USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 13:sc= 0.595 USER MOD Single : A 4 LYS NZ :NH3+ -154:sc= 0.0131 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -61:sc= 0.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -48:sc= 0.812 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.909 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc=-0.00316 (180deg=-0.0836) USER MOD Single : A 19 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.156 (180deg=-0.727) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= 0.546 (180deg=-0.119) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.5!) USER MOD Single : A 34 HIS : no HE2:sc=0.000765 X(o=0.00076,f=-0.027) USER MOD Single : A 38 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00119 USER MOD Single : A 50 TYR OH : rot -54:sc= 0.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.014 1.339 2.305 1.00 0.00 N ATOM 19 CA SER A 3 8.417 1.717 2.423 1.00 0.00 C ATOM 20 C SER A 3 9.079 0.990 3.589 1.00 0.00 C ATOM 21 O SER A 3 8.536 0.936 4.693 1.00 0.00 O ATOM 22 CB SER A 3 8.545 3.230 2.612 1.00 0.00 C ATOM 23 OG SER A 3 7.438 3.910 2.046 1.00 0.00 O ATOM 0 HA SER A 3 8.924 1.429 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.614 3.462 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.467 3.581 2.149 1.00 0.00 H new ATOM 0 HG SER A 3 6.733 3.264 1.830 1.00 0.00 H new ATOM 29 N LYS A 4 10.258 0.430 3.337 1.00 0.00 N ATOM 30 CA LYS A 4 10.997 -0.294 4.364 1.00 0.00 C ATOM 31 C LYS A 4 12.398 -0.649 3.877 1.00 0.00 C ATOM 32 O LYS A 4 12.675 -0.621 2.677 1.00 0.00 O ATOM 33 CB LYS A 4 10.246 -1.567 4.761 1.00 0.00 C ATOM 34 CG LYS A 4 9.925 -2.475 3.586 1.00 0.00 C ATOM 35 CD LYS A 4 10.863 -3.669 3.533 1.00 0.00 C ATOM 36 CE LYS A 4 10.129 -4.968 3.833 1.00 0.00 C ATOM 37 NZ LYS A 4 11.069 -6.113 3.985 1.00 0.00 N ATOM 0 H LYS A 4 10.722 0.464 2.429 1.00 0.00 H new ATOM 0 HA LYS A 4 11.087 0.354 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.844 -2.121 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.317 -1.290 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.895 -2.823 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.000 -1.910 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.322 -3.729 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.670 -3.531 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.546 -4.853 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.424 -5.181 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.578 -6.999 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.878 -5.985 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.409 -6.155 4.967 1.00 0.00 H new ATOM 51 N LEU A 5 13.278 -0.985 4.814 1.00 0.00 N ATOM 52 CA LEU A 5 14.651 -1.348 4.480 1.00 0.00 C ATOM 53 C LEU A 5 14.806 -2.862 4.383 1.00 0.00 C ATOM 54 O LEU A 5 14.108 -3.613 5.066 1.00 0.00 O ATOM 55 CB LEU A 5 15.616 -0.791 5.528 1.00 0.00 C ATOM 56 CG LEU A 5 16.412 0.448 5.116 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.321 1.522 6.190 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.864 0.084 4.846 1.00 0.00 C ATOM 0 H LEU A 5 13.065 -1.014 5.811 1.00 0.00 H new ATOM 0 HA LEU A 5 14.889 -0.914 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.047 -0.550 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.320 -1.577 5.799 1.00 0.00 H new ATOM 0 HG LEU A 5 15.981 0.844 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.893 2.396 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.278 1.804 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.726 1.136 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.415 0.978 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.307 -0.337 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.912 -0.650 4.042 1.00 0.00 H new ATOM 70 N CYS A 6 15.726 -3.304 3.533 1.00 0.00 N ATOM 71 CA CYS A 6 15.975 -4.729 3.348 1.00 0.00 C ATOM 72 C CYS A 6 17.422 -5.077 3.685 1.00 0.00 C ATOM 73 O CYS A 6 18.351 -4.395 3.252 1.00 0.00 O ATOM 74 CB CYS A 6 15.663 -5.139 1.908 1.00 0.00 C ATOM 75 SG CYS A 6 13.890 -5.397 1.576 1.00 0.00 S ATOM 0 H CYS A 6 16.312 -2.696 2.961 1.00 0.00 H new ATOM 0 HA CYS A 6 15.321 -5.278 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.040 -4.371 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.202 -6.058 1.678 1.00 0.00 H new ATOM 80 N GLU A 7 17.604 -6.142 4.459 1.00 0.00 N ATOM 81 CA GLU A 7 18.938 -6.579 4.855 1.00 0.00 C ATOM 82 C GLU A 7 19.207 -8.003 4.377 1.00 0.00 C ATOM 83 O GLU A 7 18.345 -8.876 4.473 1.00 0.00 O ATOM 84 CB GLU A 7 19.095 -6.501 6.375 1.00 0.00 C ATOM 85 CG GLU A 7 20.405 -5.873 6.820 1.00 0.00 C ATOM 86 CD GLU A 7 20.480 -5.684 8.323 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.493 -6.015 9.012 1.00 0.00 O ATOM 88 OE2 GLU A 7 21.525 -5.205 8.809 1.00 0.00 O ATOM 0 H GLU A 7 16.845 -6.718 4.824 1.00 0.00 H new ATOM 0 HA GLU A 7 19.664 -5.914 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.267 -5.925 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.024 -7.506 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.234 -6.502 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.526 -4.907 6.330 1.00 0.00 H new ATOM 95 N LYS A 8 20.411 -8.230 3.861 1.00 0.00 N ATOM 96 CA LYS A 8 20.796 -9.547 3.368 1.00 0.00 C ATOM 97 C LYS A 8 21.927 -10.132 4.208 1.00 0.00 C ATOM 98 O LYS A 8 23.004 -9.545 4.316 1.00 0.00 O ATOM 99 CB LYS A 8 21.229 -9.459 1.903 1.00 0.00 C ATOM 100 CG LYS A 8 20.812 -10.661 1.072 1.00 0.00 C ATOM 101 CD LYS A 8 19.736 -10.295 0.064 1.00 0.00 C ATOM 102 CE LYS A 8 18.344 -10.577 0.607 1.00 0.00 C ATOM 103 NZ LYS A 8 17.388 -9.484 0.276 1.00 0.00 N ATOM 0 H LYS A 8 21.137 -7.519 3.774 1.00 0.00 H new ATOM 0 HA LYS A 8 19.930 -10.204 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.805 -8.557 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.313 -9.356 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.680 -11.062 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.444 -11.449 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.820 -9.239 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.890 -10.860 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.977 -11.517 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.394 -10.700 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.451 -9.714 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.725 -8.591 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.320 -9.383 -0.757 1.00 0.00 H new ATOM 117 N THR A 9 21.676 -11.295 4.802 1.00 0.00 N ATOM 118 CA THR A 9 22.672 -11.961 5.632 1.00 0.00 C ATOM 119 C THR A 9 23.351 -13.095 4.873 1.00 0.00 C ATOM 120 O THR A 9 23.274 -14.256 5.274 1.00 0.00 O ATOM 121 CB THR A 9 22.044 -12.524 6.920 1.00 0.00 C ATOM 122 OG1 THR A 9 20.979 -11.673 7.359 1.00 0.00 O ATOM 123 CG2 THR A 9 23.086 -12.649 8.021 1.00 0.00 C ATOM 0 H THR A 9 20.791 -11.795 4.723 1.00 0.00 H new ATOM 0 HA THR A 9 23.415 -11.209 5.898 1.00 0.00 H new ATOM 0 HB THR A 9 21.649 -13.516 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.584 -12.039 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.618 -13.049 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.880 -13.321 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.507 -11.667 8.237 1.00 0.00 H new ATOM 131 N SER A 10 24.015 -12.752 3.774 1.00 0.00 N ATOM 132 CA SER A 10 24.706 -13.742 2.957 1.00 0.00 C ATOM 133 C SER A 10 23.759 -14.869 2.553 1.00 0.00 C ATOM 134 O SER A 10 24.100 -16.048 2.648 1.00 0.00 O ATOM 135 CB SER A 10 25.903 -14.316 3.716 1.00 0.00 C ATOM 136 OG SER A 10 26.523 -15.356 2.980 1.00 0.00 O ATOM 0 H SER A 10 24.089 -11.795 3.429 1.00 0.00 H new ATOM 0 HA SER A 10 25.061 -13.246 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.626 -13.525 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.576 -14.696 4.684 1.00 0.00 H new ATOM 0 HG SER A 10 25.881 -16.082 2.835 1.00 0.00 H new ATOM 142 N LYS A 11 22.565 -14.496 2.102 1.00 0.00 N ATOM 143 CA LYS A 11 21.567 -15.473 1.682 1.00 0.00 C ATOM 144 C LYS A 11 22.066 -16.283 0.490 1.00 0.00 C ATOM 145 O LYS A 11 21.553 -17.364 0.201 1.00 0.00 O ATOM 146 CB LYS A 11 20.257 -14.770 1.321 1.00 0.00 C ATOM 147 CG LYS A 11 19.134 -15.032 2.311 1.00 0.00 C ATOM 148 CD LYS A 11 19.254 -14.144 3.538 1.00 0.00 C ATOM 149 CE LYS A 11 19.135 -14.951 4.822 1.00 0.00 C ATOM 150 NZ LYS A 11 17.731 -15.000 5.318 1.00 0.00 N ATOM 0 H LYS A 11 22.266 -13.525 2.018 1.00 0.00 H new ATOM 0 HA LYS A 11 21.390 -16.155 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.435 -13.696 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.940 -15.096 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.173 -14.858 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.152 -16.079 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.212 -13.625 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.477 -13.380 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.494 -15.965 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.776 -14.513 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.692 -15.559 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.396 -14.034 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.124 -15.442 4.598 1.00 0.00 H new ATOM 164 N THR A 12 23.072 -15.754 -0.200 1.00 0.00 N ATOM 165 CA THR A 12 23.641 -16.427 -1.361 1.00 0.00 C ATOM 166 C THR A 12 24.947 -15.771 -1.792 1.00 0.00 C ATOM 167 O THR A 12 25.310 -15.801 -2.968 1.00 0.00 O ATOM 168 CB THR A 12 22.661 -16.423 -2.549 1.00 0.00 C ATOM 169 OG1 THR A 12 23.171 -17.241 -3.608 1.00 0.00 O ATOM 170 CG2 THR A 12 22.434 -15.008 -3.058 1.00 0.00 C ATOM 0 H THR A 12 23.510 -14.861 0.026 1.00 0.00 H new ATOM 0 HA THR A 12 23.836 -17.457 -1.064 1.00 0.00 H new ATOM 0 HB THR A 12 21.708 -16.826 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.110 -17.013 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.739 -15.030 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.018 -14.396 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.383 -14.582 -3.384 1.00 0.00 H new ATOM 178 N TYR A 13 25.651 -15.178 -0.834 1.00 0.00 N ATOM 179 CA TYR A 13 26.917 -14.513 -1.115 1.00 0.00 C ATOM 180 C TYR A 13 27.890 -15.462 -1.808 1.00 0.00 C ATOM 181 O TYR A 13 28.268 -15.250 -2.960 1.00 0.00 O ATOM 182 CB TYR A 13 27.538 -13.984 0.178 1.00 0.00 C ATOM 183 CG TYR A 13 29.029 -13.748 0.083 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.536 -12.656 -0.610 1.00 0.00 C ATOM 185 CD2 TYR A 13 29.930 -14.619 0.683 1.00 0.00 C ATOM 186 CE1 TYR A 13 30.897 -12.437 -0.700 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.292 -14.408 0.599 1.00 0.00 C ATOM 188 CZ TYR A 13 31.771 -13.315 -0.094 1.00 0.00 C ATOM 189 OH TYR A 13 33.128 -13.102 -0.182 1.00 0.00 O ATOM 0 H TYR A 13 25.366 -15.145 0.145 1.00 0.00 H new ATOM 0 HA TYR A 13 26.717 -13.676 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.048 -13.049 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.342 -14.693 0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 13 28.855 -11.967 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.558 -15.476 1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.275 -11.583 -1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.978 -15.094 1.073 1.00 0.00 H new ATOM 0 HH TYR A 13 33.304 -12.141 -0.252 1.00 0.00 H new ATOM 199 N SER A 14 28.290 -16.512 -1.097 1.00 0.00 N ATOM 200 CA SER A 14 29.221 -17.493 -1.641 1.00 0.00 C ATOM 201 C SER A 14 30.572 -16.853 -1.942 1.00 0.00 C ATOM 202 O SER A 14 30.679 -15.634 -2.069 1.00 0.00 O ATOM 203 CB SER A 14 28.647 -18.121 -2.913 1.00 0.00 C ATOM 204 OG SER A 14 29.370 -19.285 -3.278 1.00 0.00 O ATOM 0 H SER A 14 27.984 -16.705 -0.143 1.00 0.00 H new ATOM 0 HA SER A 14 29.367 -18.272 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.599 -18.374 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.682 -17.397 -3.727 1.00 0.00 H new ATOM 0 HG SER A 14 28.983 -19.669 -4.092 1.00 0.00 H new ATOM 210 N GLY A 15 31.603 -17.685 -2.054 1.00 0.00 N ATOM 211 CA GLY A 15 32.935 -17.182 -2.338 1.00 0.00 C ATOM 212 C GLY A 15 33.712 -16.856 -1.079 1.00 0.00 C ATOM 213 O GLY A 15 33.140 -16.765 0.008 1.00 0.00 O ATOM 0 H GLY A 15 31.540 -18.698 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.484 -17.924 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.858 -16.287 -2.956 1.00 0.00 H new ATOM 217 N LYS A 16 35.021 -16.680 -1.223 1.00 0.00 N ATOM 218 CA LYS A 16 35.880 -16.362 -0.088 1.00 0.00 C ATOM 219 C LYS A 16 35.478 -15.033 0.543 1.00 0.00 C ATOM 220 O LYS A 16 35.565 -13.981 -0.091 1.00 0.00 O ATOM 221 CB LYS A 16 37.344 -16.306 -0.531 1.00 0.00 C ATOM 222 CG LYS A 16 37.580 -15.421 -1.742 1.00 0.00 C ATOM 223 CD LYS A 16 38.613 -14.344 -1.453 1.00 0.00 C ATOM 224 CE LYS A 16 40.020 -14.819 -1.781 1.00 0.00 C ATOM 225 NZ LYS A 16 40.260 -14.871 -3.250 1.00 0.00 N ATOM 0 H LYS A 16 35.511 -16.752 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 16 35.762 -17.148 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.952 -15.943 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.685 -17.316 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.915 -16.032 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.641 -14.955 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.384 -13.452 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.560 -14.060 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.746 -14.151 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 16 40.178 -15.808 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.281 -14.949 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.773 -15.697 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.894 -14.004 -3.692 1.00 0.00 H new ATOM 239 N CYS A 17 35.039 -15.088 1.796 1.00 0.00 N ATOM 240 CA CYS A 17 34.624 -13.889 2.514 1.00 0.00 C ATOM 241 C CYS A 17 35.694 -12.805 2.428 1.00 0.00 C ATOM 242 O CYS A 17 36.889 -13.090 2.516 1.00 0.00 O ATOM 243 CB CYS A 17 34.336 -14.221 3.980 1.00 0.00 C ATOM 244 SG CYS A 17 34.125 -12.759 5.046 1.00 0.00 S ATOM 0 H CYS A 17 34.961 -15.950 2.335 1.00 0.00 H new ATOM 0 HA CYS A 17 33.713 -13.514 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.433 -14.829 4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.153 -14.828 4.371 1.00 0.00 H new ATOM 249 N ASP A 18 35.258 -11.562 2.255 1.00 0.00 N ATOM 250 CA ASP A 18 36.178 -10.435 2.158 1.00 0.00 C ATOM 251 C ASP A 18 35.450 -9.117 2.402 1.00 0.00 C ATOM 252 O ASP A 18 34.302 -9.103 2.844 1.00 0.00 O ATOM 253 CB ASP A 18 36.849 -10.414 0.784 1.00 0.00 C ATOM 254 CG ASP A 18 38.359 -10.313 0.879 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.854 -9.755 1.880 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.044 -10.792 -0.048 1.00 0.00 O ATOM 0 H ASP A 18 34.273 -11.309 2.179 1.00 0.00 H new ATOM 0 HA ASP A 18 36.943 -10.555 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.582 -11.319 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.467 -9.571 0.209 1.00 0.00 H new ATOM 261 N ASN A 19 36.126 -8.010 2.112 1.00 0.00 N ATOM 262 CA ASN A 19 35.545 -6.687 2.302 1.00 0.00 C ATOM 263 C ASN A 19 34.879 -6.196 1.020 1.00 0.00 C ATOM 264 O ASN A 19 33.656 -6.072 0.950 1.00 0.00 O ATOM 265 CB ASN A 19 36.620 -5.693 2.744 1.00 0.00 C ATOM 266 CG ASN A 19 37.169 -6.010 4.122 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.372 -6.210 4.292 1.00 0.00 O ATOM 268 ND2 ASN A 19 36.287 -6.057 5.114 1.00 0.00 N ATOM 0 H ASN A 19 37.077 -8.004 1.744 1.00 0.00 H new ATOM 0 HA ASN A 19 34.785 -6.760 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.436 -5.699 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.202 -4.686 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 19 36.597 -6.266 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.299 -5.885 4.927 1.00 0.00 H new ATOM 275 N LYS A 20 35.693 -5.919 0.006 1.00 0.00 N ATOM 276 CA LYS A 20 35.185 -5.444 -1.275 1.00 0.00 C ATOM 277 C LYS A 20 34.397 -6.538 -1.988 1.00 0.00 C ATOM 278 O LYS A 20 33.422 -6.262 -2.686 1.00 0.00 O ATOM 279 CB LYS A 20 36.340 -4.972 -2.161 1.00 0.00 C ATOM 280 CG LYS A 20 35.943 -3.891 -3.153 1.00 0.00 C ATOM 281 CD LYS A 20 35.944 -4.416 -4.579 1.00 0.00 C ATOM 282 CE LYS A 20 37.095 -3.835 -5.386 1.00 0.00 C ATOM 283 NZ LYS A 20 37.044 -2.348 -5.434 1.00 0.00 N ATOM 0 H LYS A 20 36.708 -6.016 0.047 1.00 0.00 H new ATOM 0 HA LYS A 20 34.515 -4.605 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.143 -4.595 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.740 -5.826 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.951 -3.514 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.633 -3.051 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 36.019 -5.503 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 20 34.998 -4.167 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 20 38.042 -4.152 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.064 -4.232 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 37.493 -2.013 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 36.053 -2.034 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.550 -1.957 -4.614 1.00 0.00 H new ATOM 297 N LYS A 21 34.826 -7.783 -1.807 1.00 0.00 N ATOM 298 CA LYS A 21 34.160 -8.920 -2.430 1.00 0.00 C ATOM 299 C LYS A 21 32.720 -9.043 -1.941 1.00 0.00 C ATOM 300 O LYS A 21 31.807 -9.295 -2.727 1.00 0.00 O ATOM 301 CB LYS A 21 34.924 -10.212 -2.129 1.00 0.00 C ATOM 302 CG LYS A 21 36.297 -10.272 -2.776 1.00 0.00 C ATOM 303 CD LYS A 21 36.209 -10.131 -4.286 1.00 0.00 C ATOM 304 CE LYS A 21 36.451 -8.695 -4.727 1.00 0.00 C ATOM 305 NZ LYS A 21 37.636 -8.582 -5.621 1.00 0.00 N ATOM 0 H LYS A 21 35.633 -8.030 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 21 34.146 -8.755 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.036 -10.315 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.333 -11.062 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.926 -9.479 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.777 -11.218 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.942 -10.786 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.226 -10.456 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.568 -8.320 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.597 -8.065 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.767 -7.589 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.483 -8.916 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.487 -9.163 -6.471 1.00 0.00 H new ATOM 319 N CYS A 22 32.525 -8.861 -0.640 1.00 0.00 N ATOM 320 CA CYS A 22 31.197 -8.950 -0.045 1.00 0.00 C ATOM 321 C CYS A 22 30.313 -7.798 -0.515 1.00 0.00 C ATOM 322 O CYS A 22 29.208 -8.013 -1.013 1.00 0.00 O ATOM 323 CB CYS A 22 31.296 -8.942 1.481 1.00 0.00 C ATOM 324 SG CYS A 22 30.704 -10.471 2.273 1.00 0.00 S ATOM 0 H CYS A 22 33.271 -8.651 0.023 1.00 0.00 H new ATOM 0 HA CYS A 22 30.744 -9.888 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.335 -8.777 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.722 -8.100 1.867 1.00 0.00 H new ATOM 329 N ASP A 23 30.807 -6.576 -0.352 1.00 0.00 N ATOM 330 CA ASP A 23 30.064 -5.390 -0.759 1.00 0.00 C ATOM 331 C ASP A 23 29.651 -5.484 -2.225 1.00 0.00 C ATOM 332 O ASP A 23 28.474 -5.348 -2.560 1.00 0.00 O ATOM 333 CB ASP A 23 30.904 -4.132 -0.534 1.00 0.00 C ATOM 334 CG ASP A 23 30.053 -2.889 -0.368 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.819 -2.989 -0.532 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.621 -1.815 -0.074 1.00 0.00 O ATOM 0 H ASP A 23 31.720 -6.381 0.060 1.00 0.00 H new ATOM 0 HA ASP A 23 29.163 -5.330 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.523 -4.266 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.581 -3.995 -1.377 1.00 0.00 H new ATOM 341 N LYS A 24 30.627 -5.717 -3.096 1.00 0.00 N ATOM 342 CA LYS A 24 30.366 -5.831 -4.526 1.00 0.00 C ATOM 343 C LYS A 24 29.396 -6.972 -4.813 1.00 0.00 C ATOM 344 O LYS A 24 28.434 -6.808 -5.564 1.00 0.00 O ATOM 345 CB LYS A 24 31.675 -6.056 -5.287 1.00 0.00 C ATOM 346 CG LYS A 24 31.476 -6.355 -6.763 1.00 0.00 C ATOM 347 CD LYS A 24 32.801 -6.597 -7.466 1.00 0.00 C ATOM 348 CE LYS A 24 32.683 -7.693 -8.514 1.00 0.00 C ATOM 349 NZ LYS A 24 32.924 -7.173 -9.889 1.00 0.00 N ATOM 0 H LYS A 24 31.607 -5.831 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 24 29.912 -4.899 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.302 -5.170 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.216 -6.883 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.838 -7.232 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.958 -5.521 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.137 -5.674 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.558 -6.873 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.399 -8.485 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.690 -8.139 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.526 -7.841 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.016 -7.065 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.399 -6.250 -9.833 1.00 0.00 H new ATOM 363 N LYS A 25 29.653 -8.128 -4.211 1.00 0.00 N ATOM 364 CA LYS A 25 28.802 -9.296 -4.399 1.00 0.00 C ATOM 365 C LYS A 25 27.383 -9.019 -3.913 1.00 0.00 C ATOM 366 O LYS A 25 26.418 -9.591 -4.422 1.00 0.00 O ATOM 367 CB LYS A 25 29.381 -10.501 -3.655 1.00 0.00 C ATOM 368 CG LYS A 25 28.645 -11.800 -3.935 1.00 0.00 C ATOM 369 CD LYS A 25 29.428 -12.691 -4.884 1.00 0.00 C ATOM 370 CE LYS A 25 30.685 -13.238 -4.226 1.00 0.00 C ATOM 371 NZ LYS A 25 31.243 -14.399 -4.975 1.00 0.00 N ATOM 0 H LYS A 25 30.446 -8.281 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 25 28.765 -9.519 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.428 -10.620 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.355 -10.302 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.470 -12.329 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 25 27.667 -11.580 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 25 28.798 -13.518 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.699 -12.125 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 25 31.436 -12.450 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.458 -13.541 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 32.099 -14.743 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 30.536 -15.161 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 31.484 -14.104 -5.943 1.00 0.00 H new ATOM 385 N CYS A 26 27.262 -8.138 -2.925 1.00 0.00 N ATOM 386 CA CYS A 26 25.962 -7.784 -2.370 1.00 0.00 C ATOM 387 C CYS A 26 25.138 -6.987 -3.378 1.00 0.00 C ATOM 388 O CYS A 26 23.950 -7.248 -3.570 1.00 0.00 O ATOM 389 CB CYS A 26 26.136 -6.974 -1.084 1.00 0.00 C ATOM 390 SG CYS A 26 26.454 -7.989 0.396 1.00 0.00 S ATOM 0 H CYS A 26 28.050 -7.656 -2.492 1.00 0.00 H new ATOM 0 HA CYS A 26 25.430 -8.707 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.962 -6.275 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.238 -6.379 -0.918 1.00 0.00 H new ATOM 395 N ILE A 27 25.778 -6.015 -4.019 1.00 0.00 N ATOM 396 CA ILE A 27 25.106 -5.181 -5.008 1.00 0.00 C ATOM 397 C ILE A 27 25.016 -5.890 -6.355 1.00 0.00 C ATOM 398 O ILE A 27 24.204 -5.527 -7.205 1.00 0.00 O ATOM 399 CB ILE A 27 25.832 -3.836 -5.197 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.154 -3.211 -3.838 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.984 -2.889 -6.033 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.622 -2.895 -3.651 1.00 0.00 C ATOM 0 H ILE A 27 26.761 -5.786 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 27 24.101 -4.993 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 27 26.768 -4.016 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.576 -2.294 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.834 -3.891 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.511 -1.943 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.799 -3.333 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 27 24.033 -2.712 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.777 -2.455 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.205 -3.812 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.943 -2.190 -4.418 1.00 0.00 H new ATOM 414 N GLU A 28 25.855 -6.905 -6.541 1.00 0.00 N ATOM 415 CA GLU A 28 25.868 -7.665 -7.785 1.00 0.00 C ATOM 416 C GLU A 28 24.852 -8.803 -7.738 1.00 0.00 C ATOM 417 O GLU A 28 24.215 -9.122 -8.742 1.00 0.00 O ATOM 418 CB GLU A 28 27.267 -8.227 -8.050 1.00 0.00 C ATOM 419 CG GLU A 28 28.219 -7.221 -8.674 1.00 0.00 C ATOM 420 CD GLU A 28 28.901 -7.757 -9.918 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.232 -8.459 -10.705 1.00 0.00 O ATOM 422 OE2 GLU A 28 30.103 -7.477 -10.104 1.00 0.00 O ATOM 0 H GLU A 28 26.533 -7.219 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 28 25.595 -6.990 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.691 -8.581 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.183 -9.092 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.669 -6.315 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.976 -6.940 -7.942 1.00 0.00 H new ATOM 429 N TRP A 29 24.707 -9.410 -6.566 1.00 0.00 N ATOM 430 CA TRP A 29 23.768 -10.513 -6.388 1.00 0.00 C ATOM 431 C TRP A 29 22.504 -10.042 -5.678 1.00 0.00 C ATOM 432 O TRP A 29 21.391 -10.342 -6.110 1.00 0.00 O ATOM 433 CB TRP A 29 24.423 -11.643 -5.593 1.00 0.00 C ATOM 434 CG TRP A 29 25.462 -12.393 -6.372 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.414 -11.859 -7.193 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.651 -13.811 -6.403 1.00 0.00 C ATOM 437 NE1 TRP A 29 27.184 -12.861 -7.733 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.737 -14.068 -7.263 1.00 0.00 C ATOM 439 CE3 TRP A 29 25.011 -14.890 -5.787 1.00 0.00 C ATOM 440 CZ2 TRP A 29 27.193 -15.358 -7.522 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.465 -16.170 -6.044 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.547 -16.395 -6.905 1.00 0.00 C ATOM 0 H TRP A 29 25.227 -9.158 -5.725 1.00 0.00 H new ATOM 0 HA TRP A 29 23.491 -10.885 -7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.882 -11.228 -4.696 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.652 -12.340 -5.264 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.543 -10.805 -7.389 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.962 -12.728 -8.379 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.176 -14.727 -5.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 28.026 -15.534 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 24.977 -17.011 -5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.878 -17.407 -7.086 1.00 0.00 H new ATOM 453 N GLU A 30 22.682 -9.303 -4.588 1.00 0.00 N ATOM 454 CA GLU A 30 21.553 -8.791 -3.819 1.00 0.00 C ATOM 455 C GLU A 30 21.200 -7.371 -4.251 1.00 0.00 C ATOM 456 O GLU A 30 20.239 -6.781 -3.757 1.00 0.00 O ATOM 457 CB GLU A 30 21.874 -8.816 -2.323 1.00 0.00 C ATOM 458 CG GLU A 30 22.739 -9.993 -1.906 1.00 0.00 C ATOM 459 CD GLU A 30 22.254 -11.308 -2.482 1.00 0.00 C ATOM 460 OE1 GLU A 30 21.038 -11.431 -2.741 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.090 -12.216 -2.675 1.00 0.00 O ATOM 0 H GLU A 30 23.597 -9.045 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 30 20.694 -9.434 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.381 -7.890 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.941 -8.844 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.765 -9.816 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.753 -10.061 -0.818 1.00 0.00 H new ATOM 468 N LYS A 31 21.983 -6.828 -5.177 1.00 0.00 N ATOM 469 CA LYS A 31 21.754 -5.478 -5.678 1.00 0.00 C ATOM 470 C LYS A 31 21.465 -4.514 -4.531 1.00 0.00 C ATOM 471 O LYS A 31 20.664 -3.591 -4.672 1.00 0.00 O ATOM 472 CB LYS A 31 20.589 -5.471 -6.670 1.00 0.00 C ATOM 473 CG LYS A 31 20.826 -6.342 -7.892 1.00 0.00 C ATOM 474 CD LYS A 31 21.831 -5.712 -8.841 1.00 0.00 C ATOM 475 CE LYS A 31 22.738 -6.759 -9.468 1.00 0.00 C ATOM 476 NZ LYS A 31 22.645 -6.754 -10.954 1.00 0.00 N ATOM 0 H LYS A 31 22.783 -7.303 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 31 22.659 -5.148 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.687 -5.811 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.405 -4.447 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.186 -7.321 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.883 -6.502 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 21.302 -5.170 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.435 -4.982 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.769 -6.573 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.469 -7.746 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.278 -7.481 -11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.666 -6.957 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.926 -5.820 -11.316 1.00 0.00 H new ATOM 490 N ALA A 32 22.123 -4.735 -3.398 1.00 0.00 N ATOM 491 CA ALA A 32 21.939 -3.884 -2.229 1.00 0.00 C ATOM 492 C ALA A 32 22.732 -2.589 -2.362 1.00 0.00 C ATOM 493 O ALA A 32 23.323 -2.318 -3.407 1.00 0.00 O ATOM 494 CB ALA A 32 22.346 -4.628 -0.966 1.00 0.00 C ATOM 0 H ALA A 32 22.789 -5.496 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 32 20.882 -3.626 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.204 -3.981 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.731 -5.521 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.395 -4.916 -1.035 1.00 0.00 H new ATOM 500 N GLN A 33 22.740 -1.793 -1.298 1.00 0.00 N ATOM 501 CA GLN A 33 23.460 -0.525 -1.298 1.00 0.00 C ATOM 502 C GLN A 33 24.851 -0.689 -0.695 1.00 0.00 C ATOM 503 O GLN A 33 25.841 -0.210 -1.251 1.00 0.00 O ATOM 504 CB GLN A 33 22.675 0.531 -0.519 1.00 0.00 C ATOM 505 CG GLN A 33 22.179 1.680 -1.382 1.00 0.00 C ATOM 506 CD GLN A 33 23.274 2.674 -1.716 1.00 0.00 C ATOM 507 OE1 GLN A 33 24.273 2.778 -1.003 1.00 0.00 O ATOM 508 NE2 GLN A 33 23.092 3.413 -2.805 1.00 0.00 N ATOM 0 H GLN A 33 22.256 -2.003 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 33 23.569 -0.198 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.821 0.055 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.307 0.930 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.761 1.281 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.371 2.196 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.249 3.294 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.795 4.099 -3.079 1.00 0.00 H new ATOM 517 N HIS A 34 24.920 -1.369 0.445 1.00 0.00 N ATOM 518 CA HIS A 34 26.191 -1.597 1.124 1.00 0.00 C ATOM 519 C HIS A 34 26.283 -3.030 1.638 1.00 0.00 C ATOM 520 O HIS A 34 25.267 -3.684 1.869 1.00 0.00 O ATOM 521 CB HIS A 34 26.357 -0.614 2.284 1.00 0.00 C ATOM 522 CG HIS A 34 27.389 0.442 2.031 1.00 0.00 C ATOM 523 ND1 HIS A 34 27.286 1.366 1.013 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.548 0.718 2.673 1.00 0.00 C ATOM 525 CE1 HIS A 34 28.338 2.165 1.038 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.119 1.793 2.036 1.00 0.00 N ATOM 0 H HIS A 34 24.111 -1.772 0.918 1.00 0.00 H new ATOM 0 HA HIS A 34 26.994 -1.436 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.399 -0.134 2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.628 -1.168 3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 34 26.518 1.424 0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.949 0.192 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 34 28.527 2.983 0.358 1.00 0.00 H new ATOM 534 N GLY A 35 27.510 -3.513 1.816 1.00 0.00 N ATOM 535 CA GLY A 35 27.711 -4.865 2.301 1.00 0.00 C ATOM 536 C GLY A 35 29.025 -5.026 3.041 1.00 0.00 C ATOM 537 O GLY A 35 30.004 -4.346 2.736 1.00 0.00 O ATOM 0 H GLY A 35 28.367 -2.991 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.889 -5.136 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.684 -5.557 1.460 1.00 0.00 H new ATOM 541 N ALA A 36 29.046 -5.928 4.017 1.00 0.00 N ATOM 542 CA ALA A 36 30.248 -6.176 4.802 1.00 0.00 C ATOM 543 C ALA A 36 30.314 -7.628 5.262 1.00 0.00 C ATOM 544 O ALA A 36 29.307 -8.338 5.256 1.00 0.00 O ATOM 545 CB ALA A 36 30.300 -5.238 5.999 1.00 0.00 C ATOM 0 H ALA A 36 28.244 -6.499 4.283 1.00 0.00 H new ATOM 0 HA ALA A 36 31.113 -5.984 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.203 -5.435 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.309 -4.205 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.425 -5.402 6.628 1.00 0.00 H new ATOM 551 N CYS A 37 31.504 -8.065 5.661 1.00 0.00 N ATOM 552 CA CYS A 37 31.701 -9.433 6.124 1.00 0.00 C ATOM 553 C CYS A 37 32.246 -9.452 7.549 1.00 0.00 C ATOM 554 O CYS A 37 32.947 -8.531 7.969 1.00 0.00 O ATOM 555 CB CYS A 37 32.658 -10.176 5.190 1.00 0.00 C ATOM 556 SG CYS A 37 32.333 -11.964 5.062 1.00 0.00 S ATOM 0 H CYS A 37 32.347 -7.491 5.673 1.00 0.00 H new ATOM 0 HA CYS A 37 30.734 -9.936 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.595 -9.734 4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.679 -10.027 5.540 1.00 0.00 H new ATOM 561 N HIS A 38 31.920 -10.508 8.287 1.00 0.00 N ATOM 562 CA HIS A 38 32.378 -10.648 9.665 1.00 0.00 C ATOM 563 C HIS A 38 32.478 -12.119 10.058 1.00 0.00 C ATOM 564 O HIS A 38 31.837 -12.979 9.453 1.00 0.00 O ATOM 565 CB HIS A 38 31.429 -9.918 10.617 1.00 0.00 C ATOM 566 CG HIS A 38 31.925 -9.859 12.029 1.00 0.00 C ATOM 567 ND1 HIS A 38 33.153 -9.336 12.374 1.00 0.00 N ATOM 568 CD2 HIS A 38 31.349 -10.261 13.186 1.00 0.00 C ATOM 569 CE1 HIS A 38 33.312 -9.420 13.683 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.232 -9.977 14.200 1.00 0.00 N ATOM 0 H HIS A 38 31.341 -11.279 7.954 1.00 0.00 H new ATOM 0 HA HIS A 38 33.370 -10.202 9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.273 -8.903 10.253 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.459 -10.415 10.602 1.00 0.00 H new ATOM 0 HD2 HIS A 38 30.377 -10.719 13.292 1.00 0.00 H new ATOM 0 HE1 HIS A 38 34.178 -9.089 14.236 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.078 -10.166 15.191 1.00 0.00 H new ATOM 578 N LYS A 39 33.287 -12.401 11.073 1.00 0.00 N ATOM 579 CA LYS A 39 33.471 -13.768 11.548 1.00 0.00 C ATOM 580 C LYS A 39 32.454 -14.110 12.632 1.00 0.00 C ATOM 581 O LYS A 39 32.307 -13.378 13.611 1.00 0.00 O ATOM 582 CB LYS A 39 34.891 -13.954 12.088 1.00 0.00 C ATOM 583 CG LYS A 39 35.340 -15.405 12.129 1.00 0.00 C ATOM 584 CD LYS A 39 34.881 -16.095 13.402 1.00 0.00 C ATOM 585 CE LYS A 39 36.052 -16.701 14.161 1.00 0.00 C ATOM 586 NZ LYS A 39 35.706 -16.982 15.582 1.00 0.00 N ATOM 0 H LYS A 39 33.826 -11.701 11.583 1.00 0.00 H new ATOM 0 HA LYS A 39 33.317 -14.443 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.584 -13.385 11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 34.946 -13.537 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.942 -15.934 11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.427 -15.453 12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.365 -15.378 14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.163 -16.877 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.362 -17.625 13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.902 -16.020 14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 36.530 -17.394 16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 35.435 -16.096 16.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 34.912 -17.652 15.620 1.00 0.00 H new ATOM 600 N ARG A 40 31.756 -15.226 12.451 1.00 0.00 N ATOM 601 CA ARG A 40 30.753 -15.664 13.414 1.00 0.00 C ATOM 602 C ARG A 40 30.752 -17.184 13.544 1.00 0.00 C ATOM 603 O ARG A 40 31.479 -17.878 12.834 1.00 0.00 O ATOM 604 CB ARG A 40 29.365 -15.176 12.995 1.00 0.00 C ATOM 605 CG ARG A 40 28.971 -13.849 13.622 1.00 0.00 C ATOM 606 CD ARG A 40 28.498 -14.029 15.056 1.00 0.00 C ATOM 607 NE ARG A 40 28.741 -12.838 15.866 1.00 0.00 N ATOM 608 CZ ARG A 40 28.026 -11.723 15.765 1.00 0.00 C ATOM 609 NH1 ARG A 40 27.029 -11.647 14.894 1.00 0.00 N ATOM 610 NH2 ARG A 40 28.308 -10.681 16.537 1.00 0.00 N ATOM 0 H ARG A 40 31.866 -15.843 11.647 1.00 0.00 H new ATOM 0 HA ARG A 40 31.004 -15.234 14.383 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.336 -15.078 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.627 -15.930 13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.822 -13.169 13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.179 -13.387 13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.433 -14.259 15.060 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.010 -14.882 15.502 1.00 0.00 H new ATOM 0 HE ARG A 40 29.501 -12.864 16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 40 26.809 -12.446 14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.482 -10.790 14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.074 -10.736 17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 40 27.759 -9.825 16.459 1.00 0.00 H new ATOM 624 N GLU A 41 29.930 -17.695 14.456 1.00 0.00 N ATOM 625 CA GLU A 41 29.836 -19.133 14.679 1.00 0.00 C ATOM 626 C GLU A 41 31.211 -19.731 14.961 1.00 0.00 C ATOM 627 O GLU A 41 32.185 -19.006 15.165 1.00 0.00 O ATOM 628 CB GLU A 41 29.208 -19.820 13.464 1.00 0.00 C ATOM 629 CG GLU A 41 27.888 -19.205 13.031 1.00 0.00 C ATOM 630 CD GLU A 41 27.459 -19.657 11.649 1.00 0.00 C ATOM 631 OE1 GLU A 41 27.339 -20.882 11.436 1.00 0.00 O ATOM 632 OE2 GLU A 41 27.242 -18.786 10.781 1.00 0.00 O ATOM 0 H GLU A 41 29.320 -17.135 15.052 1.00 0.00 H new ATOM 0 HA GLU A 41 29.201 -19.299 15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.909 -19.778 12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 41 29.050 -20.874 13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.114 -19.470 13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.977 -18.119 13.043 1.00 0.00 H new ATOM 639 N ALA A 42 31.282 -21.058 14.971 1.00 0.00 N ATOM 640 CA ALA A 42 32.537 -21.754 15.227 1.00 0.00 C ATOM 641 C ALA A 42 33.634 -21.271 14.284 1.00 0.00 C ATOM 642 O ALA A 42 34.810 -21.245 14.646 1.00 0.00 O ATOM 643 CB ALA A 42 32.344 -23.257 15.090 1.00 0.00 C ATOM 0 H ALA A 42 30.485 -21.673 14.805 1.00 0.00 H new ATOM 0 HA ALA A 42 32.847 -21.530 16.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.289 -23.764 15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.597 -23.595 15.808 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.008 -23.490 14.080 1.00 0.00 H new ATOM 649 N GLY A 43 33.242 -20.890 13.072 1.00 0.00 N ATOM 650 CA GLY A 43 34.205 -20.414 12.097 1.00 0.00 C ATOM 651 C GLY A 43 33.562 -20.069 10.768 1.00 0.00 C ATOM 652 O GLY A 43 34.172 -20.236 9.712 1.00 0.00 O ATOM 0 H GLY A 43 32.275 -20.903 12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.712 -19.533 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.967 -21.177 11.941 1.00 0.00 H new ATOM 656 N LYS A 44 32.324 -19.588 10.818 1.00 0.00 N ATOM 657 CA LYS A 44 31.596 -19.220 9.610 1.00 0.00 C ATOM 658 C LYS A 44 31.451 -17.705 9.503 1.00 0.00 C ATOM 659 O LYS A 44 30.959 -17.054 10.424 1.00 0.00 O ATOM 660 CB LYS A 44 30.214 -19.877 9.602 1.00 0.00 C ATOM 661 CG LYS A 44 30.213 -21.299 10.137 1.00 0.00 C ATOM 662 CD LYS A 44 31.070 -22.217 9.282 1.00 0.00 C ATOM 663 CE LYS A 44 31.393 -23.514 10.007 1.00 0.00 C ATOM 664 NZ LYS A 44 30.575 -24.651 9.501 1.00 0.00 N ATOM 0 H LYS A 44 31.804 -19.444 11.683 1.00 0.00 H new ATOM 0 HA LYS A 44 32.165 -19.575 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.530 -19.273 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.829 -19.881 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.584 -21.303 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 44 29.191 -21.677 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 44 30.549 -22.440 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 44 31.996 -21.708 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 32.451 -23.745 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 44 31.217 -23.387 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.825 -25.517 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.566 -24.442 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.762 -24.789 8.487 1.00 0.00 H new ATOM 678 N GLU A 45 31.881 -17.152 8.373 1.00 0.00 N ATOM 679 CA GLU A 45 31.798 -15.714 8.148 1.00 0.00 C ATOM 680 C GLU A 45 30.439 -15.332 7.568 1.00 0.00 C ATOM 681 O GLU A 45 29.963 -15.949 6.615 1.00 0.00 O ATOM 682 CB GLU A 45 32.913 -15.258 7.204 1.00 0.00 C ATOM 683 CG GLU A 45 34.065 -14.567 7.913 1.00 0.00 C ATOM 684 CD GLU A 45 35.405 -14.847 7.259 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.669 -16.022 6.930 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.187 -13.891 7.077 1.00 0.00 O ATOM 0 H GLU A 45 32.290 -17.677 7.600 1.00 0.00 H new ATOM 0 HA GLU A 45 31.918 -15.214 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.297 -16.123 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.494 -14.579 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.888 -13.492 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.096 -14.895 8.952 1.00 0.00 H new ATOM 693 N SER A 46 29.819 -14.312 8.152 1.00 0.00 N ATOM 694 CA SER A 46 28.512 -13.850 7.697 1.00 0.00 C ATOM 695 C SER A 46 28.631 -12.513 6.972 1.00 0.00 C ATOM 696 O SER A 46 29.434 -11.658 7.347 1.00 0.00 O ATOM 697 CB SER A 46 27.554 -13.716 8.883 1.00 0.00 C ATOM 698 OG SER A 46 28.239 -13.285 10.046 1.00 0.00 O ATOM 0 H SER A 46 30.200 -13.790 8.941 1.00 0.00 H new ATOM 0 HA SER A 46 28.115 -14.588 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 46 26.764 -13.006 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.072 -14.675 9.075 1.00 0.00 H new ATOM 0 HG SER A 46 27.605 -13.206 10.789 1.00 0.00 H new ATOM 704 N CYS A 47 27.825 -12.339 5.929 1.00 0.00 N ATOM 705 CA CYS A 47 27.839 -11.108 5.149 1.00 0.00 C ATOM 706 C CYS A 47 26.523 -10.351 5.305 1.00 0.00 C ATOM 707 O CYS A 47 25.456 -10.859 4.959 1.00 0.00 O ATOM 708 CB CYS A 47 28.088 -11.419 3.672 1.00 0.00 C ATOM 709 SG CYS A 47 28.808 -10.034 2.732 1.00 0.00 S ATOM 0 H CYS A 47 27.154 -13.036 5.605 1.00 0.00 H new ATOM 0 HA CYS A 47 28.647 -10.479 5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.755 -12.278 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.145 -11.707 3.208 1.00 0.00 H new ATOM 714 N PHE A 48 26.607 -9.132 5.829 1.00 0.00 N ATOM 715 CA PHE A 48 25.424 -8.305 6.032 1.00 0.00 C ATOM 716 C PHE A 48 25.407 -7.131 5.057 1.00 0.00 C ATOM 717 O PHE A 48 26.377 -6.379 4.955 1.00 0.00 O ATOM 718 CB PHE A 48 25.378 -7.787 7.471 1.00 0.00 C ATOM 719 CG PHE A 48 26.719 -7.362 7.998 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.588 -8.290 8.548 1.00 0.00 C ATOM 721 CD2 PHE A 48 27.109 -6.033 7.944 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.823 -7.902 9.033 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.343 -5.639 8.427 1.00 0.00 C ATOM 724 CZ PHE A 48 29.200 -6.574 8.973 1.00 0.00 C ATOM 0 H PHE A 48 27.482 -8.696 6.120 1.00 0.00 H new ATOM 0 HA PHE A 48 24.545 -8.922 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.692 -6.942 7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.973 -8.566 8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.297 -9.329 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.442 -5.297 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.492 -8.636 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.636 -4.601 8.377 1.00 0.00 H new ATOM 0 HZ PHE A 48 30.164 -6.268 9.353 1.00 0.00 H new ATOM 734 N CYS A 49 24.298 -6.980 4.341 1.00 0.00 N ATOM 735 CA CYS A 49 24.153 -5.900 3.373 1.00 0.00 C ATOM 736 C CYS A 49 22.885 -5.094 3.643 1.00 0.00 C ATOM 737 O CYS A 49 21.882 -5.633 4.110 1.00 0.00 O ATOM 738 CB CYS A 49 24.119 -6.462 1.950 1.00 0.00 C ATOM 739 SG CYS A 49 25.094 -7.985 1.730 1.00 0.00 S ATOM 0 H CYS A 49 23.486 -7.593 4.413 1.00 0.00 H new ATOM 0 HA CYS A 49 25.013 -5.238 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.084 -6.663 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.490 -5.703 1.262 1.00 0.00 H new ATOM 744 N TYR A 50 22.939 -3.801 3.345 1.00 0.00 N ATOM 745 CA TYR A 50 21.796 -2.920 3.557 1.00 0.00 C ATOM 746 C TYR A 50 21.281 -2.367 2.232 1.00 0.00 C ATOM 747 O TYR A 50 22.060 -1.944 1.377 1.00 0.00 O ATOM 748 CB TYR A 50 22.180 -1.768 4.488 1.00 0.00 C ATOM 749 CG TYR A 50 22.965 -2.208 5.703 1.00 0.00 C ATOM 750 CD1 TYR A 50 24.343 -2.371 5.643 1.00 0.00 C ATOM 751 CD2 TYR A 50 22.328 -2.458 6.912 1.00 0.00 C ATOM 752 CE1 TYR A 50 25.064 -2.773 6.751 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.041 -2.859 8.026 1.00 0.00 C ATOM 754 CZ TYR A 50 24.408 -3.016 7.940 1.00 0.00 C ATOM 755 OH TYR A 50 25.123 -3.415 9.046 1.00 0.00 O ATOM 0 H TYR A 50 23.761 -3.339 2.956 1.00 0.00 H new ATOM 0 HA TYR A 50 21.000 -3.504 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.769 -1.041 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 50 21.274 -1.259 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 50 24.860 -2.180 4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 50 21.257 -2.337 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 50 26.135 -2.896 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 50 22.530 -3.048 8.959 1.00 0.00 H new ATOM 0 HH TYR A 50 25.663 -4.201 8.820 1.00 0.00 H new ATOM 765 N PHE A 51 19.962 -2.373 2.068 1.00 0.00 N ATOM 766 CA PHE A 51 19.340 -1.874 0.848 1.00 0.00 C ATOM 767 C PHE A 51 17.984 -1.241 1.147 1.00 0.00 C ATOM 768 O PHE A 51 17.342 -1.569 2.145 1.00 0.00 O ATOM 769 CB PHE A 51 19.174 -3.007 -0.166 1.00 0.00 C ATOM 770 CG PHE A 51 18.638 -2.551 -1.493 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.296 -1.575 -2.223 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.474 -3.098 -2.010 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.805 -1.153 -3.444 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.979 -2.680 -3.230 1.00 0.00 C ATOM 775 CZ PHE A 51 17.644 -1.706 -3.948 1.00 0.00 C ATOM 0 H PHE A 51 19.303 -2.718 2.766 1.00 0.00 H new ATOM 0 HA PHE A 51 19.992 -1.110 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.139 -3.490 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 51 18.503 -3.759 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.204 -1.138 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 51 16.948 -3.859 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.328 -0.392 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.072 -3.115 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.257 -1.377 -4.901 1.00 0.00 H new ATOM 785 N ASP A 52 17.556 -0.334 0.277 1.00 0.00 N ATOM 786 CA ASP A 52 16.277 0.345 0.447 1.00 0.00 C ATOM 787 C ASP A 52 15.173 -0.378 -0.318 1.00 0.00 C ATOM 788 O ASP A 52 15.289 -0.615 -1.521 1.00 0.00 O ATOM 789 CB ASP A 52 16.378 1.796 -0.027 1.00 0.00 C ATOM 790 CG ASP A 52 17.103 1.922 -1.352 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.351 1.952 -1.345 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.423 1.992 -2.397 1.00 0.00 O ATOM 0 H ASP A 52 18.076 -0.052 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 52 16.026 0.335 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.376 2.215 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.899 2.386 0.727 1.00 0.00 H new ATOM 797 N CYS A 53 14.102 -0.726 0.387 1.00 0.00 N ATOM 798 CA CYS A 53 12.977 -1.424 -0.224 1.00 0.00 C ATOM 799 C CYS A 53 11.733 -0.539 -0.242 1.00 0.00 C ATOM 800 O CYS A 53 11.569 0.336 0.609 1.00 0.00 O ATOM 801 CB CYS A 53 12.682 -2.721 0.531 1.00 0.00 C ATOM 802 SG CYS A 53 13.566 -4.176 -0.117 1.00 0.00 S ATOM 0 H CYS A 53 13.989 -0.536 1.383 1.00 0.00 H new ATOM 0 HA CYS A 53 13.247 -1.664 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.946 -2.586 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.610 -2.914 0.494 1.00 0.00 H new ATOM 807 N SER A 54 10.860 -0.774 -1.216 1.00 0.00 N ATOM 808 CA SER A 54 9.633 0.003 -1.347 1.00 0.00 C ATOM 809 C SER A 54 9.921 1.497 -1.233 1.00 0.00 C ATOM 810 O SER A 54 9.116 2.258 -0.696 1.00 0.00 O ATOM 811 CB SER A 54 8.623 -0.416 -0.277 1.00 0.00 C ATOM 812 OG SER A 54 7.984 -1.632 -0.627 1.00 0.00 O ATOM 0 H SER A 54 10.980 -1.496 -1.926 1.00 0.00 H new ATOM 0 HA SER A 54 9.211 -0.194 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.130 -0.531 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.876 0.368 -0.151 1.00 0.00 H new ATOM 0 HG SER A 54 7.345 -1.879 0.074 1.00 0.00 H new ATOM 818 N LYS A 55 11.076 1.910 -1.744 1.00 0.00 N ATOM 819 CA LYS A 55 11.473 3.313 -1.702 1.00 0.00 C ATOM 820 C LYS A 55 11.638 3.790 -0.263 1.00 0.00 C ATOM 821 O LYS A 55 11.071 4.808 0.132 1.00 0.00 O ATOM 822 CB LYS A 55 10.437 4.179 -2.422 1.00 0.00 C ATOM 823 CG LYS A 55 10.082 3.675 -3.810 1.00 0.00 C ATOM 824 CD LYS A 55 8.589 3.428 -3.949 1.00 0.00 C ATOM 825 CE LYS A 55 7.790 4.701 -3.718 1.00 0.00 C ATOM 826 NZ LYS A 55 6.981 5.073 -4.912 1.00 0.00 N ATOM 0 H LYS A 55 11.754 1.293 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 55 12.433 3.408 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.531 4.224 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.818 5.197 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.402 4.403 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.625 2.752 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.375 3.038 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.277 2.666 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.131 4.565 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.470 5.517 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.451 5.946 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.612 5.227 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.314 4.306 -5.132 1.00 0.00 H new