ARG A 467 13.145 -9.405 -1.318 1.00 0.00 N ATOM 316 NH2 ARG A 467 12.068 -11.426 -1.473 1.00 0.00 N ATOM 0 H ARG A 467 9.639 -6.160 2.379 1.00 0.00 H new ATOM 0 HA ARG A 467 12.336 -5.620 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.636 -5.708 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.190 -5.562 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 467 11.757 -7.804 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.019 -7.945 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 467 9.746 -7.735 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 467 11.480 -7.558 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 467 10.003 -10.040 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 467 13.112 -8.387 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 467 14.043 -9.888 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 467 11.205 -11.964 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 467 12.968 -11.906 -1.445 1.00 0.00 H new ATOM 330 N ALA A 468 12.285 -3.155 1.415 1.00 0.00 N ATOM 331 CA ALA A 468 12.304 -1.698 1.371 1.00 0.00 C ATOM 332 C ALA A 468 11.724 -1.180 0.059 1.00 0.00 C ATOM 333 O ALA A 468 10.794 -0.374 0.039 1.00 0.00 O ATOM 334 CB ALA A 468 13.722 -1.182 1.564 1.00 0.00 C ATOM 0 H ALA A 468 13.200 -3.585 1.554 1.00 0.00 H new ATOM 0 HA ALA A 468 11.681 -1.327 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.721 -0.093 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.101 -1.513 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.361 -1.570 0.771 1.00 0.00 H new ATOM 340 N PRO A 469 12.286 -1.652 -1.064 1.00 0.00 N ATOM 341 CA PRO A 469 11.841 -1.250 -2.401 1.00 0.00 C ATOM 342 C PRO A 469 10.325 -1.323 -2.553 1.00 0.00 C ATOM 343 O PRO A 469 9.716 -0.474 -3.206 1.00 0.00 O ATOM 344 CB PRO A 469 12.520 -2.267 -3.322 1.00 0.00 C ATOM 345 CG PRO A 469 13.728 -2.711 -2.570 1.00 0.00 C ATOM 346 CD PRO A 469 13.399 -2.615 -1.114 1.00 0.00 C ATOM 0 HA PRO A 469 12.100 -0.215 -2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.859 -3.106 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.791 -1.817 -4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.995 -3.733 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.586 -2.084 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.108 -3.583 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.254 -2.268 -0.533 1.00 0.00 H new ATOM 354 N CYS A 470 9.723 -2.340 -1.948 1.00 0.00 N ATOM 355 CA CYS A 470 8.277 -2.523 -2.017 1.00 0.00 C ATOM 356 C CYS A 470 7.564 -1.591 -1.043 1.00 0.00 C ATOM 357 O CYS A 470 6.504 -1.044 -1.353 1.00 0.00 O ATOM 358 CB CYS A 470 7.911 -3.976 -1.712 1.00 0.00 C ATOM 359 SG CYS A 470 8.209 -5.116 -3.083 1.00 0.00 S ATOM 0 H CYS A 470 10.213 -3.051 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 470 7.952 -2.279 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.483 -4.309 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.858 -4.024 -1.436 1.00 0.00 H new ATOM 0 HG CYS A 470 7.871 -6.320 -2.728 1.00 0.00 H new ATOM 365 N LEU A 471 8.150 -1.414 0.136 1.00 0.00 N ATOM 366 CA LEU A 471 7.570 -0.549 1.157 1.00 0.00 C ATOM 367 C LEU A 471 7.295 0.844 0.599 1.00 0.00 C ATOM 368 O LEU A 471 6.198 1.381 0.753 1.00 0.00 O ATOM 369 CB LEU A 471 8.506 -0.452 2.363 1.00 0.00 C ATOM 370 CG LEU A 471 8.026 0.429 3.516 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.621 0.031 3.943 1.00 0.00 C ATOM 372 CD2 LEU A 471 8.987 0.340 4.692 1.00 0.00 C ATOM 0 H LEU A 471 9.027 -1.858 0.409 1.00 0.00 H new ATOM 0 HA LEU A 471 6.623 -0.987 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.676 -1.458 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.469 -0.074 2.020 1.00 0.00 H new ATOM 0 HG LEU A 471 8.000 1.463 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.296 0.669 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.938 0.147 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.621 -1.009 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.629 0.974 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.045 -0.692 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 471 9.976 0.675 4.380 1.00 0.00 H new ATOM 384 N LEU A 472 8.298 1.423 -0.052 1.00 0.00 N ATOM 385 CA LEU A 472 8.165 2.753 -0.636 1.00 0.00 C ATOM 386 C LEU A 472 6.939 2.830 -1.540 1.00 0.00 C ATOM 387 O LEU A 472 6.278 3.866 -1.623 1.00 0.00 O ATOM 388 CB LEU A 472 9.422 3.111 -1.431 1.00 0.00 C ATOM 389 CG LEU A 472 10.639 3.533 -0.607 1.00 0.00 C ATOM 390 CD1 LEU A 472 11.923 3.076 -1.280 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.649 5.041 -0.403 1.00 0.00 C ATOM 0 H LEU A 472 9.212 0.992 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 472 8.041 3.469 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.701 2.250 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.175 3.920 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 472 10.575 3.055 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.779 3.385 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.918 1.990 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 472 11.994 3.525 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.522 5.323 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.688 5.539 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.744 5.343 0.124 1.00 0.00 H new ATOM 403 N LYS A 473 6.638 1.726 -2.216 1.00 0.00 N ATOM 404 CA LYS A 473 5.489 1.666 -3.112 1.00 0.00 C ATOM 405 C LYS A 473 4.188 1.573 -2.322 1.00 0.00 C ATOM 406 O LYS A 473 3.177 2.166 -2.701 1.00 0.00 O ATOM 407 CB LYS A 473 5.613 0.465 -4.053 1.00 0.00 C ATOM 408 CG LYS A 473 6.918 0.433 -4.830 1.00 0.00 C ATOM 409 CD LYS A 473 7.101 1.689 -5.665 1.00 0.00 C ATOM 410 CE LYS A 473 6.030 1.805 -6.739 1.00 0.00 C ATOM 411 NZ LYS A 473 6.069 0.658 -7.688 1.00 0.00 N ATOM 0 H LYS A 473 7.174 0.860 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 473 5.471 2.582 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.524 -0.452 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.781 0.478 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 473 7.753 0.331 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 473 6.934 -0.442 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 473 7.066 2.566 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 473 8.086 1.677 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 473 5.048 1.854 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 473 6.167 2.736 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 5.498 0.883 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.052 0.479 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 5.684 -0.190 -7.224 1.00 0.00 H new ATOM 425 N HIS A 474 4.219 0.827 -1.222 1.00 0.00 N ATOM 426 CA HIS A 474 3.042 0.660 -0.378 1.00 0.00 C ATOM 427 C HIS A 474 2.563 2.005 0.159 1.00 0.00 C ATOM 428 O HIS A 474 1.361 2.257 0.244 1.00 0.00 O ATOM 429 CB HIS A 474 3.352 -0.285 0.783 1.00 0.00 C ATOM 430 CG HIS A 474 2.253 -0.368 1.798 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.151 -1.184 1.649 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.091 0.268 2.982 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.358 -1.044 2.697 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.906 -0.169 3.521 1.00 0.00 N ATOM 0 H HIS A 474 5.047 0.329 -0.895 1.00 0.00 H new ATOM 0 HA HIS A 474 2.247 0.228 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.546 -1.282 0.387 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.266 0.046 1.276 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.976 -1.799 0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.768 0.986 3.421 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.579 -1.558 2.853 1.00 0.00 H new ATOM 442 N GLU A 475 3.510 2.864 0.521 1.00 0.00 N ATOM 443 CA GLU A 475 3.183 4.182 1.052 1.00 0.00 C ATOM 444 C GLU A 475 2.444 5.019 0.012 1.00 0.00 C ATOM 445 O GLU A 475 1.604 5.852 0.353 1.00 0.00 O ATOM 446 CB GLU A 475 4.455 4.908 1.496 1.00 0.00 C ATOM 447 CG GLU A 475 5.223 4.180 2.586 1.00 0.00 C ATOM 448 CD GLU A 475 6.550 4.838 2.905 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.715 6.031 2.573 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.425 4.162 3.486 1.00 0.00 O ATOM 0 H GLU A 475 4.510 2.671 0.456 1.00 0.00 H new ATOM 0 HA GLU A 475 2.531 4.046 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.106 5.043 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.189 5.903 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.615 4.141 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.398 3.150 2.275 1.00 0.00 H new ATOM 457 N ARG A 476 2.764 4.792 -1.258 1.00 0.00 N ATOM 458 CA ARG A 476 2.132 5.525 -2.348 1.00 0.00 C ATOM 459 C ARG A 476 0.756 4.947 -2.667 1.00 0.00 C ATOM 460 O ARG A 476 -0.170 5.678 -3.020 1.00 0.00 O ATOM 461 CB ARG A 476 3.015 5.486 -3.597 1.00 0.00 C ATOM 462 CG ARG A 476 4.357 6.175 -3.414 1.00 0.00 C ATOM 463 CD ARG A 476 4.188 7.664 -3.152 1.00 0.00 C ATOM 464 NE ARG A 476 3.418 8.321 -4.204 1.00 0.00 N ATOM 465 CZ ARG A 476 3.898 8.579 -5.415 1.00 0.00 C ATOM 466 NH1 ARG A 476 5.140 8.236 -5.726 1.00 0.00 N ATOM 467 NH2 ARG A 476 3.134 9.180 -6.319 1.00 0.00 N ATOM 0 H ARG A 476 3.457 4.106 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 476 2.008 6.560 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.185 4.447 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.483 5.958 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.892 5.717 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.967 6.028 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.689 7.809 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 476 5.169 8.132 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 476 2.458 8.597 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 476 5.729 7.773 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 476 5.506 8.435 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 476 2.177 9.444 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 476 3.504 9.378 -7.249 1.00 0.00 H new ATOM 481 N LEU A 477 0.630 3.630 -2.540 1.00 0.00 N ATOM 482 CA LEU A 477 -0.632 2.953 -2.815 1.00 0.00 C ATOM 483 C LEU A 477 -1.761 3.542 -1.976 1.00 0.00 C ATOM 484 O LEU A 477 -2.907 3.617 -2.421 1.00 0.00 O ATOM 485 CB LEU A 477 -0.502 1.455 -2.535 1.00 0.00 C ATOM 486 CG LEU A 477 0.274 0.643 -3.572 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.364 -0.816 -3.151 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.378 0.765 -4.942 1.00 0.00 C ATOM 0 H LEU A 477 1.386 3.011 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.872 3.100 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.018 1.327 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.504 1.034 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 477 1.285 1.044 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.920 -1.378 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.877 -0.887 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.640 -1.230 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.188 0.181 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.401 0.391 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.389 1.811 -5.248 1.00 0.00 H new ATOM 500 N HIS A 478 -1.429 3.963 -0.759 1.00 0.00 N ATOM 501 CA HIS A 478 -2.415 4.549 0.143 1.00 0.00 C ATOM 502 C HIS A 478 -3.070 5.772 -0.490 1.00 0.00 C ATOM 503 O HIS A 478 -2.469 6.844 -0.562 1.00 0.00 O ATOM 504 CB HIS A 478 -1.758 4.936 1.468 1.00 0.00 C ATOM 505 CG HIS A 478 -1.653 3.801 2.439 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.743 3.273 3.100 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.580 3.091 2.860 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.344 2.289 3.885 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.036 2.158 3.758 1.00 0.00 N ATOM 0 H HIS A 478 -0.486 3.909 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.187 3.803 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.760 5.326 1.269 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.330 5.743 1.926 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.706 3.593 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.444 3.232 2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.980 1.693 4.523 1.00 0.00 H new ATOM 517 N SER A 479 -4.306 5.604 -0.950 1.00 0.00 N ATOM 518 CA SER A 479 -5.042 6.693 -1.581 1.00 0.00 C ATOM 519 C SER A 479 -5.954 7.388 -0.575 1.00 0.00 C ATOM 520 O SER A 479 -6.097 6.941 0.562 1.00 0.00 O ATOM 521 CB SER A 479 -5.868 6.165 -2.756 1.00 0.00 C ATOM 522 OG SER A 479 -5.030 5.700 -3.800 1.00 0.00 O ATOM 0 H SER A 479 -4.819 4.724 -0.897 1.00 0.00 H new ATOM 0 HA SER A 479 -4.319 7.420 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 479 -6.514 5.355 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 479 -6.518 6.955 -3.132 1.00 0.00 H new ATOM 0 HG SER A 479 -4.383 5.059 -3.439 1.00 0.00 H new ATOM 528 N GLY A 480 -6.571 8.485 -1.003 1.00 0.00 N ATOM 529 CA GLY A 480 -7.461 9.225 -0.129 1.00 0.00 C ATOM 530 C GLY A 480 -8.922 8.916 -0.393 1.00 0.00 C ATOM 531 O GLY A 480 -9.617 9.690 -1.050 1.00 0.00 O ATOM 0 H GLY A 480 -6.470 8.874 -1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -7.225 8.990 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -7.289 10.293 -0.261 1.00 0.00 H new ATOM 535 N GLU A 481 -9.387 7.781 0.120 1.00 0.00 N ATOM 536 CA GLU A 481 -10.774 7.372 -0.067 1.00 0.00 C ATOM 537 C GLU A 481 -11.705 8.173 0.839 1.00 0.00 C ATOM 538 O GLU A 481 -11.921 7.817 1.997 1.00 0.00 O ATOM 539 CB GLU A 481 -10.930 5.877 0.218 1.00 0.00 C ATOM 540 CG GLU A 481 -10.414 4.987 -0.901 1.00 0.00 C ATOM 541 CD GLU A 481 -10.232 3.546 -0.463 1.00 0.00 C ATOM 542 OE1 GLU A 481 -9.435 3.304 0.467 1.00 0.00 O ATOM 543 OE2 GLU A 481 -10.887 2.661 -1.052 1.00 0.00 O ATOM 0 H GLU A 481 -8.825 7.130 0.667 1.00 0.00 H new ATOM 0 HA GLU A 481 -11.047 7.568 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -10.399 5.634 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.984 5.656 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -11.110 5.023 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -9.462 5.377 -1.260 1.00 0.00 H new ATOM 550 N LYS A 482 -12.253 9.258 0.302 1.00 0.00 N ATOM 551 CA LYS A 482 -13.161 10.111 1.059 1.00 0.00 C ATOM 552 C LYS A 482 -14.413 10.429 0.248 1.00 0.00 C ATOM 553 O LYS A 482 -14.608 11.549 -0.225 1.00 0.00 O ATOM 554 CB LYS A 482 -12.458 11.409 1.462 1.00 0.00 C ATOM 555 CG LYS A 482 -13.021 12.041 2.723 1.00 0.00 C ATOM 556 CD LYS A 482 -14.304 12.805 2.439 1.00 0.00 C ATOM 557 CE LYS A 482 -14.711 13.670 3.622 1.00 0.00 C ATOM 558 NZ LYS A 482 -13.791 14.827 3.805 1.00 0.00 N ATOM 0 H LYS A 482 -12.084 9.567 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 482 -13.460 9.572 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -11.397 11.207 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -12.535 12.123 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -13.215 11.266 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -12.282 12.717 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -14.168 13.432 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -15.104 12.102 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -15.728 14.034 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -14.719 13.065 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -14.237 15.530 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -12.902 14.499 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -13.591 15.261 2.881 1.00 0.00 H new ATOM 572 N PRO A 483 -15.283 9.422 0.082 1.00 0.00 N ATOM 573 CA PRO A 483 -16.532 9.571 -0.671 1.00 0.00 C ATOM 574 C PRO A 483 -17.543 10.456 0.051 1.00 0.00 C ATOM 575 O PRO A 483 -18.404 11.072 -0.577 1.00 0.00 O ATOM 576 CB PRO A 483 -17.056 8.137 -0.777 1.00 0.00 C ATOM 577 CG PRO A 483 -16.462 7.429 0.392 1.00 0.00 C ATOM 578 CD PRO A 483 -15.116 8.061 0.617 1.00 0.00 C ATOM 0 HA PRO A 483 -16.371 10.053 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -18.145 8.110 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -16.754 7.673 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -17.094 7.533 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -16.364 6.362 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -14.851 8.075 1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -14.326 7.519 0.097 1.00 0.00 H new ATOM 586 N SER A 484 -17.431 10.514 1.375 1.00 0.00 N ATOM 587 CA SER A 484 -18.338 11.321 2.183 1.00 0.00 C ATOM 588 C SER A 484 -18.161 12.806 1.879 1.00 0.00 C ATOM 589 O SER A 484 -17.162 13.216 1.291 1.00 0.00 O ATOM 590 CB SER A 484 -18.096 11.061 3.671 1.00 0.00 C ATOM 591 OG SER A 484 -17.829 9.691 3.913 1.00 0.00 O ATOM 0 H SER A 484 -16.722 10.012 1.910 1.00 0.00 H new ATOM 0 HA SER A 484 -19.360 11.036 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 484 -17.257 11.665 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 484 -18.970 11.371 4.244 1.00 0.00 H new ATOM 0 HG SER A 484 -17.676 9.552 4.871 1.00 0.00 H new ATOM 597 N GLY A 485 -19.141 13.607 2.286 1.00 0.00 N ATOM 598 CA GLY A 485 -19.076 15.037 2.048 1.00 0.00 C ATOM 599 C GLY A 485 -20.439 15.642 1.774 1.00 0.00 C ATOM 600 O GLY A 485 -21.468 14.971 1.856 1.00 0.00 O ATOM 0 H GLY A 485 -19.978 13.291 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -18.632 15.527 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -18.419 15.232 1.201 1.00 0.00 H new ATOM 604 N PRO A 486 -20.458 16.941 1.441 1.00 0.00 N ATOM 605 CA PRO A 486 -21.698 17.665 1.148 1.00 0.00 C ATOM 606 C PRO A 486 -22.334 17.219 -0.164 1.00 0.00 C ATOM 607 O PRO A 486 -23.511 17.478 -0.413 1.00 0.00 O ATOM 608 CB PRO A 486 -21.243 19.124 1.053 1.00 0.00 C ATOM 609 CG PRO A 486 -19.805 19.048 0.672 1.00 0.00 C ATOM 610 CD PRO A 486 -19.269 17.803 1.324 1.00 0.00 C ATOM 0 HA PRO A 486 -22.461 17.490 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -21.821 19.671 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -21.374 19.642 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -19.690 19.002 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -19.264 19.931 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -18.492 17.336 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -18.830 18.017 2.299 1.00 0.00 H new ATOM 618 N SER A 487 -21.548 16.547 -0.999 1.00 0.00 N ATOM 619 CA SER A 487 -22.034 16.067 -2.287 1.00 0.00 C ATOM 620 C SER A 487 -23.031 14.927 -2.101 1.00 0.00 C ATOM 621 O SER A 487 -24.114 14.933 -2.686 1.00 0.00 O ATOM 622 CB SER A 487 -20.864 15.600 -3.156 1.00 0.00 C ATOM 623 OG SER A 487 -20.100 14.609 -2.492 1.00 0.00 O ATOM 0 H SER A 487 -20.572 16.323 -0.806 1.00 0.00 H new ATOM 0 HA SER A 487 -22.541 16.892 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 487 -21.242 15.202 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 487 -20.228 16.450 -3.402 1.00 0.00 H new ATOM 0 HG SER A 487 -19.360 14.326 -3.068 1.00 0.00 H new ATOM 629 N SER A 488 -22.656 13.950 -1.282 1.00 0.00 N ATOM 630 CA SER A 488 -23.515 12.800 -1.021 1.00 0.00 C ATOM 631 C SER A 488 -24.080 12.854 0.395 1.00 0.00 C ATOM 632 O SER A 488 -23.336 12.952 1.369 1.00 0.00 O ATOM 633 CB SER A 488 -22.735 11.499 -1.221 1.00 0.00 C ATOM 634 OG SER A 488 -22.526 11.236 -2.598 1.00 0.00 O ATOM 0 H SER A 488 -21.764 13.931 -0.788 1.00 0.00 H new ATOM 0 HA SER A 488 -24.345 12.830 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 488 -21.774 11.565 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 488 -23.280 10.671 -0.768 1.00 0.00 H new ATOM 0 HG SER A 488 -22.024 10.400 -2.699 1.00 0.00 H new ATOM 640 N GLY A 489 -25.404 12.791 0.499 1.00 0.00 N ATOM 641 CA GLY A 489 -26.048 12.835 1.799 1.00 0.00 C ATOM 642 C GLY A 489 -26.818 14.122 2.022 1.00 0.00 C ATOM 643 O GLY A 489 -27.773 14.122 2.797 1.00 0.00 O ATOM 0 H GLY A 489 -26.042 12.710 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -26.727 11.988 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -25.294 12.727 2.578 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.408 1.363 4.867 1.00 0.00 ZN